B8CN3T -OEChem-04012113432D 55 57 0 1 0 0 0 0 0999 V2000 2.0000 2.1883 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.1642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.3358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.6642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7877 -2.1989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3719 -0.2426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0410 0.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5629 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5410 1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4942 1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4942 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5798 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8900 -0.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4559 0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5426 0.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4980 1.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9429 1.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1074 1.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3494 1.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 1.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 1.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1248 0.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3278 0.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 1.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 2.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 -0.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 -0.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0312 0.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 1.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9573 1.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9573 -0.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 -1.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 -1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 2.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 2.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 38 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 24 3 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 1 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 21 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 M END $$$$