PUBCHEM-ZINC06503456 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.7520 1.4810 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -0.0260 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -0.6570 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.0640 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -2.7880 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -4.1600 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -4.8250 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.0940 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.7210 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -6.2940 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -6.9100 0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -8.3060 0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -8.9450 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -8.3120 2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -10.4460 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -10.9080 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -11.1480 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -11.5510 4.8510 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5590 -11.9240 6.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -12.2430 7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -12.0660 6.4540 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -11.5560 4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -11.1650 3.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -11.0840 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 1.8460 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 1.8640 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 1.8220 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.1700 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -2.2740 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.7220 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -4.6040 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.1550 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -6.8580 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -8.8120 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -10.8950 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -10.7500 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -11.0430 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -11.9580 6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -12.5600 7.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 19 1 M END