MMs02469681 MOE2007 2D CORINA 3.40 0006 02.08.2006 70 70 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 -0.0053 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 1.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -1.3070 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8454 -2.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 -1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -2.6139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 -2.6192 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3908 -3.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 -3.9209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3362 -4.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2362 -3.9262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4362 -3.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9908 -2.6298 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5908 -1.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 -1.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 -1.3228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3454 -0.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7545 1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 2.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4908 -2.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2453 -1.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 -1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4908 -2.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9816 -5.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4816 -5.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2270 -6.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2362 -3.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9816 -5.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7270 -6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2270 -6.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 -7.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -2.6034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7546 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 -3.8944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 -3.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0183 -5.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5183 -5.1802 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -5.1961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7729 -6.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -3.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2503 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4545 1.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2588 2.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2782 -3.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0539 -2.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5370 -0.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1036 0.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4628 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2733 -4.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5380 -3.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1991 -3.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 -7.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 -8.8525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0096 -8.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -3.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 -2.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3899 -3.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8921 -5.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2309 -6.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 2.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 37 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 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 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 44 1 0 0 0 0 41 42 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 42 43 1 0 0 0 0 42 68 1 0 0 0 0 42 69 1 0 0 0 0 44 45 2 0 0 0 0 46 70 1 0 0 0 0 M END