MMs01145454 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.0031 -1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -2.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -3.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4736 -1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 -0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 -1.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9442 -2.7234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4360 -2.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0454 -3.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9302 -4.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -4.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5163 -5.1936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1257 -6.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -6.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1867 -1.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 0.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6867 -1.2695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4360 -2.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9360 -2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6867 -1.2710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9373 0.0284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3373 1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6880 1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1867 -1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9373 0.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9360 -2.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4360 -2.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1854 -3.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 0.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8025 0.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 -0.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -2.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 -4.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 -4.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8419 0.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 -0.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -0.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 -4.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 -7.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4201 -7.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 -2.9787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6438 -3.7508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7270 -3.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0634 -2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3099 0.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6463 1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7269 0.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2885 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6491 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8082 -2.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1438 -3.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1458 -4.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7848 -4.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2249 -3.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 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 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END