IFLAB-ZINC05154576 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.8740 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -2.6970 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -2.2620 -2.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -3.2020 -2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -1.3020 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.0220 -3.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 0.3690 -2.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -1.6660 -4.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -0.6910 -5.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -0.9270 -6.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 0.1220 -7.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 1.3000 -6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 0.9940 -5.2260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -2.6050 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 0.0340 -8.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 2.2700 -7.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 12 2 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 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 M END