B4W3LV -OEChem-04022102122D 43 45 0 1 0 0 0 0 0999 V2000 3.6750 -4.3184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -4.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -5.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -5.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 25 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 19 1 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$