IFLAB-ZINC04164325 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -4.2450 0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -4.7530 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -6.1270 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -6.5310 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -5.5610 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -5.6260 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 -4.4360 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9420 -3.5440 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 -4.2300 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 -3.8470 0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1000 -2.0750 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3310 -1.5050 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4720 -0.1330 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3960 0.6790 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 0.1190 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 -1.2520 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5810 2.4050 0.1000 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 0.5120 -0.3560 -0.8950 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 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -6.8600 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 -7.5820 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1720 -2.1370 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4240 0.3100 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 0.7570 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 -1.6870 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 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 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END