PUBCHEM-ZINC05178630 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 53 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.5250 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0040 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -0.5730 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -2.1030 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.6720 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -4.2010 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -4.7700 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -6.3000 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -6.8700 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -8.3990 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 -9.0300 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 2.0950 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 3.6250 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 4.1950 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 5.7240 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 6.2940 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 7.8240 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 8.3950 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 9.9240 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 10.5540 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 1.8980 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8780 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -0.3560 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.3770 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.2220 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -0.2000 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.4550 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.4770 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -2.3210 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -2.2980 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -4.5530 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -4.5760 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -4.4200 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -4.3950 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -6.6500 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -6.6740 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -6.5190 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 -6.4950 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 1.7230 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 1.7420 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 3.9970 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 3.9770 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 3.8230 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 3.8420 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 6.0960 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 6.0770 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 5.9220 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 5.9420 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 8.1960 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 8.1760 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 8.0220 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 8.0430 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9110 -8.8460 0.0190 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8900 10.3720 -0.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 53 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 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 54 1 0 0 0 0 M CHG 1 53 -1 M CHG 1 54 -1 M END