MMs02451188 MOE2007 2D CORINA 3.40 0006 02.08.2006 67 68 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 2.5981 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 -2.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4949 -0.7529 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4949 0.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7929 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7949 1.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 -0.7540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3923 -1.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3930 1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6910 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6903 -2.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2891 -0.7563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2891 0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2884 -2.2563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2884 -3.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5871 -3.0069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6264 -3.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8865 -2.2575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.9257 -1.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8872 -0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 -0.0069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6277 0.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5891 1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2904 2.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8885 2.2425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1852 -3.0081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1845 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4832 -5.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7826 -4.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7833 -3.0092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4846 -2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4852 -0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0813 -5.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5865 -4.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 -3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 -1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 0.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 0.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1967 1.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -2.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7924 -4.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0924 -1.9540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2111 1.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9830 2.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6929 3.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9909 1.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9275 1.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8890 3.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1450 -5.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4827 -6.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0808 -6.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1208 -4.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5470 -5.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9885 -4.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 -0.7506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 -1.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 66 1 0 0 0 0 2 3 1 0 0 0 0 2 47 1 0 0 0 0 2 48 1 0 0 0 0 2 66 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 52 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 42 64 1 0 0 0 0 43 65 1 0 0 0 0 66 67 1 0 0 0 0 M END