PUBCHEM-ZINC01124910 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.0250 1.2660 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 1.9560 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 1.3500 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 0.1140 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -0.5040 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 0.1130 -4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.3560 -4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 1.9650 -3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 3.2790 -3.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1040 3.8190 -4.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 3.8200 -2.6500 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4390 -0.5450 -5.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -0.0060 -6.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -1.7440 -5.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -2.4120 -6.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -1.6920 -7.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -2.3550 -8.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -3.7350 -8.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -4.4560 -7.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 -3.7990 -6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 -4.5780 -10.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 -5.8330 -10.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 -3.6430 -11.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -4.9060 -9.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -5.8220 -8.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 -6.2430 -8.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0270 -7.1860 -7.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 -8.5490 -7.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1860 -9.4140 -6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6760 -8.9170 -5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8430 -7.5540 -5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 -6.6900 -6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 0.3000 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 1.1130 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8580 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -0.3630 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -1.4650 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.8370 -5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -2.1420 -4.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -0.6140 -7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -1.7960 -9.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -5.5330 -7.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -4.3620 -5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 -4.4900 -10.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -5.3220 -7.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -6.7050 -8.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 -6.7430 -9.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 -5.3610 -8.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 -8.9370 -8.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0560 -10.4780 -6.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9290 -9.5930 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -7.1660 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6560 -5.6260 -6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END