PUBCHEM-ZINC05064011 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3720 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 1.3990 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 3.5610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 4.1810 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 4.2220 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 5.6870 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 6.1790 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 7.7090 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 8.2270 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 7.7350 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 6.2050 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.7050 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7530 -0.0860 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.9230 -0.0420 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 -2.0750 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.6070 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -3.9300 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -4.9720 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -4.7860 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -3.8380 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -2.6050 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9000 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.9480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 3.7270 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 6.0560 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 5.8090 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 5.8090 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 8.0600 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 8.0780 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 7.8580 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 9.3170 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 8.1050 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 8.1050 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 5.8550 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 5.8360 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -2.6660 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -1.9190 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -4.2460 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -3.8750 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -4.8280 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -5.9760 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -5.7590 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -4.3800 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -4.3840 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -3.5040 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -1.8320 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -2.8880 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 19 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 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 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 22 23 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 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 25 52 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END