B3BYK5 -OEChem-04022106533D 40 42 0 0 0 0 0 0 0999 V2000 5.7886 -1.2467 0.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4418 1.3593 0.3768 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5373 -0.6641 -0.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.2433 0.2919 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.2761 -0.0328 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -1.8547 0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8823 0.3170 -0.0418 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5559 -0.0723 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 -1.2212 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 0.0339 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 -0.5333 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 -1.2084 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 1.1681 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 1.2031 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 0.1063 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2707 1.0939 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3516 -0.1099 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7484 0.7153 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3221 1.2547 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4272 -0.9722 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7151 1.3246 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8202 -0.9025 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6415 1.9303 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 0.2459 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1504 -2.1360 0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 2.0845 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9475 2.1736 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -3.2282 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 1.8065 0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 1.5764 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 1.2656 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9719 -0.0218 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9811 0.2406 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 2.1062 0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 -1.8741 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1835 2.2320 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 -1.7589 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4663 2.6726 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 1.6362 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4574 2.4047 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 31 1 0 0 0 0 6 11 2 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$