MMs01692472 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 41 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 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -2.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -3.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -3.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 -2.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 -0.1440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 1.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 -0.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9864 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 -3.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8102 -4.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 -2.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -3.7482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -3.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2012 -4.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6238 -3.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9232 -2.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 -1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3774 -1.8028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0994 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7470 -4.7854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 1.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 0.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -4.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3918 -4.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1646 -0.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9599 -1.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4715 -2.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0613 -1.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9617 -5.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5075 -5.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8851 -4.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END