IFLAB-ZINC04078142 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4110 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 2.1650 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 1.5700 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 3.5120 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 4.2230 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 3.7110 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 4.5050 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 5.7810 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.9800 -0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 7.0780 -0.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5240 6.1820 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6620 7.1690 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 8.3600 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9360 6.7290 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9860 7.6390 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2430 7.3230 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1100 8.3190 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5590 9.5340 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 9.3400 -0.0700 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -0.6540 -0.0340 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 3.9870 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5940 5.5500 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 5.5610 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1200 5.7760 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1780 8.1620 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0930 10.4730 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 M END