MMs00474988 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 60 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 1.2960 0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 2.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 0.7655 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8941 -0.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2021 -1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 0.7758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7942 1.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8001 -1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1021 -2.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3982 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1081 -3.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0902 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0842 2.2861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3803 3.0413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3411 3.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6823 2.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6883 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9783 3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3743 4.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0723 5.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6704 5.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6644 6.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6041 1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 -1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 1.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 2.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 3.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 -0.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 -0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4874 1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 -1.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 -2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 -2.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 -2.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4350 -0.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7941 -0.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 -3.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1129 -4.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3081 -3.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0426 2.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7215 1.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4883 0.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6930 -0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8883 0.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5825 2.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0152 3.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3742 4.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8644 6.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6596 7.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4644 6.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 2.2655 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0881 2.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 3.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 2.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 58 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 M CHG 1 58 1 M END