mol.cdx corina 12080917093D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3785 0.0096 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 1.2275 -0.6643 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 0.0201 -0.0199 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 1.3396 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 2.0581 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -2.4257 -0.0231 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -2.8760 -2.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 -2.7724 -2.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7756 -3.9397 -1.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 -3.8581 -2.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 -4.9076 -1.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4131 -4.7203 -2.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4313 -6.0526 -1.3936 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8093 -7.7006 -2.4423 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 -7.6334 -3.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 -8.2728 -3.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7851 -8.2118 -5.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2816 -7.5109 -6.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0478 -6.9003 -6.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 -6.9793 -4.9659 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 1.9179 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 -0.5641 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 1.8643 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 3.1379 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 -2.8202 -3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -1.8309 -2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.8919 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -4.8812 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -4.8800 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 -5.8692 -2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 -4.7480 -3.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7804 -3.7587 -1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3874 -8.8089 -3.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7480 -8.6979 -5.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8500 -7.4442 -7.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6528 -6.3544 -6.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 2 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 A 004 N A 007 S A 008 S A 011 O A 014 S A 015 S A 021 N M END $$$$