MMs02166797 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 0.2776 -1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -3.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 -3.8813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 -2.5651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -3.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -3.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3053 -0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7027 -1.7989 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 -1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 -2.1766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5818 0.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1442 -1.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 -2.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4954 0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7765 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0927 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3739 -0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3389 -1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0228 -2.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7416 -1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1793 0.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 -0.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 -4.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 -4.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3648 -4.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7677 0.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0898 -0.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -3.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -2.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 -0.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 1.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1483 1.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6906 1.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5282 -2.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3305 -1.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0354 -3.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 -3.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2879 1.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7457 1.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 1.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4269 0.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3639 -2.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9948 -3.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6886 -2.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -0.0181 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1792 1.1819 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 54 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 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 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END