IBS-ZINC06745471 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1010 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8240 -3.7080 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -2.2360 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -2.8070 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7700 -3.1770 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 -3.6980 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6590 -3.8250 1.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0350 -3.4660 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 -2.9680 2.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6870 -3.6170 3.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0310 -4.1800 3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6890 -4.4050 4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4130 -2.5660 5.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7540 -2.3400 4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4510 -3.2890 6.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7220 -1.9110 7.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6320 -1.1920 6.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 -3.0250 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -3.5240 -2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -2.2210 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.6010 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.7440 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -2.6110 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 -1.1500 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5780 -3.9900 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6340 -3.4860 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9540 -5.1300 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6970 -4.7950 4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1000 -5.1200 5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8090 -3.2590 6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4900 -1.6150 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7470 -1.9500 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3440 -1.6260 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8290 -3.8700 7.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3960 -3.8070 6.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1570 -2.0320 8.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7860 -1.3580 7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8490 -0.3080 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -1.1560 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -2.4430 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7560 -3.1280 5.5100 N 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 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 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 54 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END