NIH-ZINC01067515 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5700 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.0610 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 0.3110 1.1610 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 0.6990 2.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 1.1460 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -1.1840 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 -1.9840 1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -3.1570 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -3.5340 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -2.7320 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -1.5520 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -3.0990 -2.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -2.2250 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 -5.0080 -0.0370 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -3.6600 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.2190 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.4410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 0.0340 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -1.6920 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -3.7810 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -0.9240 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -1.2440 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -2.1300 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -2.6350 -4.0410 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 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 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 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END