B3NJH9 -OEChem-04012113343D 46 48 0 1 0 0 0 0 0999 V2000 0.3222 0.9010 1.1005 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 0.8422 2.5503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 1.9409 0.4095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4243 -5.4937 0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 -0.6638 0.4729 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.8688 -0.0791 -1.2311 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 -0.1135 -2.5559 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9617 1.4259 -0.7093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.7690 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 -0.5578 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1933 -3.1103 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 1.0569 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0267 -0.9371 -2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -4.2936 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8465 0.4182 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 1.6294 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.6036 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -0.6386 -3.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 1.7524 -1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 0.7268 0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 1.3011 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -0.0767 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 1.4028 -0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 0.4211 1.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6956 1.9008 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 1.4099 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1698 -1.7530 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -1.6631 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 -3.2223 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1826 -3.1839 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9601 -1.3587 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 -4.2323 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -4.3301 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 1.9824 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 0.1522 2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -0.7800 -4.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7942 2.2005 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1402 0.3708 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 -0.8929 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6596 1.8131 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 0.0282 2.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 2.6722 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 -6.2298 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5562 1.7954 2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 1.0982 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1685 1.8417 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 4 14 1 0 0 0 0 4 43 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 18 2 0 0 0 0 8 21 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$