B7OTS6 -OEChem-04022105412D 39 41 0 0 0 0 0 0 0999 V2000 4.5923 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.9826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 0.7199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.9826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -1.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.0174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6968 0.5119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5058 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0817 1.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2414 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 0.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6347 -1.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 0.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7916 -0.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -1.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -0.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -0.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -1.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6481 1.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3339 2.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5153 1.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -0.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -1.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 6 30 1 0 0 0 0 7 10 2 0 0 0 0 7 18 1 0 0 0 0 8 13 2 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$