IFLAB-ZINC05043738 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8520 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.1330 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.0140 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -1.0740 -1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -2.0280 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -3.3310 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -4.3220 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -4.0200 -3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -2.6890 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -1.6750 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.4080 -2.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -0.0750 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -1.0220 -4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -2.3370 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -5.2720 -4.1660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -3.5970 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -5.3460 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 0.9600 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -0.7170 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -3.0840 -4.6030 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 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END