PUBCHEM-ZINC05819970 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.1560 1.8330 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 0.3360 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -0.4650 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -1.9700 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -2.7700 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -4.2480 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -5.0920 -3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -6.5710 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -6.9870 -3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -7.8300 -4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -8.2210 -5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -9.0440 -6.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -9.7180 -6.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -10.5940 -7.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -11.0580 -8.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2650 -11.4850 -7.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -11.7180 -9.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -10.3570 -9.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5380 -10.2940 -9.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -9.1650 -10.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -9.0290 -11.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -7.8270 -12.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -7.6300 -13.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -8.4560 -14.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 2.1390 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 2.1230 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 2.3860 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.0850 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 0.0690 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -0.2060 -2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -0.1910 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -2.2260 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.2430 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -2.4990 -3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -2.5100 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -4.6330 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -4.7060 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -7.0900 -3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -6.8740 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -6.5690 -3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -8.2400 -5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -7.8010 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -9.2230 -6.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -9.4980 -6.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -11.0210 -8.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -11.7930 -10.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -12.5580 -9.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -8.2650 -9.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -9.2360 -10.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -9.9450 -12.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -8.9330 -11.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -6.9110 -11.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -7.9220 -12.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -6.6420 -14.3320 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 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 M CHG 1 54 -1 M END