BM3IE0 -OEChem-04042106023D 40 43 0 1 0 0 0 0 0999 V2000 5.5917 0.4886 -0.3505 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2292 2.6635 -1.6405 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8305 2.5955 0.5744 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 -2.4937 -1.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -1.4440 0.1441 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.7849 0.0351 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 -2.7773 -0.4596 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -1.8972 -0.4589 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 1.6585 0.2278 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 2.1328 -0.0651 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 -2.5833 -0.0169 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4245 -0.3102 0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 0.2714 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -2.0931 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 -3.5632 1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 -0.7040 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 -1.5552 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1513 -0.4664 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8982 0.4712 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 0.6035 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 -0.5019 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 1.6379 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8739 0.5327 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 2.5478 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 1.6026 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 3.9685 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -3.1153 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2326 -0.6971 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 0.4773 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 0.8019 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 0.9545 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 -3.0976 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -4.4332 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1359 -3.9227 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 0.6413 -1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -1.3307 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 0.5055 2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 4.5999 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 4.1520 0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 4.2799 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 4 17 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 16 2 0 0 0 0 9 19 2 0 0 0 0 9 24 1 0 0 0 0 10 24 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$