B9UW2P -OEChem-04022107022D 50 54 0 0 0 0 0 0 0999 V2000 9.9688 -2.2508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.3382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 -1.6938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 -3.6618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6696 -3.4531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5795 -0.3463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6551 -1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2731 -1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -3.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9367 -2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 -3.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9915 -2.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6408 -2.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6181 -2.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9235 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2901 -3.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9008 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2675 -3.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5728 -2.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2515 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 -1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4775 -4.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3308 -2.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8455 -3.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1163 -3.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8753 -3.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1008 -4.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0901 -1.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6841 -3.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1788 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 35 1 0 0 0 0 5 17 2 0 0 0 0 6 28 1 0 0 0 0 6 35 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 14 1 0 0 0 0 8 22 2 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 22 1 0 0 0 0 11 36 3 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 29 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 30 36 1 0 0 0 0 31 33 1 0 0 0 0 31 47 1 0 0 0 0 32 34 1 0 0 0 0 32 48 1 0 0 0 0 33 34 2 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 M END $$$$