IFLAB-ZINC04166881 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.5220 1.3870 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -0.0680 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.7580 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -2.0930 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.7370 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -2.0470 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.7110 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -2.7500 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.4390 0.3330 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -4.8710 -0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -4.5390 1.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -5.2650 -0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -5.2750 -1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -6.3930 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -6.4030 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -7.4990 -4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -7.1040 -5.9080 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -5.4550 -5.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -5.3380 -4.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -4.3790 -6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -4.6210 -7.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 -3.5800 -8.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 -2.3450 -7.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -2.1460 -6.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -3.1060 -5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 1.4710 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 1.8880 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 1.8540 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -0.2540 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -2.6320 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.1700 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.7390 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -2.2370 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -3.7810 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -5.7430 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -4.3150 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -5.4450 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -7.3520 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -6.2230 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -8.4600 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -5.5950 -8.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -3.7300 -9.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -1.5310 -8.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -2.9060 -4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 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 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 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 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 M END