MMs02457462 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 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 -1.2953 -0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 2.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 1.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 3.7564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 4.5128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5366 5.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 3.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 4.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4766 3.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 2.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 6.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 6.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8934 -0.7692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4914 -0.7821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4522 -1.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4840 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7793 -3.0384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0820 -2.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0895 -0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 -0.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3996 1.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6875 -0.8077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7297 -0.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6801 -2.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3774 -3.0513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9754 -3.0641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 -0.0385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8015 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1043 2.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5062 2.2179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5136 3.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2183 4.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2257 5.9743 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 -0.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -1.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6476 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3161 3.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2383 4.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 2.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 2.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 5.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 5.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8874 -1.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4293 0.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 0.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 -2.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -3.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7734 -4.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0176 -2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9695 -4.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 1.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6944 3.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9296 4.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 3.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0376 4.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7719 4.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 6.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 7.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 3.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 7 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 44 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 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 2 0 0 0 0 14 62 1 0 0 0 0 16 17 2 0 0 0 0 16 63 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 33 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 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 55 1 0 0 0 0 32 56 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 57 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 38 39 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 M END