IFLAB-ZINC04271829 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0870 1.5020 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -0.6660 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -2.0470 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.7710 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.1040 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -0.7240 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -4.1720 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.8510 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -6.2150 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -6.8830 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -8.1050 0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -6.1730 1.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -4.8570 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -3.9650 2.6680 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -5.3430 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -4.8040 5.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -3.6070 5.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -5.6530 6.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -5.1570 7.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -5.8830 8.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -5.2440 9.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -3.9140 9.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -3.4980 7.9830 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -4.1660 -2.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 1.8690 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 1.8410 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 1.8840 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.1020 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -2.5630 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -2.6650 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -0.2040 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -6.7740 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -5.9740 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -5.9320 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -6.6110 6.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -5.7560 10.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -3.2150 10.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -3.1980 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -4.6520 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 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 16 34 1 0 0 0 0 16 35 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 36 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 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END