B85ICH -OEChem-04022115413D 42 45 0 0 0 0 0 0 0999 V2000 5.5736 -0.6211 0.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7249 -0.2842 0.6469 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 1.9907 0.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 2.6866 -0.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 1.3224 -0.8221 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5453 -1.6752 -1.5125 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1939 1.0291 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 2.2594 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -0.3238 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6317 2.9109 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7928 -1.1273 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3717 1.0209 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.9438 -1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 1.7470 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 0.5768 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 -2.5254 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 0.4040 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 -2.3414 -1.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6565 -3.1180 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -0.7552 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.3901 1.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 -1.7215 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -1.5391 1.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 2.4136 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -0.9953 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 2.0037 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 2.9887 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 3.8287 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 3.2248 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9903 1.8252 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5502 -0.5860 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 1.6949 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 -0.3558 -1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 -3.1309 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.8247 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -4.2020 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 -0.2860 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 -2.6213 1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1049 -2.2897 2.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 3.1495 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 -1.9938 -1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4216 -1.8753 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 31 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 14 2 0 0 0 0 4 24 1 0 0 0 0 5 17 1 0 0 0 0 5 24 2 0 0 0 0 6 25 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 2 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$