BH4JT6 -OEChem-04022110412D 50 52 0 0 0 0 0 0 0999 V2000 4.5574 3.7995 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 -0.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 2.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 1.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 2.7649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -3.2895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 -0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 2.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 1.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 -1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -2.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -3.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7824 0.1572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 0.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 0.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.1572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 -1.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7824 -0.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -1.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9073 -1.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7044 -1.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7088 0.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 3.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 0.9320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 2.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 -0.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 -2.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -1.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 -1.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -2.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 -3.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -4.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -4.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 -4.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 -4.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 -3.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 35 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 36 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 M END $$$$