MMs03215361 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 44 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 0.7439 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -2.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -3.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -3.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0122 -2.5980 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9755 -5.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2194 -6.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4877 -2.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 -1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 1.2461 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4560 1.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0121 2.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5121 2.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0141 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0420 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 -4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -4.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 -5.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8145 -7.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 -3.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6134 -3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8695 -1.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5299 -2.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 0.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7139 1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7860 -1.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1256 -0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6303 1.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9699 2.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3950 -1.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 -2.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 -1.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 -0.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 3.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 -0.0565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1999 -0.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8731 4.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 39 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 11 39 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 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 37 42 1 0 0 0 0 39 40 1 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 7 1 M CHG 1 19 -1 M END