BWQJ28 -OEChem-04022107132D 60 65 0 1 0 0 0 0 0999 V2000 6.1279 -0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5202 -1.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 3.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.7461 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6600 -0.2747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 -0.7914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8484 -2.2947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9491 -3.2897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4297 -2.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9264 -3.5013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.2539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7539 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7539 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5241 -0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3920 -0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2561 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2522 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1240 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1163 -2.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9843 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7635 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3493 -1.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1475 -1.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1475 1.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3493 1.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 -1.2289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 -1.2289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 0.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 1.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 2.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7924 0.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9953 0.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 3.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7758 -0.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 -0.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 0.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7141 -2.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1264 0.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8947 -1.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 20 2 0 0 0 0 3 28 1 0 0 0 0 3 30 1 0 0 0 0 4 30 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 32 1 0 0 0 0 7 34 2 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 35 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 1 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 1 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 35 60 1 0 0 0 0 M END $$$$