MMs01311564 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 67 0 0 0 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 1.2570 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7822 -2.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3181 -4.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -1.4494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -0.2826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0987 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9142 -2.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4122 -2.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0948 -1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2793 0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 -3.2591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 -4.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 -2.7199 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -4.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 -1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 -2.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 -0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1991 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 -3.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3659 -3.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 -5.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7657 -2.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9325 -3.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6996 -5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8664 -6.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2662 -5.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4991 -4.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3322 -3.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5651 -1.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9649 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1317 -2.3124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8988 -3.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8317 -0.5630 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 0.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -0.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2067 0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3599 2.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 1.4778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3681 -3.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0646 -3.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2932 -1.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 1.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 0.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 -4.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 -5.9263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 -4.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 0.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4515 1.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -4.3087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 -1.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5798 -5.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6801 -7.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1996 -6.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6317 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1512 -0.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8323 -4.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 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 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 36 37 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 38 63 1 0 0 0 0 M END