MMs02871788 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.2847 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 -1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -2.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2235 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -2.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9196 -2.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1942 -3.8998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 -3.6156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8449 -4.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5968 0.4719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7302 -0.5105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1478 -0.0202 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6575 1.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6382 -1.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5654 0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6988 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1164 -0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4006 1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2671 2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8495 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8182 1.9412 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 1.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0277 -0.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 -1.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 1.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5982 -2.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -3.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 0.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 2.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1104 -2.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2724 0.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5029 -1.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4715 -1.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0232 -0.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4944 3.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9428 2.7290 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END