B9HQO4 -OEChem-04042102493D 36 38 0 0 0 0 0 0 0999 V2000 -2.7788 1.1796 -0.3243 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 -0.4340 0.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 1.0593 -1.3422 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 1.9717 0.8639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 1.6832 -1.0707 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7005 -0.0946 -1.8251 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 1.5697 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 0.6720 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 0.5981 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 -0.4636 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 2.3804 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 1.4135 1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -0.3055 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 2.3024 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -1.0971 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8297 -0.6794 1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -1.5422 -0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -0.9544 -2.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 -1.9739 1.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 -2.8366 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 -3.0525 1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -1.3959 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 1.4575 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6882 3.0942 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 1.3756 1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.9350 2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 0.1442 2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -1.3964 -1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6243 -1.8032 -1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 -1.5468 -3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -2.1420 2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4644 -3.6764 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -4.0603 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -1.3268 1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1618 -2.4061 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -1.2009 2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$