IFLAB-ZINC04248873 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 11.2630 1.6050 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5900 1.8180 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2100 0.6260 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2270 -0.3380 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 -1.7890 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -2.3020 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4080 -2.4200 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8990 -2.9390 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5760 -3.1070 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2590 -2.7260 -2.1640 O 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 2.7840 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2760 0.4570 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4060 -2.0200 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -2.2660 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4370 -2.1660 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4640 -3.1580 -4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8850 -3.4890 -4.1500 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 9 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 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 31 1 0 0 0 0 13 32 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 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 25 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 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 M END