corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3921 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1864 2.1003 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 1.4175 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 0.0339 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -0.6742 -0.0136 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 -1.3041 2.1165 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 1.4976 0.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 3.4635 0.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 6.1668 -5.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 6.4533 -6.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5452 6.7342 -8.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8892 6.7328 -8.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 6.4502 -7.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 6.1615 -6.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 5.2309 2.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 5.4545 0.7822 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8023 6.0613 0.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 6.5717 2.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 7.1894 2.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8124 7.3392 1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 6.3092 0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0414 6.6016 -1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 5.3010 -2.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0988 4.3433 -1.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 4.1084 0.0614 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6127 5.5886 -3.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 5.8646 -4.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5075 5.8650 -4.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6615 2.1666 -0.0213 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6530 3.3846 -0.0146 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7205 1.5651 -0.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2298 -2.1542 -0.0222 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2935 -2.7474 -0.0360 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1842 -2.7789 -0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5319 7.0382 -9.0364 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6515 7.0402 -8.7482 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8814 7.2864 -10.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2786 6.4520 -7.7297 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6190 6.7021 -8.8721 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.1195 6.2033 -6.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 4 5 1 0 0 0 0 17 22 1 0 0 0 0 2 3 1 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 25 26 1 0 0 0 0 17 26 1 0 0 0 0 26 9 1 0 0 0 0 25 24 1 0 0 0 0 6 1 1 0 0 0 0 24 27 1 0 0 0 0 12 13 2 0 0 0 0 27 28 1 0 0 0 0 1 2 2 0 0 0 0 28 29 2 0 0 0 0 28 10 1 0 0 0 0 12 36 1 0 0 0 0 14 39 1 0 0 0 0 13 14 1 0 0 0 0 9 7 1 0 0 0 0 14 15 2 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 15 10 1 0 0 0 0 3 4 2 0 0 0 0 7 8 2 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 16 17 1 0 0 0 0 7 1 1 0 0 0 0 17 18 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 3 30 1 0 0 0 0 16 19 1 0 0 0 0 5 33 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 G 30 3 NO2 G 36 12 NO2 G 33 5 NO2 G 39 14 NO2 M CHG 8 30 1 31 -1 33 1 34 -1 36 1 37 -1 39 1 40 -1 M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 3 30 31 32 M SBL 1 1 40 M SMT 1 NO2 M SBV 1 40 0.7100 0.4200 M SAL 2 3 36 37 38 M SBL 2 1 23 M SMT 2 NO2 M SBV 2 23 -0.7200 0.4100 M SAL 3 3 33 34 35 M SBL 3 1 42 M SMT 3 NO2 M SBV 3 42 0.0000 -0.8200 M SAL 4 3 39 40 41 M SBL 4 1 24 M SMT 4 NO2 M SBV 4 24 0.0000 -0.8300 M END $$$$