MMs02958779 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 67 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 -0.7488 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2488 -1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 -2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2463 -3.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 -2.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2488 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7488 -1.3055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4975 -2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7463 -3.9035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7489 -5.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4357 -6.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1198 -4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4182 -5.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7179 -4.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8761 -2.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3436 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0924 -3.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0876 -5.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5840 -4.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1928 -5.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6845 -5.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5673 -4.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9585 -3.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4669 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8413 -1.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3330 -1.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.0589 -4.5434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.9645 -2.9185 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 -3.9021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8463 -4.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4951 -5.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 -5.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 -6.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9926 -7.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4926 -7.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2438 -6.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -9.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 -9.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 -0.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 1.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 0.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 -1.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -2.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4170 -6.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9851 -2.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8328 -1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4866 -6.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1715 -6.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9798 -1.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 -4.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -6.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0916 -8.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4438 -6.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7402 -10.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4586 -9.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 -7.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5398 0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2325 -0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.9388 0.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 54 1 0 0 0 0 37 55 1 0 0 0 0 38 39 1 0 0 0 0 39 56 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 40 59 1 0 0 0 0 40 60 1 0 0 0 0 40 61 1 0 0 0 0 62 63 1 0 0 0 0 M END