IFLAB-ZINC04279984 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 2.6590 2.3310 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 1.3730 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 0.6650 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -0.1380 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.0280 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -1.7640 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -3.0780 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -5.3210 -4.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0750 -5.4470 -3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -5.9120 -5.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -5.1110 -6.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -3.8950 -6.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -5.8750 -7.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -5.4350 -8.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -6.4010 -9.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -6.0510 -10.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -4.7300 -10.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -3.7590 -10.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -4.1120 -8.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -4.2940 -12.3600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -6.0280 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -5.2740 -3.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 2.8110 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 1.8130 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 3.1220 -3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.8680 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.9380 -3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 0.5280 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 1.7270 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 0.0000 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 0.1940 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -1.2080 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.7440 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -1.6620 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.1510 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -1.9630 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -3.7050 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -2.9210 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -5.9400 -6.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -6.9480 -5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -6.8660 -7.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -7.4400 -9.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -6.8140 -11.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -2.7250 -10.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -3.3260 -8.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 0.2450 -1.5380 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0560 0.0380 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -3.8190 -4.2620 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0110 -3.4150 -5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -3.8460 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -7.1630 -2.9810 O 0 5 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 26 1 0 0 0 0 2 27 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 46 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 48 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 41 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 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 46 1 M CHG 1 48 1 M CHG 1 51 -1 M END