B2CSH9 -OEChem-04012119192D 53 56 0 0 0 0 0 0 0999 V2000 8.9942 -2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 0.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 0.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -2.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -2.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -3.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -3.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2414 -3.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2414 0.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -0.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -1.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -1.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 0.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0553 2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -1.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -3.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -4.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -3.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3664 0.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 1.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7464 1.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6343 3.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 4.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0143 4.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 23 1 0 0 0 0 3 31 1 0 0 0 0 4 24 1 0 0 0 0 4 32 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$