MMs02087658 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 1.5000 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 2.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 3.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7598 -1.2471 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3598 -2.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2597 -1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2398 1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 0.0807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2397 1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4797 2.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2197 3.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7197 3.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4796 2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7396 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 0.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9996 0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4596 5.2998 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.6997 6.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9596 5.3113 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0198 -2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7798 -3.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 -1.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -0.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5548 3.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 1.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 3.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 4.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 4.5063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 1.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 2.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -0.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 -2.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 -1.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1077 -0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2797 2.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 5.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6796 2.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0088 -1.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1995 0.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9903 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 1.3163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5918 1.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 -2.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9279 -3.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 49 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 49 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 50 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END