MMs03127379 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 65 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 -1.5000 -0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 -1.3144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 -3.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 -2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -1.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -1.3246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4305 -0.1655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6144 -2.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0441 -2.0904 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0441 -3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0544 -0.5904 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0544 0.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -0.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2739 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8595 0.5369 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.9862 1.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0790 1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4452 0.7908 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.4452 1.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7470 -0.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2377 -0.8455 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.6377 -1.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8571 0.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7493 1.5319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.9084 1.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9163 3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2907 3.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.4243 4.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9788 -2.1496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.3593 -3.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4672 -4.5270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.7713 -3.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4695 -2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5910 -1.3205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.0144 -1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3162 -3.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.1947 -4.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4965 -5.7285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2516 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 -4.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 1.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8659 -2.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 -3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -3.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4164 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9517 1.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5528 -0.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7388 -1.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7187 2.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6339 4.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1839 -3.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.9116 -0.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6352 -6.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5993 -6.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7329 -0.6826 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 61 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 58 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 59 1 0 0 0 0 42 60 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 61 -1 M END