MMs03225519 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 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 1.3905 -0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 -2.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5618 -2.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 -3.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -1.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1348 -1.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -0.9678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2781 -0.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7590 -1.3821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9181 -1.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5985 -0.1390 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1985 0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6757 1.0435 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8272 1.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2659 0.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 2.4852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5456 2.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9599 4.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9185 5.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3328 6.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4628 5.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6297 5.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0486 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5929 3.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4155 4.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0976 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8918 -1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1868 -2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3909 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0959 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5950 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3891 -1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6842 -2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1851 -2.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8883 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2713 -2.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3064 -3.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8294 -3.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8187 -5.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8538 -6.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3661 -7.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8431 -8.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 -7.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2957 -5.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3554 -9.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 1.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 0.4502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 -1.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 -2.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 -3.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 0.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 1.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4984 -2.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0262 -2.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3787 1.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7052 3.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5800 4.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1259 5.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4605 1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1589 1.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3195 -3.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6211 -3.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9295 -2.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0875 -1.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8471 0.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 -6.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5942 -8.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9896 -7.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 -4.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2275 -9.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7652 -10.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4832 -9.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 55 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 56 1 0 0 0 0 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