MMs03168742 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 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 1.2790 0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 2.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 1.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 -3.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -3.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 -4.3324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0136 -5.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -5.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -5.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4815 -6.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7656 -8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 -8.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 -7.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 -9.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9131 -4.2933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 -2.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8453 -1.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1284 -2.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 -4.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4116 -4.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1274 -2.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3438 -1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8443 -1.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 -2.8185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4106 -4.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3427 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8422 -1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6259 -2.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1254 -2.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8412 -1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0576 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5581 -0.1430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7734 1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2729 1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0565 -0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3407 -1.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5560 0.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9897 2.4934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 0.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0232 -0.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 2.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1316 3.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 1.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 0.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 2.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -3.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 -4.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 -1.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7465 -2.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7975 -9.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1383 -9.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6565 -7.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -6.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -6.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -8.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5225 -9.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -10.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 -9.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -5.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3394 -5.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0385 -5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 -0.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 -0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 -4.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0375 -5.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4338 -3.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2048 -1.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5202 -0.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0532 -3.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1830 -1.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1287 1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5624 3.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7902 2.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 46 1 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