MMs00579015 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2955 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 -2.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 -1.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 -2.2192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 -1.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1038 -2.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3993 -1.4507 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 -2.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8658 -3.6855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3344 -3.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 -2.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0693 -1.5779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3742 -0.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5693 -2.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1729 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6639 -0.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5513 -2.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9477 -3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4567 -3.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6049 1.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 -0.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 -1.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 -2.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 -3.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 0.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8878 1.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 -3.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3369 -3.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 -3.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 -0.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6181 1.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1992 0.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4629 -0.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7442 -2.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6577 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 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 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 M END