IFLAB-ZINC04164333 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 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 3 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.9000 -1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.5750 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -1.0890 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.5890 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.0160 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -0.2870 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 0.1500 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 0.8730 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 1.4210 -0.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 1.9830 0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.8290 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 1.1220 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 0.6640 -0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 2.3300 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 3.2960 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 3.7600 4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 3.2710 4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 2.3130 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 1.8450 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 3.8600 6.0200 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 -3.8990 -1.0740 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -0.4660 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -2.1120 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -0.8430 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -0.0550 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 3.6780 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 4.5070 4.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 1.9350 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 1.1010 2.0460 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 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 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END