B54INS -OEChem-04012115123D 39 41 0 0 0 0 0 0 0999 V2000 -7.8254 -0.5513 0.6405 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -1.7863 0.8672 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 3.4230 -0.5621 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -1.5189 -0.5762 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 1.5232 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8399 0.7864 -0.5614 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 -3.2944 -0.1172 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 0.2282 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2278 0.0442 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 -0.8285 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 -0.4860 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7251 -1.5824 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7513 -0.0146 1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -0.0743 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 1.7272 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5877 -2.4094 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -0.8184 0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1217 -0.1921 1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4453 -0.2519 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9686 -0.3108 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 -2.4727 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 -0.8817 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4274 -1.7089 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -2.1904 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 3.3214 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 4.6263 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3172 5.6930 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 -2.2926 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 0.0766 2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6826 -0.0301 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 -3.0093 -1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 -0.1758 1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5135 -0.2358 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0916 -0.3426 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5995 -3.1213 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 -0.2827 1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 2.6298 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0528 2.9160 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 6.6392 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 15 2 0 0 0 0 6 11 2 0 0 0 0 6 15 1 0 0 0 0 7 24 3 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 30 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 22 2 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 3 0 0 0 0 27 39 1 0 0 0 0 M END $$$$