D0DT4R Wcorina 10100417253D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 56 57 0 1 0 0 0 0 0999 V2000 -0.3585 4.4551 0.0157 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 1.4248 0.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7865 -2.5713 1.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 -1.5791 2.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 5.4454 -0.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4011 -6.8137 -0.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 -6.7308 -0.3676 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 -0.4793 -3.3507 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3623 1.5682 -3.4295 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3971 3.0269 -1.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3756 0.1823 -5.3101 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 -2.5931 0.0153 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4126 -2.0635 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -4.1171 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.5336 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 -4.6356 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -2.2105 1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 2.0582 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.9627 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 1.1572 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3592 1.3192 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 -6.1367 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 3.4443 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 3.3431 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 0.8953 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 4.0874 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0178 1.8347 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 -0.2789 -2.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0006 0.4292 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 6.0402 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 -2.1613 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -2.4246 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 -2.4150 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 -4.3968 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 -4.5536 0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -0.1726 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -0.1821 0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 -0.3556 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 -0.3651 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8249 -4.3559 0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 -4.1991 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6433 1.7127 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6919 0.2084 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 0.2400 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 3.8435 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -1.0259 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 3.6744 -2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1418 3.2142 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 5.7235 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 5.7249 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 7.1258 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1172 -0.6479 -5.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 0.8393 -5.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 -2.3030 2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3394 -7.7753 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 55 1 0 0 0 0 4 18 2 0 0 0 0 5 27 1 0 0 0 0 5 31 1 0 0 0 0 6 23 1 0 0 0 0 6 56 1 0 0 0 0 7 23 2 0 0 0 0 8 29 1 0 0 0 0 8 30 2 0 0 0 0 9 28 2 0 0 0 0 9 30 1 0 0 0 0 10 28 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 30 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 23 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 29 47 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$