MMs02459768 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 -2.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -3.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 -5.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 -3.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -3.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0187 -2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -6.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 -6.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 -6.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 -7.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 -8.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -9.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 -9.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -11.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9664 -8.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -7.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6759 -6.2272 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7152 -5.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 -4.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7068 -3.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 -6.9877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2739 -6.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2861 -4.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 -7.0087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8719 -6.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 -7.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4699 -6.2903 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -11.3951 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -11.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -0.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 0.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -1.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -1.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6112 -1.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 -3.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2882 -5.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4969 -6.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 -7.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 -6.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 -9.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1623 -8.5609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 -5.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4061 -3.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 -2.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 -3.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 -8.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5571 -8.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 -5.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6507 -5.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3861 -7.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9287 -7.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 -10.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 -11.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0594 -12.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 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 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 32 33 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END