corina 01241408063D 1 1.00000 0.00000 0 CORINA 3.49 0023 12.04.2013 50 51 0 0 0 0 999 V2000 -0.0168 1.3867 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.0929 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3837 1.4121 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 2.1699 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 3.5643 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 4.2669 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 3.5861 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2387 4.2989 -0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 3.6141 -0.0644 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5821 4.2809 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5600 6.0167 -0.0532 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 3.5663 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8745 2.2172 -0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1559 1.5849 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9748 0.0657 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9029 4.1880 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 2.1954 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 1.4892 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 0.0177 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -0.6849 -0.0133 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 -1.1967 -0.7169 0.0101 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 -2.1177 0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 -2.7845 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 -4.2464 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -4.8681 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 -4.9060 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 -6.3338 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2602 -6.9004 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8145 -1.9360 0.0296 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 1.9135 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 3.1727 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 4.0933 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 5.3467 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2263 5.2688 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 1.8939 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7198 1.8759 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4109 -0.2253 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9521 -0.4166 -0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4323 -0.2433 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0013 1.6686 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 0.4093 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.5113 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -1.7648 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 -0.2427 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 -6.6813 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6976 -6.6718 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -6.5529 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -6.5624 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 -7.9895 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 2 2 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$