PUBCHEM-ZINC05419325 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 3 0 0 0 0 0 0 0 0 0 0 0.9060 -0.4080 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.1340 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.4750 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.3890 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -0.0960 -2.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3630 -0.6270 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -0.4980 -3.7990 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2960 -1.4780 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 0.5940 -4.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9980 0.1540 -5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 1.5270 -4.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7060 1.2460 -4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 1.3240 -2.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 2.9230 -4.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 3.8170 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 4.9660 -4.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 4.8810 -5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 3.5670 -5.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 3.2210 -6.8620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 4.0920 -7.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 5.3350 -7.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 5.7760 -6.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 7.0800 -6.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 1.3060 -5.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -0.4950 -3.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -1.4610 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 0.2060 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 0.9190 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.7480 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -1.5280 4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 0.1400 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -0.7210 5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 0.2260 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -1.4420 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 3.6050 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 3.7780 -8.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 7.3860 -5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 7.6880 -7.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 0.7540 -5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.7400 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -0.2110 5.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.4290 6.0400 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 6 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 37 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 2 1 M END