MMs00232546 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.5000 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 -1.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 -2.6090 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0439 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 -1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0108 1.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2593 1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 2.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0189 2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2784 3.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0379 5.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5379 5.1411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2783 3.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2403 -1.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7402 -1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 -0.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7592 1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2591 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9996 -0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2401 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 -1.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9807 -2.6859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3136 -5.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4807 -2.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7212 -3.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4996 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0187 2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 2.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 2.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 -2.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1729 0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1842 2.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4113 1.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 3.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 6.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4783 3.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1097 -1.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -2.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9073 0.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8667 2.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8325 -2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4908 -1.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6995 -0.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5083 1.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0623 3.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4263 3.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9751 1.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 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 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 31 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END