IFLAB-ZINC04075885 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -4.8060 -0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9480 -4.3760 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -6.3150 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -6.9290 -1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -6.9080 0.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -6.1640 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -6.6280 3.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -7.9800 3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -8.5580 4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -9.9200 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -10.7140 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -10.1440 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -8.7820 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -12.0560 3.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -12.8150 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -4.4520 1.5900 S 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -7.8770 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -7.9410 5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -10.3680 5.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -10.7660 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -8.3390 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -12.4590 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -12.6960 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -13.8680 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 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 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END