MMs03133648 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 62 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 1.2936 0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6089 -1.4812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6089 -2.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 -2.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 -3.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 -1.4624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 -2.2029 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5113 -1.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5222 -3.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 -4.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1202 -3.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8374 -5.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8049 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1093 -2.1841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4029 -1.4248 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4029 -2.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6856 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2836 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2728 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9683 3.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6748 2.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5663 3.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7073 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0009 -1.4060 0.0000 O 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 0.6075 -1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 1.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 2.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 3.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 2.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0003 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 -0.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3389 -3.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1199 -4.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8658 -5.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7277 -4.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1550 -3.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 -2.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8461 -7.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0374 -5.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1137 -2.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2118 -0.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9735 1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9944 -0.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3272 0.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9596 4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 2.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5577 4.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 -1.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7182 -3.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 -2.2405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -3.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7617 -4.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 60 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END