MMs02087994 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 53 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 1.3043 0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0555 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8333 -0.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0984 0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1091 2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 2.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4134 2.9259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7071 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6964 0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2944 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3051 2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0114 2.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6094 2.8888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6201 4.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3265 5.1480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.9245 5.1295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9352 6.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2395 7.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2502 8.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 -2.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -0.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -0.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6802 1.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 -0.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9608 -0.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 -0.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2816 0.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 4.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6529 0.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9815 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3293 0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0200 4.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6444 2.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9594 4.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7519 6.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5328 7.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2744 6.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2937 9.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2153 9.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5004 0.7037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5089 1.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 -2.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4704 -3.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 50 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M END