MMs00705181 MOE2007 2D CORINA 3.40 0006 02.08.2006 46 47 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 1.4412 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 -0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -1.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4852 -0.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8455 0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2866 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3675 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0072 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5661 -1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8087 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1689 1.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8895 -0.6240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3307 -0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6910 1.2481 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4115 -1.2481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8527 -0.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2130 0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6541 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7350 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3747 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 -1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4556 -2.4962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.1761 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5364 1.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 1.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 -0.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3328 -1.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 1.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4107 1.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 -1.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 0.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9808 1.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 2.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8719 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 -3.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 -1.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1233 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3483 1.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9424 2.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6453 -3.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2570 -0.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4099 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 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 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 45 46 1 0 0 0 0 M END