B3Z5VO -OEChem-04012113042D 52 55 0 0 0 0 0 0 0999 V2000 15.7882 -1.0530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -0.2482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -1.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -1.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3972 0.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3972 -2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 3 51 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 15 18 2 0 0 0 0 15 44 1 0 0 0 0 16 20 3 0 0 0 0 17 19 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 M END $$$$