IBS-ZINC06664392 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 0.2130 1.3910 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.0950 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.8030 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.1910 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.8900 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.1880 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.7980 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.3620 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -4.8730 -1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -5.0900 -0.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -6.5380 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -7.0020 -1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -8.5160 -1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -9.2130 -0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -9.0680 -3.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -10.5150 -3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -11.1370 -4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -10.3960 -5.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -8.9060 -5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -8.2740 -4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -10.9870 -6.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -11.3140 -8.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -11.8070 -8.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -12.1490 -9.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -11.7530 -8.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -11.2610 -6.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -11.1740 -8.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -10.2370 -7.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 1.8480 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.8520 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 1.6210 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -0.2780 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -2.7220 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -2.6880 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -0.2670 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -4.6250 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -6.9420 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -6.8800 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -6.6200 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -6.6060 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -10.6870 -3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -11.0150 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -12.1970 -4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -11.1140 -4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -8.3310 -6.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -8.7980 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -7.2690 -4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -8.1540 -4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -12.0850 -8.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -12.1620 -8.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -10.7780 -9.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -10.3560 -7.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -9.1860 -7.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -10.5600 -6.1060 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9750 -10.0170 -5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -11.5450 -5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 54 1 M END