B4IGA3 -OEChem-04022106332D 50 54 0 1 0 0 0 0 0999 V2000 8.1363 -1.8873 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5941 -3.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1482 1.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 0.9490 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4013 -0.6690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 0.7399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9453 -0.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 1.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6479 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5941 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1777 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6479 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 2.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7819 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9158 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7819 -3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9158 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0498 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 3.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4671 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4976 0.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 1.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 1.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -1.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -1.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1315 -1.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3431 -1.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6386 -2.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6386 -2.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1413 2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7819 -0.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7819 -4.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3635 2.3977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3789 -3.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 0.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 4.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7046 3.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 30 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 13 2 0 0 0 0 4 28 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 37 1 0 0 0 0 7 16 1 0 0 0 0 7 28 1 0 0 0 0 7 47 1 0 0 0 0 8 26 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 23 2 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 19 25 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 27 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 50 1 0 0 0 0 M END $$$$