MMs02503080 MOE2007 2D CORINA 3.40 0006 02.08.2006 69 69 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 -0.7548 -1.2963 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3548 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7644 -3.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 -2.6036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 -1.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -3.9054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8356 -2.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4807 -5.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2259 -6.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 -7.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 -6.5090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3221 -7.5505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0278 -5.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 -3.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 -5.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4903 -2.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 -1.5733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9903 -2.6203 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3903 -1.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 -3.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2355 -3.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9807 -5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4807 -5.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7451 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2451 -1.3296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8413 -2.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8490 -0.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 -1.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6000 -1.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7000 0.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2452 1.3185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8452 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4903 2.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 2.6092 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5904 3.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 1.3074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6452 2.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 1.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 3.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9807 5.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 6.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7451 1.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 -1.2796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7548 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5096 -2.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6038 1.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 -4.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 -5.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 -4.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 -5.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0315 -2.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3647 -3.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 3.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 4.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3413 2.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6586 -2.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4585 0.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0961 1.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5414 -0.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2259 -6.5257 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 69 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 41 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 49 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 48 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 45 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 45 62 1 0 0 0 0 45 63 1 0 0 0 0 46 47 1 0 0 0 0 48 64 1 0 0 0 0 49 50 1 0 0 0 0 49 65 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 66 1 0 0 0 0 52 67 1 0 0 0 0 52 68 1 0 0 0 0 M CHG 1 69 -1 M END