IFLAB-ZINC04941565 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 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 -0.0200 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 1.1550 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.9590 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 1.1470 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5190 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 1.6360 -0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 0.0110 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 0.1880 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 -1.1850 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 -1.0150 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5820 -2.0960 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1010 -3.2130 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9210 -1.9400 -0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7500 -3.0540 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0630 -2.8830 -0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8810 -3.9220 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3480 -5.2020 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9690 -5.3450 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2090 -4.2630 -0.1370 N 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 1.1250 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 -0.5460 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -0.5370 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9420 0.7460 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 0.7360 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 -1.7420 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 -1.7330 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1620 -0.1250 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3050 -1.0500 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9510 -3.7760 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9930 -6.0680 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5220 -6.3280 -0.1570 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 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 27 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 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 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 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 M END