IFLAB-ZINC04479907 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 0.1000 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -0.5430 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -1.9400 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -2.6770 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0330 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -2.7550 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.1780 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -2.4550 0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -0.7780 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.0110 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -0.3650 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 0.9500 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 1.7740 0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8790 1.3870 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3030 2.6870 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6710 2.8120 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3470 1.6550 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2800 0.3240 0.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.0790 1.5270 0.1400 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 1.1780 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.7560 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -4.5030 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -4.4860 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -4.6310 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -1.0220 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6300 3.5310 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1650 3.7720 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 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 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END