PUBCHEM-ZINC05028962 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.1520 1.4160 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 2.5350 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 2.4480 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 2.3100 3.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 1.2500 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 1.3490 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 3.0120 4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 4.3700 5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 4.9270 6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 4.1720 7.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 2.8680 6.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 2.2800 5.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 2.0530 7.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 2.5340 8.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 1.3530 9.8210 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5340 0.8210 10.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 1.7870 11.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 1.6120 10.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 0.3810 9.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 0.4280 9.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 6.2610 6.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 5.2370 4.1730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2020 5.2010 3.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 5.9630 4.5530 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9050 1.3840 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 2.3360 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 0.5350 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 3.4590 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 2.4650 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 1.5640 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 3.3080 3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.2750 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 1.3050 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 0.4800 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 2.2690 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 1.0790 7.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 3.2480 9.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 3.0450 8.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 1.0990 11.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 2.8000 11.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 1.4960 11.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 2.4750 10.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -0.5350 10.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4230 0.3410 9.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 6.9260 6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 6.5580 7.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 1.3790 1.2440 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2050 0.5030 1.5500 H 0 0 0 0 0 0 0 0 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 1 47 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 2 47 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 7 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 34 1 0 0 0 0 6 35 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 47 1 M END