MMs01879540 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 1.5000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 -1.3054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0463 -1.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 -2.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 -1.3096 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1463 -2.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2536 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0073 2.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5073 2.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2536 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8536 0.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7536 1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 -0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5073 2.5601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0073 2.5558 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4073 3.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7536 1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2536 1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9999 -0.0507 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.4999 -0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7609 3.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2609 3.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 1.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4551 -1.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 -3.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 -3.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -1.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 1.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9653 2.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8808 2.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2190 3.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3022 3.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 2.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6264 -0.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2883 -1.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8712 -0.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -1.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9102 3.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6248 0.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9586 0.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0485 2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3824 1.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4965 -1.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6999 -0.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5033 1.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 -3.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0146 5.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 -2.6107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6927 -2.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6175 6.1914 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 60 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 55 1 0 0 0 0 28 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