MMs02248580 MOE2007 2D CORINA 3.40 0006 02.08.2006 30 30 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 -0.7414 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2413 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 -1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2413 1.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2585 -1.2642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7585 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5171 -2.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7757 -3.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0171 -2.5383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7757 -3.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2756 -3.8223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2657 -2.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2856 -5.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 2.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 2.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -2.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1655 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6654 -2.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5423 -0.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8834 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6101 -1.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6508 -4.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9919 -5.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7756 -3.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3825 -4.8476 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 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 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 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 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 29 30 1 0 0 0 0 M END