PUBCHEM-ZINC05820178 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 56 0 0 0 0 0 0 0 0999 V2000 0.3870 1.6220 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.1140 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -0.4640 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -1.9840 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -2.5560 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -4.1030 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -4.5040 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -4.8270 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -4.5660 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -5.9290 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 -6.3780 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -5.4820 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -4.1300 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -3.6810 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -6.0480 0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1000 -5.1640 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3860 -5.9860 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4910 -6.6240 1.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6170 -7.5080 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8150 -8.0020 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5600 -7.0280 4.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7480 -7.4360 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6850 -6.4490 6.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9040 -6.7930 6.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 2.0150 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 2.1170 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 1.8880 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -0.1190 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -0.3470 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -0.2240 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 0.0040 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -2.2080 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.4360 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -2.2690 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -2.0430 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -4.2670 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -5.5790 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -3.9850 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -4.5430 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -5.9170 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -4.5940 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -6.6700 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -7.4370 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -3.3910 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -2.6140 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9530 -4.6360 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1770 -4.4520 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2480 -5.3220 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3890 -6.7450 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5150 -6.9890 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4050 -8.3610 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3920 -8.9330 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8500 -8.1730 3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1860 -8.4400 5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7780 -7.4590 6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1230 -5.4340 6.7890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 56 1 0 0 0 0 M CHG 1 56 -1 M END