BEM06J -OEChem-04042104093D 41 43 0 0 0 0 0 0 0999 V2000 3.6712 1.9621 1.6223 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0523 1.3035 -1.2292 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 -0.0346 -1.0370 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 2.1043 1.0538 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 1.4777 -0.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 2.6734 -0.5312 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -2.3522 0.5531 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8184 -2.6368 -0.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 -2.8996 -0.6481 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 1.8700 1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 1.2356 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 3.0025 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 2.3844 -1.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 1.2400 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7864 -1.4579 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -2.4613 1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -1.9184 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 -1.7254 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -1.5085 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3512 -0.3437 1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 -1.7926 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2883 0.5368 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 -0.9119 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 0.2527 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 2.1461 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 0.9926 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 0.3019 -1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 1.1420 -2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 3.9281 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 3.1998 1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 2.1307 -2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 3.2891 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 1.8438 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 -2.2774 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -1.2314 1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -3.4975 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.2960 2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4179 -1.2284 2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 -0.1239 2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 -2.6987 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 -1.1496 -2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 33 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$