MMs02508235 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 81 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 1.4999 0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7605 -1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5211 -2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -2.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 -1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 -1.2316 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0209 -2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5209 -2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2602 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7602 -1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6319 0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0745 -1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6518 -2.4011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6640 -3.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0943 -4.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9661 -3.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2685 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6438 -0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8501 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6811 2.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2253 0.1594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4316 1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2626 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8069 0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1568 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1513 2.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6761 3.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2064 4.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6707 5.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1955 6.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1901 7.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7258 6.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0098 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 1.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 -1.7002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -2.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -0.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 -0.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9591 -0.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4294 -3.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1294 -3.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0911 1.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3912 1.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4696 -3.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4241 -5.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6152 -5.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1384 -4.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8513 -2.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8644 -3.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3985 1.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9314 1.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3605 -1.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4708 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4550 2.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1274 3.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0703 2.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3278 -0.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9071 -0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2860 1.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1019 0.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4103 2.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8465 4.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8849 7.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0884 6.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9857 8.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2918 8.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9657 8.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 7.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4859 5.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 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