IFLAB-ZINC04250692 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0340 1.3890 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1400 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.6570 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -2.1860 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -2.6810 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -2.8650 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -2.6220 -2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -3.3400 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -3.6100 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -4.0420 -0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 -4.0620 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -3.6360 -2.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 -3.6660 -3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 -4.1030 -3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 -4.3580 -2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0090 -4.8310 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5370 -4.9240 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8190 -5.3900 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5900 -5.7710 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0550 -5.6770 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7750 -5.2040 -3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9630 -6.2720 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4250 -6.3540 -0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7040 -6.6390 -2.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0470 -7.1220 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7300 -7.4880 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 -4.2880 -5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -3.4010 1.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -2.9500 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -2.7760 2.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -3.6760 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.7580 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.7800 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 1.7190 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.4700 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.5310 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.3270 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.2660 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -2.5160 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -2.5770 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -3.3830 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9410 -4.6300 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2280 -5.4620 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6480 -5.9700 -4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3630 -5.1270 -4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9950 -8.0040 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6200 -6.3430 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7380 -7.8500 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7820 -6.6060 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1570 -8.2670 -4.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 -3.9210 -5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9240 -5.3460 -5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6610 -3.7310 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -4.7110 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -3.0100 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 -3.5130 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 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 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END