BKBP72 -OEChem-04022101392D 47 50 0 1 0 0 0 0 0999 V2000 7.6651 0.9554 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7176 4.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 4.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0149 2.0392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 0.7774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.0880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 0.2800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 -0.5300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4752 1.5418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7523 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 2.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4285 2.8492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4257 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7391 3.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -0.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 1.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3490 3.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 2.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0410 2.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1725 0.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9621 0.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6349 2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 0.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9103 4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 14 3 1 6 0 0 0 3 41 1 0 0 0 0 15 4 1 6 0 0 0 4 42 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 6 24 2 0 0 0 0 16 7 1 1 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 40 1 0 0 0 0 9 23 2 0 0 0 0 9 25 1 0 0 0 0 10 22 2 0 0 0 0 10 27 1 0 0 0 0 11 26 1 0 0 0 0 11 27 2 0 0 0 0 12 26 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 1 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 24 1 1 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 25 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 27 45 1 0 0 0 0 M END $$$$