IFLAB-ZINC04139214 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0330 1.5100 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.0100 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4910 -0.1600 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.5340 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9700 -0.0500 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.2520 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 0.7490 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 0.8100 -2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -0.1410 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -1.1880 -2.6460 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -2.5490 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -4.0660 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -4.3550 1.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -3.8210 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -2.3010 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.6790 -0.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -0.7650 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -0.2710 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -1.4680 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -1.9610 -2.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -1.5530 -1.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -2.2420 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 -2.1960 -2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 -3.2050 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -3.1640 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -2.1120 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5400 -1.1030 -2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -1.1480 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8160 -2.0600 -1.7040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.9180 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 1.6720 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 2.0080 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 1.4580 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 1.5710 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -0.2500 -4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -2.3240 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -2.1140 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -4.4820 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -4.5070 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -4.0590 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -4.2550 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.8620 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -1.8960 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -1.0740 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 -1.1580 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -3.2800 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -1.7490 -3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3910 -4.0250 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 -3.9520 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 -0.2820 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7390 -0.3630 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -1.9840 0.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 52 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END