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output.sdf
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output.sdf
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ZINC000191583186 none
OpenBabel12142316593D
52 53 0 0 1 0 0 0 0 0999 V2000
-15.2579 21.1839 -23.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4512 20.0791 -22.5392 C 0 0 0 0 0 0 0 0 0 0 0 0
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-15.7142 11.7015 -13.7654 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.6732 11.5984 -12.8621 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.8188 12.6677 -12.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
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-15.1237 19.2002 -20.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.9430 20.2120 -21.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.7237 20.9011 -24.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7179 22.0993 -23.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1921 21.3506 -23.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5256 18.8246 -23.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8418 17.0194 -22.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0455 15.9887 -20.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
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-19.4067 17.3481 -19.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3368 17.9829 -20.6320 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6616 15.1692 -19.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7778 17.5967 -14.9823 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.5333 18.3199 -16.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3530 16.9988 -15.5563 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3528 14.8667 -15.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2984 14.2526 -16.6640 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3659 15.4293 -15.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4205 16.0434 -14.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.7150 12.9547 -15.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.3816 10.8661 -13.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5272 10.6826 -12.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0055 12.5873 -11.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7298 19.3057 -19.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4102 21.1092 -20.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
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2 3 1 0 0 0 0
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9 38 1 0 0 0 0
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11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
14 15 1 6 0 0 0
14 16 1 0 0 0 0
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28 29 1 0 0 0 0
28 51 1 0 0 0 0
29 52 1 0 0 0 0
M CHG 1 11 1
M END
$$$$
ZINC000159533726 none
OpenBabel12142316593D
47 48 0 0 1 0 0 0 0 0999 V2000
-16.9017 15.1004 -19.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7714 16.1877 -18.3480 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2203 17.0346 -18.7567 H 0 0 0 0 0 0 0 0 0 0 0 0
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-17.4528 14.2534 -19.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
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-17.3637 14.1718 -16.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0001 15.9558 -14.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9559 12.6549 -12.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
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-18.9773 18.0001 -16.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
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-20.9927 16.4142 -17.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-23.0366 15.7537 -18.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
-22.9778 17.4096 -17.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
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-23.1146 17.8653 -20.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.9205 17.1726 -21.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 29 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
2 3 1 6 0 0 0
2 4 1 0 0 0 0
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4 5 2 0 0 0 0
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26 27 1 1 0 0 0
26 28 1 0 0 0 0
28 47 1 0 0 0 0
M CHG 1 17 1
M END
$$$$
ZINC000151228439 none
OpenBabel12142316593D
47 49 0 0 1 0 0 0 0 0999 V2000
-16.3730 16.1673 -19.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.9595 16.9247 -18.2491 C 0 0 1 0 0 0 0 0 0 0 0 0
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-18.4008 15.4834 -18.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
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-19.2360 17.1566 -18.9688 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.6750 16.6954 -18.7294 C 0 0 2 0 0 0 0 0 0 0 0 0
-21.0915 17.0454 -17.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
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-15.9067 15.4377 -16.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.1091 15.6710 -15.3754 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6215 14.7015 -14.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.8175 15.0779 -13.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
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-13.5663 16.1179 -13.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
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-14.7080 11.3700 -13.9415 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5716 13.0686 -15.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 28 1 0 0 0 0
1 29 1 0 0 0 0
1 30 1 0 0 0 0
2 3 1 6 0 0 0
2 4 1 0 0 0 0
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4 5 1 0 0 0 0
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23 45 1 0 0 0 0
24 25 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
26 27 2 0 0 0 0
M CHG 1 4 1
M END
$$$$