IFLAB-ZINC04087077 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.3310 1.3460 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.1350 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.9420 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -2.2660 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -1.9340 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -1.0990 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -0.7720 -2.2950 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -1.6530 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 -2.2860 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -3.1130 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2670 -2.9530 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -4.1370 1.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0060 -1.6880 -1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5410 -1.1430 -2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -0.5960 -3.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0060 -1.3160 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4680 -1.8750 -4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8340 -2.0720 -4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7440 -1.7090 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2860 -1.1330 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9170 -0.9280 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 -0.1530 -0.6780 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -11.4020 -2.7680 -5.9940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.5020 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 1.6590 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.5760 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 1.9480 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.7540 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.3360 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -1.9500 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -2.6580 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -3.3250 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -1.6950 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -4.4030 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -4.6870 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 -2.1720 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7610 -2.1570 -5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8110 -1.8620 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0070 -0.8370 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -1.0540 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 0.5530 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -0.5600 0.0950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7130 0.1030 0.7200 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 28 1 0 0 0 0 2 29 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END