IBS-ZINC06661985 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 0.0940 2.0670 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.6000 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -1.0160 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -1.2400 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -1.1420 1.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 0.1630 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.4580 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -2.2370 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 -2.0380 2.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -1.1160 3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 -3.0510 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4620 -2.8280 4.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -4.4090 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2290 -4.5120 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -3.4370 1.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -5.8230 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 -5.5150 3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -5.6220 2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5000 -6.3480 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6730 -6.4090 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8330 -5.7440 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7910 -5.0180 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6190 -4.9580 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0930 -5.8200 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2400 -6.4910 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5110 -4.4390 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.2520 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 2.7080 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 2.3720 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 0.3150 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -0.0480 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -1.7760 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -1.0050 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -0.4790 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -2.2050 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 0.9380 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 0.2190 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 1.4750 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -0.2590 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -5.8020 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -5.9750 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -6.6980 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6730 -6.4860 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -5.3600 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6180 -6.8740 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6700 -6.9820 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6710 -4.4890 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6170 -4.3780 3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8860 -6.4410 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5550 -5.9030 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1130 -6.6140 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9460 -7.4840 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6950 -3.9640 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3710 -4.5230 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7950 -3.7670 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 0.3460 1.4140 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8540 1.0630 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 56 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 56 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 40 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END