IFLAB-ZINC04188946 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 65 0 0 1 0 0 0 0 0999 V2000 -0.5160 2.2900 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 1.5650 0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 0.7450 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 0.0590 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -0.8170 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -1.0350 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.3300 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 0.5470 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -1.9000 -0.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -1.6230 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 -1.8320 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 -3.3640 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -3.1680 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3660 -3.5870 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7660 -4.1960 -2.4200 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9940 -3.4140 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9230 -5.1800 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0470 -5.7610 -3.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0240 -6.8050 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9370 -7.4920 -5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6930 -8.2000 -5.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3020 -8.6950 -6.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1000 -8.7870 -7.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5680 -9.3140 -8.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2440 -9.7570 -8.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -9.6780 -7.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9800 -9.1460 -6.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 -10.0820 -7.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -10.6390 -8.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5950 -4.8900 -2.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9470 -5.4730 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 2.8950 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 1.6120 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 2.9720 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 0.2070 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -1.3020 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -0.4770 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 1.0480 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -0.5920 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -2.2880 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0520 -1.0920 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 -1.7760 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 -4.3750 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4580 -2.6250 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -3.9840 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -3.2590 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9560 -2.7110 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4170 -4.3400 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6900 -5.9720 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8530 -4.6770 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8210 -7.5290 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0180 -6.3670 -3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7650 -8.2010 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9710 -6.7320 -5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1360 -8.4650 -7.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1910 -9.3840 -9.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8720 -10.1600 -9.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3580 -9.0800 -5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 -11.5510 -8.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 -9.9060 -9.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -10.9110 -8.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9070 -3.1970 -1.2160 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5790 -3.9080 -1.9130 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 13 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 41 1 0 0 0 0 11 42 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 62 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 62 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 62 63 1 0 0 0 0 M CHG 1 62 1 M END