PUBCHEM-ZINC05571549 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -1.9710 1.2400 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.1890 0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.9390 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.3120 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -2.2560 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -0.9280 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -0.5750 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -1.5280 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -2.8370 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -3.2060 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -3.4160 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -4.6040 1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -5.6320 1.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -6.8530 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -7.0110 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -8.2360 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -9.3100 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -9.1600 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -7.9390 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -7.7800 3.4540 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8500 -6.6600 3.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -8.7580 4.2580 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6590 -10.6220 -0.5950 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5500 -10.7680 -1.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -11.6450 0.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0480 1.8190 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 1.5020 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 1.4650 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -0.6000 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 0.4440 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.2450 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -3.5700 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.2280 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -3.3180 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -5.5440 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -6.1750 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -8.3590 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -10.0010 2.0120 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 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 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 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 23 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 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 25 -1 M END