PUBCHEM-ZINC06218453 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -6.1120 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -6.8870 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -6.6340 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -8.0990 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -8.9490 0.3700 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -10.3240 0.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 -8.3820 1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -8.6040 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 -9.4000 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 -9.1330 -2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -8.0620 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 -7.2640 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -7.5410 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 -6.1220 -1.5490 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1650 -5.4230 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0510 -5.8820 -2.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6610 -7.5080 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2760 -8.8900 -3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -4.1640 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -6.2830 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -6.2740 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -8.5710 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -10.2320 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -9.7550 -3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -6.9240 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0740 -8.3730 -5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -6.6430 -5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4190 -7.2980 -5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7950 -9.0300 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7480 -9.8060 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0010 -8.6500 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 -7.7880 -3.8360 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 50 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END