BJ40SQ -OEChem-04012119372D 43 46 0 0 0 0 0 0 0999 V2000 8.4361 -1.5771 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4140 1.4087 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0590 -0.2525 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -1.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -4.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 -0.9247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0278 3.4613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 3.0946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -2.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -3.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -3.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -2.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -1.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 -1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -3.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -3.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9328 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7698 -2.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8326 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4989 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2872 2.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0089 0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -2.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -3.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -1.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -1.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -3.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -4.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 -1.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 -4.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -3.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9011 -2.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 1.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2028 -0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5978 0.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8150 0.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8966 4.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 3.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2038 3.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 16 1 0 0 0 0 6 20 2 0 0 0 0 7 25 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 25 2 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$