BTX7U2 -OEChem-04022101372D 42 45 0 0 0 0 0 0 0999 V2000 7.2098 -0.4966 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 1.5067 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.8114 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 -3.7667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7423 -3.5944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1662 -2.3631 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -1.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9529 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 0.2466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.2019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8789 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 2.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 -2.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8571 -1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 -2.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -2.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 -1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2172 -2.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 0.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 2.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 -0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1303 3.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3491 4.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 3.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0474 -3.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 -1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 -3.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 23 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 15 2 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 31 1 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 20 27 2 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 28 1 0 0 0 0 26 39 1 0 0 0 0 27 29 1 0 0 0 0 27 40 1 0 0 0 0 28 29 2 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$