IFLAB-ZINC04314693 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0220 -0.6940 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.1040 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7260 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0320 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6260 -2.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.2000 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -3.0350 2.6200 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -4.7150 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -5.7100 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -5.3230 4.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -7.0320 2.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -7.9500 3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -9.2380 3.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -9.9640 4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -9.2550 5.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -7.5460 5.5140 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -11.4700 4.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1740 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -4.8720 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -4.8480 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -7.3420 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -9.6580 6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -11.8200 4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -11.8500 5.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -11.8310 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 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 20 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 M END