MMs02538962 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 59 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 0.0109 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 1.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 1.3263 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1404 2.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 2.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 -2.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8916 -1.3344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3324 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9092 -3.7614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4561 -5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9912 -5.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9794 -4.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 -4.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 -6.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 -7.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 -6.4815 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6369 -4.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 -5.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9304 -3.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9195 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2130 -1.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6150 -1.0281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 -4.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1348 -1.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 -2.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4135 0.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4247 -0.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 2.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0734 3.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4374 3.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -3.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 -2.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6456 -5.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 -6.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 -3.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 -3.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7107 -8.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3475 -7.8297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8041 0.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5954 1.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6425 -5.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2785 -4.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8273 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -1.2717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 56 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END