MMs02396178 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 81 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 0.7432 -1.3029 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5597 -2.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 -1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1578 -2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 -3.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8705 -4.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -3.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 -4.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 -5.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 -3.5597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3256 -4.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 -3.5733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6364 -2.0733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6364 -0.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 -1.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 -2.0597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3489 -0.9006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 -1.3301 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9785 -0.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2344 -2.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2266 -3.5868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9236 -4.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 -5.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5217 -4.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5138 -5.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8246 -3.6004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1197 -4.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7177 -4.3707 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7177 -3.1707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7099 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0050 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9972 -8.1274 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.2923 -8.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6943 -8.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0207 -3.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0285 -2.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5373 -1.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2501 0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 -5.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 -5.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8783 -5.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 -0.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -1.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 -4.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 -0.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -0.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8309 -2.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3436 -5.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8862 -5.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5293 -5.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2936 -6.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4213 -5.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1857 -6.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0997 -7.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6519 -9.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2888 -9.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2266 -4.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 -0.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 1.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6555 1.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2574 1.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6159 1.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 0.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 -5.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 -4.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 -6.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4226 -3.6139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4289 -2.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3158 -4.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 0.1699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3581 -3.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 44 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 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1 0 0 0 0 40 69 1 0 0 0 0 40 77 1 0 0 0 0 41 70 1 0 0 0 0 43 72 1 0 0 0 0 44 73 1 0 0 0 0 74 75 1 0 0 0 0 76 78 1 0 0 0 0 M END