MMs00728784 MOE2007 2D CORINA 3.40 0006 02.08.2006 29 30 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 0.0028 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0364 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -3.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 -1.4951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 -2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 -3.7342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5287 -4.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2763 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 -1.6301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 -2.2524 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5953 -1.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8929 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2644 -1.6497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -0.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2660 -2.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 -2.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5135 -4.0640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9996 -5.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 -3.7493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5986 -0.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 -5.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4695 -2.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 -0.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3683 -0.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END