IFLAB-ZINC02723639 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.9590 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 1.1490 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5170 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 1.5340 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 0.6010 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -0.5760 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 1.0210 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4430 -0.4500 -0.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 0.3130 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2640 1.6050 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5900 1.8190 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 0.6280 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2300 -0.3390 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 -1.7280 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2790 -2.3080 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4700 -3.6760 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 -4.4690 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9570 -3.8920 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -2.5230 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 -5.8060 -0.1230 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 2.4760 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 1.6200 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 1.6110 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0740 2.7850 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2790 0.4600 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7940 -1.6900 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1340 -4.1280 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4430 -4.5110 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 -2.0730 1.5380 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END