PUBCHEM-ZINC00000085 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.4390 -0.3300 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -0.2560 -1.8700 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6150 1.1250 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -1.1440 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -0.6750 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 0.3220 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -0.1280 0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 0.6850 0.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2050 1.1040 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -0.1680 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -1.2110 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -0.9330 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -1.8900 -1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -3.1260 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -3.4050 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -2.4500 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 1.8040 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 3.0460 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 4.0730 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 3.8580 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 2.6160 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 1.5910 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 0.3300 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.3540 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.0190 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 1.3970 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 1.2050 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 1.7990 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -2.1690 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -1.0890 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -0.8330 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -0.7040 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -1.6660 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 0.3960 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 1.3000 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 0.4690 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -0.6570 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 0.0330 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 -1.6720 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -3.8740 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -4.3710 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -2.6690 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 3.2140 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 5.0420 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 4.6600 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 2.4480 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 0.6220 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 M CHG 1 2 1 M END