IFLAB-ZINC04519613 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.6880 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0980 -2.3270 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -4.1950 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -4.9660 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -6.3280 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -6.6620 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -5.2060 1.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -2.1030 1.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -2.6250 2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -0.7200 1.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -2.9000 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -4.1350 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 -4.7610 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 -4.1520 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 -2.9160 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -2.2880 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0030 -4.9370 1.3380 Cl 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 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.5100 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -2.5200 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -4.5590 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -7.0630 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -7.6720 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -4.6110 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 -5.7260 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 -2.4400 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 -1.3220 0.3630 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 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 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 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 34 1 0 0 0 0 21 35 1 0 0 0 0 M END