MMs01296468 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 1.2948 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -2.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 -0.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2045 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5077 2.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4909 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 -0.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6870 -0.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -2.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2850 -0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2766 -2.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5714 -3.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8746 -2.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8830 -0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 -0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1694 -3.1019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.4122 -4.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9267 -1.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4643 -3.8591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 -3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7759 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0791 -0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3739 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3655 -3.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0623 -3.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0539 -5.3737 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0359 0.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 -1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 -1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 -2.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 -3.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 -2.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 0.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 0.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 2.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 3.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 2.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4842 -1.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6260 0.8653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1686 0.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9969 1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2340 -2.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5647 -4.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9256 -0.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5949 1.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4575 -5.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7400 -1.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0858 0.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4165 -1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4014 -3.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 46 1 0 0 0 0 12 13 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 16 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 M END