BS5XY8 -OEChem-04022105133D 48 52 0 0 0 0 0 0 0999 V2000 6.2357 3.8725 0.7743 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4551 3.3702 1.9559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7107 -1.9608 -0.0684 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 -3.2111 0.3833 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2298 3.1549 0.9924 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1072 -1.0211 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 -0.4900 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 -2.3726 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -0.6575 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 -0.1400 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -2.7993 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 0.5285 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 0.1833 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 -0.0236 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9728 -0.4471 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1127 0.4856 1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2713 0.0622 -1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1886 1.0556 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 -4.1509 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8477 1.2533 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 -0.0745 -1.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 2.0655 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -5.0322 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 -4.5147 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9861 0.9396 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6907 1.6783 -1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5439 0.7377 -1.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 1.8078 -0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2856 1.4464 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9902 2.1850 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7877 2.0691 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 0.9157 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -0.0445 2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5453 -0.8134 -2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5033 0.8651 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 0.0469 -2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -4.5348 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 1.4379 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 -0.9016 -2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -6.0860 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 -5.1500 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6496 0.4358 1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 1.8189 -2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2036 0.5372 -2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6832 2.4191 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9095 1.3504 1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3795 2.6760 -2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7995 2.4637 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 9 2 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 24 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 32 1 0 0 0 0 11 19 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 27 2 0 0 0 0 21 39 1 0 0 0 0 22 28 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 29 1 0 0 0 0 25 42 1 0 0 0 0 26 30 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$