MMs00482711 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 42 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 0.7585 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -2.5980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2171 -2.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -2.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -1.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 -3.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -3.9217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1243 -4.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4828 -2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7413 -1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2413 -1.3532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4998 -0.0690 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.1066 0.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0929 -1.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 -5.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7072 -6.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 -0.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 -2.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -1.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -0.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6175 -4.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3579 -2.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -1.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7667 -3.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1077 -3.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6164 -0.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9575 -0.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8344 -2.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2584 1.2448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0584 1.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8652 2.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 -5.2355 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7756 -3.8921 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2597 -4.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 -4.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 -3.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 40 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 M CHG 1 16 1 M CHG 1 39 -1 M CHG 1 40 1 M END