MMs02170686 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 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 1.1301 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0987 -1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2288 -1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 -1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9372 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8071 0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3564 0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6456 1.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4866 -0.5313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9058 -0.0457 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0359 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4551 -0.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7443 0.9254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6142 1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1949 1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1635 1.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4526 2.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2936 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0045 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1346 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5539 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8430 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7129 0.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6840 -2.5344 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7891 0.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 0.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 -0.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -2.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 0.5499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4834 0.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 -2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -2.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9975 -3.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5522 -2.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 2.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4837 1.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 -1.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6156 -2.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6405 -1.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6549 -0.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5482 2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0345 2.9624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9951 1.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0095 2.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8691 -1.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9033 -3.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9784 0.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9442 2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 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 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END