MMs01168731 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 1.3043 0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5004 0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0984 0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2658 2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7352 2.4773 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4759 1.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4643 0.0654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9666 1.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8569 2.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2565 3.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3475 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2378 3.2525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6374 4.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4302 5.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8049 6.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7284 3.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6187 4.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3287 1.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4384 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0388 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5294 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4197 0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8194 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -0.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -0.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6802 1.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.2370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0162 -0.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5588 -0.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3798 2.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4468 -0.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0085 0.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4223 1.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7966 4.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5611 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7663 6.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0025 6.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5229 7.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2459 0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3265 -1.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0097 -2.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6122 0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5316 2.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 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 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END