IFLAB-ZINC04942250 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.0140 1.4620 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.0030 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.6940 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.1000 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.8210 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.0920 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.7150 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.0610 2.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.5830 2.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -4.8880 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -6.3740 4.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -7.1490 3.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -6.8400 5.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -8.2160 5.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -9.1130 5.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -10.4710 5.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -10.9380 6.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -10.0470 7.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -8.6870 7.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -10.6380 8.6640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.7690 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -3.9830 -0.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.0010 -1.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.6610 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.0150 -2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.6410 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 1.8320 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.8260 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.8160 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.6020 4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.1540 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -4.4370 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -4.4500 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -6.2220 6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -8.7500 4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -11.1680 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -12.0000 6.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -7.9920 7.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -2.8070 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -1.9950 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -3.5960 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 24 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 21 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 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 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END