B3CIM1 -OEChem-04022118463D 35 35 0 0 0 0 0 0 0999 V2000 -4.2435 2.8180 -0.2487 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 -0.4016 -0.4234 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 0.0224 0.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.6762 1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 1.1993 0.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.5041 -0.5563 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 -0.3854 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -0.2668 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.1523 -0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 -0.3250 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 0.9882 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 -1.4132 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 -0.8262 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 0.2086 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4494 1.0969 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -1.3046 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -0.0496 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 1.1802 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2332 -1.2087 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 0.4253 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 -1.3273 -1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -0.4495 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 0.9381 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4823 1.8789 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -2.3959 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -1.3210 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 -0.5818 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2719 -1.9138 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 -2.2403 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 1.8961 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0237 1.0446 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 1.5916 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2858 -0.9628 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8733 -1.7144 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2045 -1.8549 -0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 10 2 0 0 0 0 5 14 2 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$