BXE81H -OEChem-04022107553D 41 41 0 1 0 0 0 0 0999 V2000 1.8679 -1.7297 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 2.0763 1.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.6242 -1.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 3.8414 0.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 -0.2987 -1.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0722 -0.5541 2.0132 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7865 -2.0760 1.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 0.5105 0.5016 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1901 -0.8931 1.1894 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0145 -2.9742 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 1.8537 -0.0242 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2882 2.5320 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9356 1.7736 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -2.9433 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -4.0785 0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8186 -3.1598 -1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 -0.6125 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 0.7981 0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7857 2.6927 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 2.0483 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 0.0975 0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 1.3478 -1.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 0.3724 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 1.7992 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 2.6496 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2485 3.5547 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 -2.3637 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -2.5298 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -3.9575 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1326 -4.0712 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 -3.9213 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1602 -5.0700 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 -2.9101 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 -2.5598 -2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 -4.2021 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 0.3857 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 0.5861 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 2.8044 -1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 1.5722 -2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3615 2.6549 1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5466 0.0287 -2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 2 40 1 0 0 0 0 3 17 2 0 0 0 0 4 19 2 0 0 0 0 5 23 1 0 0 0 0 5 41 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 36 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$