PUBCHEM-ZINC06904518 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5270 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.4920 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 1.5020 -1.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6410 1.8430 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 1.9830 -1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 2.4590 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 2.4890 -3.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 2.9550 -2.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1150 2.2950 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 4.3730 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 4.8800 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 4.8330 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 3.4020 -3.7970 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0170 2.7400 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 2.9640 -3.7530 N 0 5 0 0 0 0 0 0 0 0 0 0 7.9070 3.3550 -5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 3.3540 -6.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 3.3150 -5.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7130 3.2700 -6.8520 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8890 3.0090 -7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8170 2.2170 -6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3320 2.1880 -8.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8370 3.5820 -8.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 4.5950 -8.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 4.5860 -7.2280 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8890 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.8790 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -0.3660 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -1.5820 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 3.1380 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 1.7190 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 5.0300 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 4.3630 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 5.9060 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 4.2450 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 5.4980 -3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 5.1520 -3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 2.4700 -6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4170 1.2380 -6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1490 1.4700 -8.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5230 1.8970 -9.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6720 3.8560 -8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1660 3.5780 -9.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0630 5.5910 -8.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 4.3280 -9.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 0.0340 -1.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -0.3090 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8640 3.3160 -4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 1.9590 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 50 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 7 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 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 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 27 -1 M END