PUBCHEM-ZINC04111661 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.2570 1.4340 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.0510 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.6770 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -0.0760 2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -0.8150 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -2.2920 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.9490 4.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -2.8750 2.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -2.1660 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -2.8660 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.1230 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.7700 -1.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.2680 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -0.0850 4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 1.1340 4.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.8740 6.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -0.3010 7.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -1.3620 8.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -0.7150 9.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -2.6220 10.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -1.1650 12.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -2.2530 13.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -1.6580 14.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -0.8860 15.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 0.1860 14.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.4000 12.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 1.8520 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 1.6230 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 1.9950 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 0.9990 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -3.9390 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.5550 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -1.8870 5.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 0.4300 7.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.2430 7.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.0730 8.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -1.9290 8.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.0920 9.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -0.1030 9.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -1.9690 10.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -3.2360 10.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -3.2820 11.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.4650 12.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.7390 12.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -3.0360 13.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -0.9880 14.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -2.4590 15.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -0.4200 16.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.5850 15.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 0.9640 14.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 0.6710 14.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -1.0610 13.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 0.4130 12.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -1.7680 10.9210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9440 -2.4040 10.6640 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 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 30 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 54 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 43 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 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