MMs02068757 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 -1.5000 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2501 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 2.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7499 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 3.8969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 4.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 5.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 6.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 5.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 7.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5589 7.8948 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 6.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7457 2.9388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6766 4.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2166 2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7529 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6838 2.4475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6874 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1547 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1583 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6255 0.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 -1.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 -1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4501 1.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5997 3.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 1.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 7.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0672 8.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8742 5.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2082 7.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3748 1.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0547 3.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6697 0.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1369 0.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7052 2.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1724 2.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1406 -0.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6077 -0.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4284 -0.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END