BZWC49 -OEChem-04022107132D 57 61 0 1 0 0 0 0 0999 V2000 2.8660 3.1237 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 -1.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1237 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8622 0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4545 -1.4071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0506 -1.9171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1513 -2.9120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6320 -2.2596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1286 -3.1237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9561 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8622 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3186 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9657 -1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 -0.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 -0.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 -0.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 2.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 2.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 0.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0712 1.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 0.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 0.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 0.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 0.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3287 0.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7285 -0.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3162 -2.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0969 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 20 2 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 27 2 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 30 3 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 34 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 6 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 1 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 30 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$