IFLAB-ZINC02711519 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.3110 -1.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.8040 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.8270 -1.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -2.7060 -2.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -2.9010 -2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -3.2460 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -3.2080 -4.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -2.9130 -3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -2.7830 -4.1510 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -3.1660 -5.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -3.1130 -6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -1.9260 -6.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -1.8770 -7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -3.0160 -7.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -4.2040 -6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -4.2530 -6.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 -2.9550 -7.7640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -1.9840 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -3.7260 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -2.5020 -4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -4.2420 -4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.4360 -6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -4.1640 -6.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -1.0370 -6.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -0.9500 -7.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -5.0930 -6.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -5.1810 -5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 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 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 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 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 M END