PUBCHEM-ZINC03604226 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0910 1.6120 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 0.0960 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.4080 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -0.6060 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.0900 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -1.1710 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -0.7600 1.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -1.6520 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -2.3890 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -2.8760 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5170 -2.6250 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -1.8830 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -1.3970 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -1.4170 -2.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1870 -0.9390 -3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.4830 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.0130 -3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 0.0180 -4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -0.4020 -5.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -0.8770 -4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -2.9190 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -3.3390 -3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -4.8120 -3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 -5.2360 -5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5690 -6.5300 -3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -0.6290 -2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 1.9600 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 2.0580 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.9890 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.2770 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -0.3350 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -2.5880 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -3.4460 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 -2.9980 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8780 -1.6740 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -0.8050 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.3340 -2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.3850 -5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -0.3470 -6.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -1.1690 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -3.5090 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -3.2070 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 -2.7280 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -3.1750 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -5.4710 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -4.9900 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -5.9220 -5.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 -4.2230 -5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 -5.5710 -6.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9780 -6.4340 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -7.3030 -3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 -6.7430 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 0.2810 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 -5.2120 -4.0730 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7020 -4.5120 -4.0140 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 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 54 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 54 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 25 54 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END