MMs02434751 MOE2007 2D CORINA 3.40 0006 02.08.2006 84 89 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 1.3634 -0.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5867 0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 1.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 2.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 -0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4015 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 2.5738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 3.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9014 1.4313 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3014 2.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6658 2.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1657 2.7052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5657 3.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9012 1.3979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5012 0.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4011 1.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1655 2.6719 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7655 3.7111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4300 3.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8300 5.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9301 3.9959 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5301 2.9566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1946 5.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6947 5.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9590 6.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2235 7.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1944 5.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6943 5.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6654 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4009 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6365 0.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9008 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6363 0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1362 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9006 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1652 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6652 2.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9296 3.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1941 5.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4006 1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1360 -0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8717 -1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1073 -2.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1368 0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 -1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 1.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 0.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5003 -1.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3558 2.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5576 3.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0623 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5428 3.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8873 3.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1796 0.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5241 0.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2694 8.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 8.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1777 7.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6810 4.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8943 5.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7077 6.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0248 -1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0768 3.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2399 5.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6057 6.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1482 4.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0902 -0.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7244 -1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1819 0.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0748 -1.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4958 -3.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1398 -3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2598 -0.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9153 -1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 -2.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9955 -1.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2404 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5678 -2.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6369 0.1240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 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 54 1 0 0 0 0 5 6 1 0 0 0 0 5 55 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 56 1 0 0 0 0 9 10 2 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 84 1 0 0 0 0 15 16 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 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 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 38 46 1 0 0 0 0 39 40 2 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 68 1 0 0 0 0 42 43 1 0 0 0 0 43 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 44 45 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 46 47 1 0 0 0 0 47 75 1 0 0 0 0 47 76 1 0 0 0 0 47 77 1 0 0 0 0 48 78 1 0 0 0 0 48 79 1 0 0 0 0 48 84 1 0 0 0 0 49 50 1 0 0 0 0 49 80 1 0 0 0 0 49 81 1 0 0 0 0 49 84 1 0 0 0 0 50 82 1 0 0 0 0 50 83 1 0 0 0 0 M END