BWH7C3 -OEChem-04012113293D 40 41 0 1 0 0 0 0 0999 V2000 -4.1785 1.0456 1.5229 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 2.2143 -0.3207 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2269 0.2908 -0.2371 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 -3.9572 -1.1012 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9066 0.1633 -1.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.3551 -0.3601 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6138 1.0469 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 1.0277 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 0.2665 -0.2929 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1198 -0.9351 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 1.1674 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 0.9607 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 1.5941 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 0.8670 -1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 -1.8258 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -1.3477 1.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3624 1.7234 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 0.9961 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4415 1.4243 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 -3.1110 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 -2.6330 1.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 -3.5145 0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 2.1812 2.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 1.2165 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6665 2.0462 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0754 2.0407 -1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 0.5032 -2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 -0.7511 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2237 1.8452 1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 0.5335 -2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 -1.5639 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0149 -0.6880 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 0.7638 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.3121 -1.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 1.5225 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -2.9465 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 -4.5148 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 1.8182 3.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 1.8007 2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 3.2749 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 20 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$