IFLAB-ZINC04519602 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2190 -0.5500 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.7210 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 1.9580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.0290 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5700 -2.5820 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -2.3850 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -3.8220 -1.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -4.3670 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.6640 -3.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -5.8060 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -6.4720 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -7.8200 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -8.2450 -1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -6.9490 -1.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.4650 1.4470 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.8760 1.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -1.6200 1.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.0040 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -2.9160 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.5550 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -1.2820 4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.3700 4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -0.7340 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -0.8280 6.2680 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9480 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5970 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 3.0240 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -2.1220 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -1.8310 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -4.3820 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -5.9880 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -8.4880 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -9.2700 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -3.9100 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -3.2670 4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 0.6240 4.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.0230 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END