2826 lines
124 KiB
Plaintext
2826 lines
124 KiB
Plaintext
MFCD00133935
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Mt7.00 09020221412D
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89 94 0 0 1 0 0 0 0 0999 V2000
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18.0501 7.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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17.4329 8.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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16.4429 8.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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15.8258 9.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14.8358 8.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14.2186 9.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14.5915 10.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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15.5815 10.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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16.1986 10.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.6636 11.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.5225 12.0413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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14.3094 12.6585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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15.2373 12.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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15.3783 11.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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16.0241 12.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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16.9520 12.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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16.0720 11.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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17.1525 11.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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17.1490 13.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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17.8965 13.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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18.8970 13.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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18.8970 12.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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18.1636 11.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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17.8889 12.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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16.9520 13.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.5947 12.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.4536 13.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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11.8078 11.7970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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10.8799 12.1699 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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10.7389 13.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.5257 13.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.5157 13.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.8886 14.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.2714 15.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.2814 15.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.9086 14.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.0931 11.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.2341 10.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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9.1652 11.9256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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8.3783 11.3084 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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7.4505 11.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.3094 12.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.6636 11.0641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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5.7357 11.4370 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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5.5947 12.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6668 12.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5257 13.7898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.8799 12.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.9489 10.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.0899 9.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.0210 11.1927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.2341 10.5755 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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3.3752 9.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3031 9.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3062 10.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1652 11.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.5194 10.3312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.5576 10.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 9.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6172 8.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5562 9.3319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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2.3863 8.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2843 9.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.3184 7.7766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.1485 7.2190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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4.0465 7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.8766 7.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.7745 7.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6046 6.9839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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7.5026 7.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.5705 8.4216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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8.3327 6.8663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.0806 6.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1827 5.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.9107 5.6636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.8429 4.6660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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4.6730 4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6051 3.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4352 2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3673 1.5553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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6.1974 0.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.0954 1.4378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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6.1296 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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2.9449 4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1148 4.7835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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2.8770 3.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.5194 10.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.7325 9.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.4473 9.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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2 3 1 0 0 0 0
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3 4 1 0 0 0 0
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4 5 2 0 1 0 0
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5 6 1 0 0 0 0
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6 7 2 0 2 0 0
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7 8 1 0 0 0 0
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8 9 2 0 2 0 0
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9 4 1 0 0 0 0
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7 10 1 0 0 0 0
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10 11 1 0 0 0 0
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11 12 1 0 0 0 0
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12 13 1 0 0 0 0
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13 14 2 0 0 0 0
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13 15 1 0 0 0 0
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15 16 1 0 0 0 0
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16 17 1 0 0 0 0
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17 18 1 0 0 0 0
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18 19 1 0 0 0 0
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19 20 1 0 0 0 0
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20 21 1 0 0 0 0
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21 22 1 0 0 0 0
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22 23 1 0 0 0 0
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23 18 1 0 0 0 0
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22 24 1 0 0 0 0
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24 16 1 0 0 0 0
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20 25 1 0 0 0 0
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25 16 1 0 0 0 0
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11 26 1 6 0 0 0
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26 27 2 0 0 0 0
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26 28 1 0 0 0 0
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28 29 1 0 0 0 0
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29 30 1 0 0 0 0
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30 31 1 0 0 0 0
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31 32 2 0 2 0 0
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32 33 1 0 0 0 0
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33 34 2 0 2 0 0
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34 35 1 0 0 0 0
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35 36 2 0 2 0 0
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36 31 1 0 0 0 0
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29 37 1 6 0 0 0
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37 38 2 0 0 0 0
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37 39 1 0 0 0 0
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39 40 1 0 0 0 0
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40 41 1 0 0 0 0
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41 42 2 0 0 0 0
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41 43 1 0 0 0 0
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43 44 1 0 0 0 0
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44 45 1 0 0 0 0
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45 46 1 0 0 0 0
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46 47 1 0 0 0 0
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46 48 2 0 0 0 0
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44 49 1 6 0 0 0
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49 50 2 0 0 0 0
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49 51 1 0 0 0 0
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51 52 1 0 0 0 0
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52 53 1 0 0 0 0
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53 54 1 0 0 0 0
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52 55 1 1 0 0 0
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55 56 2 0 0 0 0
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55 57 1 0 0 0 0
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57 58 1 0 0 0 0
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58 59 1 0 0 0 0
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59 60 1 0 0 0 0
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60 61 1 0 0 0 0
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61 57 1 0 0 0 0
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61 62 1 6 0 0 0
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62 63 2 0 0 0 0
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62 64 1 0 0 0 0
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64 65 1 0 0 0 0
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65 66 1 0 0 0 0
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66 67 1 0 0 0 0
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67 68 1 0 0 0 0
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68 69 1 0 0 0 0
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69 70 1 0 0 0 0
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70 71 2 0 0 0 0
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70 72 1 0 0 0 0
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65 73 1 1 0 0 0
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73 74 2 0 0 0 0
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73 75 1 0 0 0 0
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75 76 1 0 0 0 0
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76 77 1 0 0 0 0
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77 78 1 0 0 0 0
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78 79 1 0 0 0 0
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79 80 1 0 0 0 0
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80 81 1 0 0 0 0
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81 82 2 0 0 0 0
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81 83 1 0 0 0 0
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76 84 1 1 0 0 0
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84 85 1 0 0 0 0
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84 86 2 0 0 0 0
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40 87 1 1 0 0 0
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87 88 1 0 0 0 0
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87 89 1 0 0 0 0
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M END
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$$$$
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MFCD01318179
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Mt7.00 09020221422D
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65 64 0 0 0 0 0 0 0 0999 V2000
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1.9282 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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2.4282 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2942 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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1.5622 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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2.9282 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0622 2.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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3.7942 1.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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3.4282 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5622 3.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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4.2942 2.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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3.9282 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0622 3.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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4.7942 2.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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4.4282 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.2942 3.8301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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3.5622 4.8301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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4.9282 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0622 5.6962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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5.7942 4.6962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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5.4282 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.4282 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.9282 6.9282 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0
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7.7942 6.4282 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
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7.4282 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.4282 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.9282 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.0622 9.1603 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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9.7942 8.1603 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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9.4282 9.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.5622 10.0263 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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10.2942 9.0263 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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9.9282 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.7942 9.8923 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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9.0622 10.8923 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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10.4282 11.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.5622 11.7583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.2942 10.7583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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10.9282 12.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.7942 11.6244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.0622 12.6244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.4282 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.9282 13.8564 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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10.5622 13.4904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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12.2942 12.4904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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6.0622 7.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.0622 8.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.1962 8.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6962 8.0622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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5.6962 9.7942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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4.3301 9.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.8301 8.5622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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4.8301 10.2942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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3.4641 9.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9641 10.7942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
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2.9641 9.0622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.5981 10.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.0981 11.2942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.0981 9.5622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.7321 10.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2321 11.7942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
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1.2321 10.0622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.8660 11.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 11.9282 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.3660 12.2942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.3660 10.5622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1 2 1 0 0 0 0
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|
2 3 1 0 0 0 0
|
|
2 4 1 0 0 0 0
|
|
2 5 1 0 0 0 0
|
|
5 6 1 0 0 0 0
|
|
5 7 1 0 0 0 0
|
|
5 8 1 0 0 0 0
|
|
8 9 1 0 0 0 0
|
|
8 10 1 0 0 0 0
|
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8 11 1 0 0 0 0
|
|
11 12 1 0 0 0 0
|
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11 13 1 0 0 0 0
|
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11 14 1 0 0 0 0
|
|
14 15 1 0 0 0 0
|
|
14 16 1 0 0 0 0
|
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14 17 1 0 0 0 0
|
|
17 18 1 0 0 0 0
|
|
17 19 1 0 0 0 0
|
|
17 20 1 0 0 0 0
|
|
20 21 1 0 0 0 0
|
|
21 22 1 0 0 0 0
|
|
22 23 1 0 0 0 0
|
|
22 24 1 0 0 0 0
|
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24 25 1 0 0 0 0
|
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25 26 1 0 0 0 0
|
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26 27 1 0 0 0 0
|
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26 28 1 0 0 0 0
|
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26 29 1 0 0 0 0
|
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29 30 1 0 0 0 0
|
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29 31 1 0 0 0 0
|
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29 32 1 0 0 0 0
|
|
32 33 1 0 0 0 0
|
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32 34 1 0 0 0 0
|
|
32 35 1 0 0 0 0
|
|
35 36 1 0 0 0 0
|
|
35 37 1 0 0 0 0
|
|
35 38 1 0 0 0 0
|
|
38 39 1 0 0 0 0
|
|
38 40 1 0 0 0 0
|
|
38 41 1 0 0 0 0
|
|
41 42 1 0 0 0 0
|
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41 43 1 0 0 0 0
|
|
41 44 1 0 0 0 0
|
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22 45 1 0 0 0 0
|
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45 46 1 0 0 0 0
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46 47 1 0 0 0 0
|
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47 48 1 0 0 0 0
|
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47 49 1 0 0 0 0
|
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47 50 1 0 0 0 0
|
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50 51 1 0 0 0 0
|
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50 52 1 0 0 0 0
|
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50 53 1 0 0 0 0
|
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53 54 1 0 0 0 0
|
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53 55 1 0 0 0 0
|
|
53 56 1 0 0 0 0
|
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56 57 1 0 0 0 0
|
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56 58 1 0 0 0 0
|
|
56 59 1 0 0 0 0
|
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59 60 1 0 0 0 0
|
|
59 61 1 0 0 0 0
|
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59 62 1 0 0 0 0
|
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62 63 1 0 0 0 0
|
|
62 64 1 0 0 0 0
|
|
62 65 1 0 0 0 0
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|
M END
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> <MDLNUMBER>
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MFCD01318179
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$$$$
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MFCD00133860
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Mt7.00 09020221432D
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236240 0 0 1 0 0 0 0 0999 V2000
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|
13.0062 10.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.5062 9.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.5062 9.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.0062 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.5062 7.6989 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
8.8399 2.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.0062 6.8329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.0062 6.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.5062 7.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.5062 5.9668 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
10.5062 5.9668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.0062 5.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.5062 4.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.0062 5.1008 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
8.8700 6.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.4716 7.0087 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.8405 7.7844 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.0236 8.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.0813 8.6960 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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84 85 1 0 0 0 0
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90 91 1 0 0 0 0
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91 92 1 0 0 0 0
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92 93 1 0 0 0 0
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92 94 2 0 0 0 0
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89 95 1 6 0 0 0
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95 96 2 0 0 0 0
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95 97 1 0 0 0 0
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97 98 1 0 0 0 0
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98 99 1 0 0 0 0
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99100 1 0 0 0 0
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100101 1 0 0 0 0
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101102 2 0 0 0 0
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101103 1 0 0 0 0
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98104 1 1 0 0 0
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104105 2 0 0 0 0
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104106 1 0 0 0 0
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106107 1 0 0 0 0
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107108 1 0 0 0 0
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108109 1 0 0 0 0
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109110 1 0 0 0 0
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109111 1 0 0 0 0
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107112 1 6 0 0 0
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112113 2 0 0 0 0
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112114 1 0 0 0 0
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114115 1 0 0 0 0
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115116 1 0 0 0 0
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116117 1 0 0 0 0
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117118 2 0 2 0 0
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118119 1 0 0 0 0
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119120 1 0 0 0 0
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120121 2 0 0 0 0
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121117 1 0 0 0 0
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115122 1 6 0 0 0
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122123 2 0 0 0 0
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122124 1 0 0 0 0
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124125 1 0 0 0 0
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125126 1 0 0 0 0
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126127 1 0 0 0 0
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127128 1 0 0 0 0
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128129 1 0 0 0 0
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129130 1 0 0 0 0
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125131 1 1 0 0 0
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131132 2 0 0 0 0
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131133 1 0 0 0 0
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133134 1 0 0 0 0
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134135 1 0 0 0 0
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135136 1 0 0 0 0
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136137 1 0 0 0 0
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136138 1 0 0 0 0
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134139 1 6 0 0 0
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139140 2 0 0 0 0
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139141 1 0 0 0 0
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141142 1 0 0 0 0
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142143 1 0 0 0 0
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143144 1 0 0 0 0
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144145 1 0 0 0 0
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145146 1 0 0 0 0
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145147 2 0 0 0 0
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142148 1 1 0 0 0
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148149 2 0 0 0 0
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148150 1 0 0 0 0
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150151 1 0 0 0 0
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151152 1 6 0 0 0
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152153 2 0 0 0 0
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152154 1 0 0 0 0
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154155 1 0 0 0 0
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155156 1 0 0 0 0
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156157 1 0 0 0 0
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157158 2 0 2 0 0
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158159 1 0 0 0 0
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159160 2 0 1 0 0
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160161 1 0 0 0 0
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160162 1 0 0 0 0
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162163 2 0 2 0 0
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163157 1 0 0 0 0
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155164 1 1 0 0 0
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164165 2 0 0 0 0
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164166 1 0 0 0 0
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166167 1 0 0 0 0
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167168 1 0 0 0 0
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168169 1 0 0 0 0
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169170 1 0 0 0 0
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170166 1 0 0 0 0
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170171 1 1 0 0 0
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171172 2 0 0 0 0
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171173 1 0 0 0 0
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173174 1 0 0 0 0
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174175 1 0 0 0 0
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175176 1 0 0 0 0
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176177 1 0 0 0 0
|
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177178 1 0 0 0 0
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178179 1 0 0 0 0
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179180 2 0 0 0 0
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179181 1 0 0 0 0
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174182 1 6 0 0 0
|
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182183 2 0 0 0 0
|
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182184 1 0 0 0 0
|
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184185 1 0 0 0 0
|
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185186 1 1 0 0 0
|
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186187 2 0 0 0 0
|
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186188 1 0 0 0 0
|
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188189 1 0 0 0 0
|
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189190 1 0 0 0 0
|
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190191 1 0 0 0 0
|
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191192 2 0 0 0 0
|
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191193 1 0 0 0 0
|
|
189194 1 6 0 0 0
|
|
194195 2 0 0 0 0
|
|
194196 1 0 0 0 0
|
|
196197 1 0 0 0 0
|
|
197198 1 0 0 0 0
|
|
198199 2 0 0 0 0
|
|
198200 1 0 0 0 0
|
|
200201 1 0 0 0 0
|
|
201202 1 0 0 0 0
|
|
202203 2 0 0 0 0
|
|
202204 1 0 0 0 0
|
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204205 1 0 0 0 0
|
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205206 1 1 0 0 0
|
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205207 1 0 0 0 0
|
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207208 2 0 0 0 0
|
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207209 1 0 0 0 0
|
|
209210 1 0 0 0 0
|
|
210211 1 0 0 0 0
|
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211212 2 0 0 0 0
|
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211213 1 0 0 0 0
|
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213214 1 0 0 0 0
|
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214215 1 1 0 0 0
|
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215216 2 0 0 0 0
|
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215217 1 0 0 0 0
|
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217218 1 0 0 0 0
|
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218219 1 0 0 0 0
|
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219220 1 0 0 0 0
|
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220221 1 0 0 0 0
|
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221217 1 0 0 0 0
|
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221222 1 1 0 0 0
|
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222223 1 0 0 0 0
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222224 2 0 0 0 0
|
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214225 1 0 0 0 0
|
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225226 1 0 0 0 0
|
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225227 1 1 0 0 0
|
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197228 1 1 0 0 0
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228229 1 0 0 0 0
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228230 1 0 0 0 0
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185231 1 0 0 0 0
|
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231232 1 0 0 0 0
|
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231233 1 1 0 0 0
|
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151234 1 0 0 0 0
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234235 1 0 0 0 0
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234236 1 6 0 0 0
|
|
49 6 1 1 0 0 0
|
|
M END
|
|
> <MDLNUMBER>
|
|
MFCD00133860
|
|
|
|
$$$$
|
|
MFCD00143748
|
|
Mt7.00 09020221442D
|
|
|
|
239248 0 0 1 0 0 0 0 0999 V2000
|
|
22.3784 31.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.0226 31.1425 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.0070 31.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.6512 30.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.6357 30.7285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
4.8985 14.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.9760 31.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.3318 32.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.3473 32.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.6721 33.3740 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
2.7602 8.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.6566 33.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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25.0279 34.1389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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25.3682 35.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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26.3527 35.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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24.7240 35.8441 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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23.7266 35.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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23.3503 36.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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24.1151 37.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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24.9642 36.8148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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25.8907 37.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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26.6798 36.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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26.0280 38.1816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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25.6517 39.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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24.6612 39.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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24.2849 40.1720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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24.0470 38.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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26.9545 38.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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27.0919 39.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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26.3027 40.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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28.0184 39.9248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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28.8075 39.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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29.7340 39.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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28.1557 40.9153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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29.0822 41.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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29.8713 40.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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29.2196 42.2821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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28.4304 42.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.5039 42.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.7148 43.1342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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27.3666 41.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.1460 42.6584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.2834 43.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.4943 44.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.2099 44.0252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
31.9990 43.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.3473 45.0158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.2737 45.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
33.0629 44.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.4111 46.3826 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
31.6220 46.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.6955 46.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
33.3376 46.7589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
33.4750 47.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.6858 48.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
34.4014 48.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
34.5388 49.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
35.4653 49.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
35.6027 50.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
36.5292 50.8594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
36.7693 51.8301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
37.7667 51.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
38.1430 50.9752 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
38.9079 51.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
|
38.9921 50.4469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
38.7519 49.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
39.3961 48.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
37.7545 49.4046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
37.3782 50.3310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
36.6133 49.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.2799 29.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.2644 30.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.9396 29.0233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.5838 28.2585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
27.5683 28.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.2435 27.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.2590 27.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.8877 26.5533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.8852 26.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.2615 25.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.4966 25.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.6476 25.5825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
25.7211 25.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.9319 25.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.5837 24.2157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.6572 23.8394 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
23.8681 24.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.9416 24.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.1525 24.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.2260 24.3152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.4368 24.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.5742 25.9199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.5103 24.5531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.5199 22.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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25.3090 22.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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23.5934 22.4726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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23.4560 21.4820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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24.2452 20.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.1717 21.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.9608 20.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.8235 19.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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26.8873 21.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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22.5295 21.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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21.7404 21.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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22.3922 20.1152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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21.4657 19.7389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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20.6766 20.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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19.7501 19.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.9609 20.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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18.0344 20.2147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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17.2453 20.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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17.3826 21.8194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.3188 20.4526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.3283 18.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.1175 18.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.4018 18.3721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.2645 17.3816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
21.0536 16.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.9801 17.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.7693 16.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.6958 16.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.4849 16.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.3380 17.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.5489 17.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.2006 16.0147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.2742 15.6384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
17.4850 16.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.1368 14.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.9259 14.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17.2103 14.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17.0730 13.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.1465 12.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.3573 13.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.0091 11.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.0826 11.5379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
14.6311 12.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.0388 13.2359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.3221 13.9332 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.5003 14.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.5959 14.9298 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
10.6337 15.2019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.6397 15.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.6673 16.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.6412 15.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
8.5039 16.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.2930 16.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.6655 15.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.7390 14.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.1920 13.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.8870 14.1382 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
5.1329 13.4814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.4972 12.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.6754 13.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.9972 11.8435 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
3.0929 12.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.0103 13.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.4370 14.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.8672 14.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.8707 14.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.4439 14.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.0137 13.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.6466 10.9070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.4549 9.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.8566 9.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.4273 8.9259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
3.5647 7.9354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.8632 6.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.9367 6.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.3147 6.0887 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
3.4628 5.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.5833 6.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.7314 5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.8519 5.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.0000 5.4696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.9069 5.2830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.6237 4.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.9880 3.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.4455 4.0158 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
5.9455 3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.9455 3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.3577 3.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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3.4067 3.6498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.4067 2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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2.6635 1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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2.8714 1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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3.8225 0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.5656 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.3577 2.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.3499 3.5891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.3121 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.1204 2.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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9.3061 3.2070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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9.2785 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.3990 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.3994 1.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.8757 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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7.3517 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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8.3513 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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8.8750 0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.3045 3.2620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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11.2803 3.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.5788 2.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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12.2068 3.8570 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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12.6584 2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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12.1114 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.2192 1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.1641 0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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12.0012 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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12.8935 0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.9486 1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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13.0588 4.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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13.8129 5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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14.5296 4.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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14.4486 5.8094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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15.2704 5.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.1747 5.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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16.9965 5.0965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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16.2573 6.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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14.9486 6.6754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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15.2992 7.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.2615 7.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.4909 8.5934 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
16.4849 8.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.8866 7.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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17.8805 7.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.2822 6.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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19.2761 6.4318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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15.5185 9.5930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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15.3811 10.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.3569 10.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.6823 9.5930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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2.8875 10.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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1.7321 9.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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6.0380 15.1267 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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6.9696 15.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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5.2574 15.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.9466 15.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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11.3108 16.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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12.9329 16.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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2 3 1 0 0 0 0
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3 4 1 0 0 0 0
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4 5 1 0 0 0 0
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5 7 1 0 0 0 0
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7 8 1 0 0 0 0
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8 9 2 0 0 0 0
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8 10 1 0 0 0 0
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10 12 1 1 0 0 0
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10 13 1 0 0 0 0
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13 14 1 0 0 0 0
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14 15 2 0 0 0 0
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16 14 1 6 0 0 0
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16 17 1 0 0 0 0
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17 18 1 0 0 0 0
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18 19 1 0 0 0 0
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19 20 1 0 0 0 0
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20 16 1 0 0 0 0
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20 21 1 0 0 0 0
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21 23 1 0 0 0 0
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23 24 1 0 0 0 0
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24 25 1 0 0 0 0
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25 26 1 0 0 0 0
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25 27 2 0 0 0 0
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23 28 1 6 0 0 0
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28 29 1 0 0 0 0
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29 30 2 0 0 0 0
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29 31 1 0 0 0 0
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31 32 1 0 0 0 0
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32 33 1 0 0 0 0
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31 34 1 1 0 0 0
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34 35 1 0 0 0 0
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35 36 2 0 0 0 0
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35 37 1 0 0 0 0
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37 38 1 0 0 0 0
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38 39 1 0 0 0 0
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39 40 1 0 0 0 0
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39 41 2 0 0 0 0
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37 42 1 6 0 0 0
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42 43 1 0 0 0 0
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43 44 2 0 0 0 0
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43 45 1 0 0 0 0
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45 46 1 1 0 0 0
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45 47 1 0 0 0 0
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47 48 1 0 0 0 0
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48 49 2 0 0 0 0
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48 50 1 0 0 0 0
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50 51 1 0 0 0 0
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51 52 1 0 0 0 0
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50 53 1 6 0 0 0
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53 54 1 0 0 0 0
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54 55 2 0 0 0 0
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54 56 1 0 0 0 0
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56 57 1 0 0 0 0
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57 58 1 0 0 0 0
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58 59 1 0 0 0 0
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60 59 1 6 0 0 0
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60 61 1 0 0 0 0
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61 62 1 0 0 0 0
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62 63 1 0 0 0 0
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63 64 1 1 0 0 0
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63 65 1 0 0 0 0
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65 66 1 0 0 0 0
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66 67 2 0 0 0 0
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66 68 1 0 0 0 0
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68 69 1 0 0 0 0
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69 70 1 1 0 0 0
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69 60 1 0 0 0 0
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69 63 1 0 0 0 0
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5 71 1 6 0 0 0
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71 72 2 0 0 0 0
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71 73 1 0 0 0 0
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73 74 1 0 0 0 0
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74 75 1 1 0 0 0
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74 76 1 0 0 0 0
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76 77 2 0 0 0 0
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76 78 1 0 0 0 0
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78 79 1 0 0 0 0
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79 80 1 0 0 0 0
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80 81 1 0 0 0 0
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81 82 1 0 0 0 0
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82 78 1 0 0 0 0
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82 83 1 1 0 0 0
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83 84 2 0 0 0 0
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83 85 1 0 0 0 0
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85 86 1 0 0 0 0
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86 87 1 0 0 0 0
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87 88 1 0 0 0 0
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89 90 1 0 0 0 0
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90 91 1 0 0 0 0
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91 92 2 0 0 0 0
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91 93 1 0 0 0 0
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86 94 1 6 0 0 0
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94 95 2 0 0 0 0
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94 96 1 0 0 0 0
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96 97 1 0 0 0 0
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98 99 1 0 0 0 0
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99100 1 0 0 0 0
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100101 2 0 0 0 0
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100102 1 0 0 0 0
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97103 1 1 0 0 0
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103104 2 0 0 0 0
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103105 1 0 0 0 0
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105106 1 0 0 0 0
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106107 1 0 0 0 0
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107108 1 0 0 0 0
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108109 1 0 0 0 0
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109110 1 0 0 0 0
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110111 1 0 0 0 0
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111112 2 0 0 0 0
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111113 1 0 0 0 0
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106114 1 6 0 0 0
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114115 2 0 0 0 0
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114116 1 0 0 0 0
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116117 1 0 0 0 0
|
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117118 1 0 0 0 0
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118119 1 0 0 0 0
|
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119120 1 0 0 0 0
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120121 1 0 0 0 0
|
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121122 1 0 0 0 0
|
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117123 1 1 0 0 0
|
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123124 2 0 0 0 0
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123125 1 0 0 0 0
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125126 1 0 0 0 0
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126127 1 6 0 0 0
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126128 1 0 0 0 0
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128129 2 0 0 0 0
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128130 1 0 0 0 0
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130131 1 0 0 0 0
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131132 1 0 0 0 0
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132133 2 0 0 0 0
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132134 1 0 0 0 0
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135134 1 6 0 0 0
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135136 1 0 0 0 0
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136137 1 0 0 0 0
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137138 1 0 0 0 0
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138139 1 0 0 0 0
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139140 1 0 0 0 0
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140141 1 0 0 0 0
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141142 1 0 0 0 0
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142143 2 0 0 0 0
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142144 1 0 0 0 0
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144145 1 1 0 0 0
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145146 1 0 0 0 0
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144147 1 0 0 0 0
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147148 1 0 0 0 0
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148149 2 0 0 0 0
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148150 1 0 0 0 0
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150151 1 0 0 0 0
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151152 1 0 0 0 0
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152153 2 0 0 0 0
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152154 1 0 0 0 0
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154155 1 1 0 0 0
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155156 1 0 0 0 0
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156157 2 0 2 0 0
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157158 1 0 0 0 0
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158159 2 0 2 0 0
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159160 1 0 0 0 0
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160161 2 0 2 0 0
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161156 1 0 0 0 0
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154162 1 0 0 0 0
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162163 1 0 0 0 0
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163164 2 0 0 0 0
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163165 1 0 0 0 0
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165166 1 0 0 0 0
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166167 1 0 0 0 0
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167168 2 0 0 0 0
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167169 1 0 0 0 0
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169170 1 1 0 0 0
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170171 1 0 0 0 0
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171172 1 0 0 0 0
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172173 1 0 0 0 0
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173174 1 0 0 0 0
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169175 1 0 0 0 0
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175176 1 0 0 0 0
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176177 2 0 0 0 0
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176178 1 0 0 0 0
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178179 1 1 0 0 0
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179180 1 0 0 0 0
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180181 2 0 2 0 0
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181182 1 0 0 0 0
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182183 1 0 0 0 0
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183184 2 0 1 0 0
|
|
184185 1 0 0 0 0
|
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185186 2 0 2 0 0
|
|
186187 1 0 0 0 0
|
|
187188 2 0 1 0 0
|
|
188180 1 0 0 0 0
|
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188183 1 0 0 0 0
|
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178189 1 0 0 0 0
|
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189190 1 0 0 0 0
|
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190191 2 0 0 0 0
|
|
190192 1 0 0 0 0
|
|
192193 1 1 0 0 0
|
|
193194 1 0 0 0 0
|
|
194195 2 0 2 0 0
|
|
195196 1 0 0 0 0
|
|
196197 2 0 2 0 0
|
|
197198 1 0 0 0 0
|
|
198199 2 0 2 0 0
|
|
199194 1 0 0 0 0
|
|
192200 1 0 0 0 0
|
|
200201 1 0 0 0 0
|
|
201202 2 0 0 0 0
|
|
201203 1 0 0 0 0
|
|
203204 1 1 0 0 0
|
|
204205 1 0 0 0 0
|
|
205206 2 0 2 0 0
|
|
206207 1 0 0 0 0
|
|
207208 2 0 2 0 0
|
|
208209 1 0 0 0 0
|
|
209210 2 0 2 0 0
|
|
210205 1 0 0 0 0
|
|
203211 1 0 0 0 0
|
|
211212 1 0 0 0 0
|
|
212213 2 0 0 0 0
|
|
212214 1 0 0 0 0
|
|
214215 1 1 0 0 0
|
|
215216 1 0 0 0 0
|
|
216217 1 0 0 0 0
|
|
216218 2 0 0 0 0
|
|
214219 1 0 0 0 0
|
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219220 1 0 0 0 0
|
|
220221 2 0 0 0 0
|
|
220222 1 0 0 0 0
|
|
222223 1 1 0 0 0
|
|
223224 1 0 0 0 0
|
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224225 1 0 0 0 0
|
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225226 1 0 0 0 0
|
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226227 1 0 0 0 0
|
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222228 1 0 0 0 0
|
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228229 1 0 0 0 0
|
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229135 1 0 0 0 0
|
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229230 2 0 0 0 0
|
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165231 1 0 0 0 0
|
|
231232 1 0 0 0 0
|
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231233 1 6 0 0 0
|
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150234 1 0 0 0 0
|
|
234235 1 0 0 0 0
|
|
234236 1 6 0 0 0
|
|
140237 1 6 0 0 0
|
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237238 2 0 0 0 0
|
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237239 1 0 0 0 0
|
|
150 6 1 6 0 0 0
|
|
165 11 1 6 0 0 0
|
|
M END
|
|
> <MDLNUMBER>
|
|
MFCD00143748
|
|
|
|
$$$$
|
|
MFCD00142402
|
|
Mt7.00 09020221462D
|
|
|
|
241248 0 0 1 0 0 0 0 0999 V2000
|
|
23.4701 47.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.6780 46.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.9348 46.0665 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
9.5023 2.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.9838 46.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.1428 45.0884 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
22.3996 44.4193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.4486 44.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.2406 45.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.7054 44.0591 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
20.9133 43.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.7544 44.3682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.0112 43.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.2191 42.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.0602 44.0080 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
17.3170 43.3389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.3660 43.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.1580 44.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.6228 42.9788 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
15.8307 42.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.0876 41.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.2955 40.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.5524 39.6842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.2466 40.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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14.6718 43.2878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.9286 42.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.1365 41.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.9776 42.9277 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
12.6685 43.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.6685 43.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.3595 42.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1685 42.3399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6685 41.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.6685 41.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1685 40.6079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
11.1685 40.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.6685 41.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.6685 41.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.1685 42.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.6685 43.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.6685 43.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.1685 42.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6685 39.7418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1685 38.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.1685 38.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6685 38.0098 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
12.1685 37.1438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6685 36.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.6685 36.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1685 35.4117 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
11.1685 35.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.6685 36.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.0753 37.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.3321 37.8604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.4661 37.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.6740 36.3823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6685 34.5457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1685 33.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.1685 33.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6685 32.8136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
13.6685 32.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.1685 31.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.1685 30.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.0346 30.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.9006 30.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.9006 31.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.0346 32.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1685 31.9476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6685 31.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.6685 31.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1685 30.2155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
11.1685 30.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.6685 31.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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181183 1 0 0 0 0
|
|
179184 1 0 0 0 0
|
|
184185 2 0 0 0 0
|
|
184186 1 0 0 0 0
|
|
186187 1 0 0 0 0
|
|
187188 1 6 0 0 0
|
|
188189 1 0 0 0 0
|
|
187190 1 0 0 0 0
|
|
190191 2 0 0 0 0
|
|
190192 1 0 0 0 0
|
|
192193 1 0 0 0 0
|
|
193194 1 0 0 0 0
|
|
194195 2 0 0 0 0
|
|
194196 1 0 0 0 0
|
|
196157 1 0 0 0 0
|
|
193197 1 0 0 0 0
|
|
197198 1 0 0 0 0
|
|
197199 1 6 0 0 0
|
|
133200 1 0 0 0 0
|
|
200201 1 0 0 0 0
|
|
200202 1 6 0 0 0
|
|
116203 1 0 0 0 0
|
|
203204 1 0 0 0 0
|
|
203205 1 6 0 0 0
|
|
46206 1 0 0 0 0
|
|
206207 1 0 0 0 0
|
|
206208 1 6 0 0 0
|
|
15209 1 0 0 0 0
|
|
209210 1 0 0 0 0
|
|
209211 1 6 0 0 0
|
|
6212 1 1 0 0 0
|
|
212213 2 0 0 0 0
|
|
212214 1 0 0 0 0
|
|
214215 1 0 0 0 0
|
|
215216 1 0 0 0 0
|
|
216217 2 0 0 0 0
|
|
216218 1 0 0 0 0
|
|
218219 1 0 0 0 0
|
|
219220 1 0 0 0 0
|
|
220221 2 0 0 0 0
|
|
220222 1 0 0 0 0
|
|
222223 1 0 0 0 0
|
|
223224 1 0 0 0 0
|
|
224225 2 0 0 0 0
|
|
224226 1 0 0 0 0
|
|
226227 1 0 0 0 0
|
|
227228 1 1 0 0 0
|
|
227229 1 0 0 0 0
|
|
229230 2 0 0 0 0
|
|
229231 1 0 0 0 0
|
|
231232 1 0 0 0 0
|
|
232233 1 0 0 0 0
|
|
233234 1 0 0 0 0
|
|
234235 1 0 0 0 0
|
|
235231 1 0 0 0 0
|
|
235236 1 6 0 0 0
|
|
236237 1 0 0 0 0
|
|
236238 2 0 0 0 0
|
|
219239 1 1 0 0 0
|
|
239240 1 0 0 0 0
|
|
239241 1 0 0 0 0
|
|
193 4 1 1 0 0 0
|
|
M ISO 1 128 125
|
|
M END
|
|
> <MDLNUMBER>
|
|
MFCD00142402
|
|
|
|
$$$$
|
|
MFCD00142397
|
|
Mt7.00 09020221472D
|
|
|
|
245249 0 0 1 0 0 0 0 0999 V2000
|
|
16.9640 35.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17.6331 34.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17.3241 34.0243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
16.3459 33.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17.9932 33.2811 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
17.6842 32.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.7060 32.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.0369 32.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.3970 31.1711 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
17.0662 30.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.4189 30.9632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.1099 30.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.7790 29.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.1317 29.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
13.4626 30.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.7716 31.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.1025 32.2416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.7498 31.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.8227 28.8532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.8446 28.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1754 29.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.5355 27.6942 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
13.2047 26.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.8957 26.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.5648 25.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.2558 24.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.9249 23.5627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.5574 27.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.2484 26.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.9175 25.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.2702 26.3273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
9.6011 27.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.9101 28.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.8883 28.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.1973 29.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.5281 29.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.5500 29.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.2410 28.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.9612 25.3763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.9831 25.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.3139 25.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.6740 24.2173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
9.3432 23.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.3213 23.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.9905 22.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.6303 24.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.6959 24.0094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.3869 23.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.0560 22.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.4087 22.8504 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
6.0997 21.8994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.1216 21.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.4524 22.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.8126 20.7404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
3.8344 20.5325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.5254 19.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.1945 18.8383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.5472 19.3735 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
1.8781 20.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.1871 21.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.5180 21.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.1653 21.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.2382 18.4225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.2601 18.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.5909 18.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.9511 17.2635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
0.0000 16.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.0000 15.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
0.9511 15.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.5388 16.4545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.5388 16.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.0388 17.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.0388 15.5885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
4.0388 15.5885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.5388 14.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.0388 13.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.5388 14.7224 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
6.0388 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.0388 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.5388 16.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.5388 16.4545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.0388 17.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.0388 13.8564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.0388 13.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.5388 14.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.5388 12.9904 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
7.0388 12.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.0388 12.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.5388 12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.0388 12.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.5388 11.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.0388 12.1244 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
10.5388 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.5388 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.0388 13.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.0388 13.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.5388 14.7224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.5388 11.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.5388 11.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.0388 12.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.0388 10.3923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
11.5388 9.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.5388 9.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.0388 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.5388 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.0388 8.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.0388 10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.5388 9.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.0388 8.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
14.5388 9.5263 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
15.0388 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.0388 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.0388 8.6603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.0388 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.5388 9.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.5388 7.7942 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
17.5388 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.0388 6.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17.5388 6.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.0388 6.9282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
19.5388 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.5388 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.0388 8.6603 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.0388 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.5388 6.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.5388 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.0388 6.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.0388 5.1962 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
20.5388 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.5388 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.0388 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.0388 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
17.5388 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.0388 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.0388 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.0388 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.5388 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.0388 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.5388 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.0388 3.4641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.0388 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.5388 4.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.5388 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.5388 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.0388 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.5388 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.0388 1.7321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
28.5388 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.5388 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.5388 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.0388 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.0388 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.5388 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.5388 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.0388 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.5388 2.5981 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.0388 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.0388 6.9282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
15.0388 6.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.5388 6.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.5388 14.7224 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
1.5388 14.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.0388 13.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.4817 19.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.1727 19.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.4598 20.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.7396 23.5936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
6.0486 24.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.7615 23.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
18.9714 33.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.6405 32.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.2804 34.4401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.2585 34.6480 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
20.5675 35.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
19.8984 36.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.5457 35.8070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.8547 36.7581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
21.1856 37.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.4946 38.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.8255 39.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
21.1345 40.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
20.4653 40.8896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
22.8329 36.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.5020 36.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.1419 37.9170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.1200 38.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
24.7891 37.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.7673 37.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.4364 36.8465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.0763 38.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.4290 39.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.7599 39.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.4072 39.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.7162 40.2350 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
26.6943 40.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.3635 39.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.0034 41.3939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.9815 41.6018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
28.6506 40.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.3416 39.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.6725 39.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.1725 38.2985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.1506 38.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.2552 39.5009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.2905 42.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.6214 43.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.2687 42.7608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.5777 43.7119 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
28.9086 44.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.2176 45.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.5484 46.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.8575 47.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.1883 47.8434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.5558 43.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.2250 43.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.8649 44.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.8430 45.0787 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
32.5121 44.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.2031 43.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.8723 42.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.5632 41.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
33.2324 40.9472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.1520 46.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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31.4829 46.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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33.1302 46.2377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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33.4392 47.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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34.4173 47.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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35.0865 46.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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34.7263 48.3477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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35.7045 48.5556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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36.0135 49.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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36.9917 49.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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37.3007 50.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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38.2788 50.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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36.6315 51.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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36.3736 47.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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37.3518 48.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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36.0646 46.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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25.0471 40.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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25.3561 41.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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24.0689 40.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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20.9277 33.9049 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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21.9058 34.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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20.6186 32.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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21.2878 32.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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77 83 1 6 0 0 0
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107108 1 0 0 0 0
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108110 1 0 0 0 0
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110111 1 0 0 0 0
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111112 1 0 0 0 0
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110113 1 6 0 0 0
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113114 1 0 0 0 0
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114115 2 0 0 0 0
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114116 1 0 0 0 0
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116117 1 1 0 0 0
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117118 1 0 0 0 0
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118119 2 0 0 0 0
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118120 1 0 0 0 0
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120121 1 0 0 0 0
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121122 1 0 0 0 0
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122123 1 0 0 0 0
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123124 1 0 0 0 0
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120125 1 6 0 0 0
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125126 1 0 0 0 0
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126127 2 0 0 0 0
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126128 1 0 0 0 0
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128129 1 0 0 0 0
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129130 1 0 0 0 0
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130131 2 0 2 0 0
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128136 1 1 0 0 0
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150151 2 0 2 0 0
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153154 1 0 0 0 0
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153155 1 0 0 0 0
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155156 1 0 0 0 0
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155157 2 0 2 0 0
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157150 1 0 0 0 0
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116158 1 0 0 0 0
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158159 1 0 0 0 0
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158160 1 6 0 0 0
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73161 1 0 0 0 0
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161162 1 0 0 0 0
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161163 1 6 0 0 0
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50167 1 0 0 0 0
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183185 1 0 0 0 0
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185186 1 0 0 0 0
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186187 1 0 0 0 0
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187188 1 0 0 0 0
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188189 1 0 0 0 0
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186191 1 6 0 0 0
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194195 1 0 0 0 0
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199200 1 0 0 0 0
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201202 1 0 0 0 0
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202203 1 0 0 0 0
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203204 2 0 0 0 0
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204200 1 0 0 0 0
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198205 1 6 0 0 0
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205206 2 0 0 0 0
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205207 1 0 0 0 0
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207208 1 0 0 0 0
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208209 1 0 0 0 0
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209210 1 0 0 0 0
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210211 1 0 0 0 0
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211212 1 0 0 0 0
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212213 1 0 0 0 0
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208214 1 1 0 0 0
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214216 1 0 0 0 0
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216217 1 0 0 0 0
|
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217218 1 0 0 0 0
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218219 1 0 0 0 0
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219220 1 0 0 0 0
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220221 1 0 0 0 0
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221222 1 0 0 0 0
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217223 1 6 0 0 0
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|
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223225 1 0 0 0 0
|
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225226 1 0 0 0 0
|
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227229 1 0 0 0 0
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229230 1 0 0 0 0
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|
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239240 1 0 0 0 0
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239241 1 0 0 0 0
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242243 1 1 0 0 0
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242244 1 0 0 0 0
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244245 1 0 0 0 0
|
|
M ISO 1 156 125
|
|
M END
|
|
> <MDLNUMBER>
|
|
MFCD00142397
|
|
|
|
$$$$
|
|
MFCD00671471
|
|
Mt7.00 09020221482D
|
|
|
|
250253 0 0 1 0 0 0 0 0999 V2000
|
|
41.7380 15.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
41.0309 16.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
41.2898 17.3443 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
41.2898 18.7585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
|
42.2557 17.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
40.5827 18.0514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
40.5234 19.0497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
40.3465 20.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
41.3185 20.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
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40.0545 20.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
40.9919 21.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
41.7621 20.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
42.6996 21.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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43.4698 20.4112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
44.4072 20.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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44.5744 21.7454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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45.1775 20.1217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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39.6513 21.9054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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39.1428 22.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
39.9722 23.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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38.5360 23.5613 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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38.8656 24.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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39.8481 24.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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40.5009 23.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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40.1777 25.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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37.8395 24.2788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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37.0629 24.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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37.6459 25.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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36.2173 25.4428 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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36.7001 26.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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36.1831 27.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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36.6659 28.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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35.1833 27.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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35.3145 25.8728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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34.3672 26.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
34.6308 27.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
33.3887 26.3991 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
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33.5363 27.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
34.4667 27.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
34.6143 28.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
35.5447 29.1105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
35.6923 30.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
34.9096 30.7219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
36.6227 30.4662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.3926 26.4879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.3930 26.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.3043 27.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.4040 26.3106 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
30.1980 27.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.9425 27.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.7365 28.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.4810 29.6030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.2750 30.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.3246 30.8925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.0195 31.2492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.4394 26.0470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.5127 25.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.0826 26.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.6369 25.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.8245 24.6054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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26.0866 23.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.3691 24.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.4338 23.1729 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
24.6390 23.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.7670 24.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.3738 25.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.9889 26.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.9971 26.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.3903 25.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.7753 24.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.8752 22.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
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24.4185 21.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.5034 21.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.0703 20.5164 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
23.8354 19.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.7172 18.5514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.7172 17.5514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
|
|
23.8354 16.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.0703 15.5864 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
24.4185 14.6490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.8752 13.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
24.0141 13.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
25.4338 12.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.0866 12.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.8245 11.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
26.1944 10.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.6369 10.9145 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
27.1031 10.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.5685 9.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
27.0347 8.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.5677 9.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
28.5127 10.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.4394 10.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
29.1191 9.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
30.4040 9.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
31.3930 9.6446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.3926 9.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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32.4222 8.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
33.3887 9.7038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
33.5363 8.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
32.7536 8.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
34.3672 9.9097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
35.3145 10.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
35.6904 9.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
36.2173 10.6601 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
|
36.7001 9.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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37.6999 9.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
38.1827 8.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
38.2169 10.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
37.0629 11.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
37.8395 11.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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|
|
244246 1 0 0 0 0
|
|
246247 1 0 0 0 0
|
|
224248 1 0 0 0 0
|
|
248249 1 0 0 0 0
|
|
248250 1 1 0 0 0
|
|
6 4 1 6 0 0 0
|
|
M ISO 1 176 125
|
|
M END
|
|
> <MDLNUMBER>
|
|
MFCD00671471
|
|
|
|
$$$$
|