PUBCHEM-ZINC05159732 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 0.3640 -0.3440 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.4220 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -2.6930 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -3.6100 -1.7760 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.1940 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -1.1910 -2.2290 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4100 0.1480 -2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 0.9420 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.7300 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 1.4470 -3.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 2.3540 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 2.5900 -1.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.9060 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 2.1520 -0.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 3.1440 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -2.1280 -3.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9640 -3.3300 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -2.1510 -5.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.7890 -5.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -0.9200 -3.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -3.2440 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -3.7140 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -4.2370 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 0.5050 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -0.0220 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.7330 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 0.6530 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 0.0640 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.0110 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 1.4490 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 3.0280 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 2.6240 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 4.1320 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 3.2490 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -4.2510 -3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -3.2820 -4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -3.3130 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -0.1160 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -4.0850 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.4650 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -2.8730 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -4.4920 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -4.5550 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 -1.4630 -5.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -1.4470 -6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 6 1 M END