PUBCHEM-ZINC04678755 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -2.0470 1.6760 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 0.2320 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.6200 1.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -1.9370 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -2.8140 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -4.1430 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -4.6560 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -3.7080 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -2.3930 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -6.0190 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -6.7660 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -8.0080 -0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -8.1520 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -6.9560 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -6.7150 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -9.3150 -0.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -10.4420 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -10.4100 -0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -11.7170 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -11.7580 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -12.9520 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -14.1070 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -14.0740 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -12.8880 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -15.3150 -1.6250 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2560 -16.4490 -1.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -15.2850 -1.5660 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9030 2.3260 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 1.7410 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 1.9900 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -0.0820 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 0.1680 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -2.4280 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -4.8140 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -4.0530 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -1.6880 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -6.3590 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -6.7500 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -7.4820 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -5.7340 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -9.3410 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -10.8570 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -12.9840 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -15.0390 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -12.8640 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 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 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END