PUBCHEM-ZINC06505188 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0040 1.2980 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0770 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -0.4050 0.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -1.3520 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.6960 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 1.7630 0.1280 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6230 3.1060 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 3.5230 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 4.9010 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 5.1610 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 6.5720 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 7.6050 0.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 7.3030 0.8190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9010 7.1790 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 6.0500 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 8.4520 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 8.7750 -0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 6.8310 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 5.7880 -0.2710 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.0930 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -0.8970 -1.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2220 -0.8120 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -2.1010 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -1.8020 -2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 2.0060 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 0.6980 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 3.7960 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 2.8000 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 4.4010 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 6.2060 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 5.8250 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -2.0770 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -1.0550 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 8.9080 1.4020 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0320 8.0210 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -3.2040 -1.1910 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7140 0.3420 -1.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 0.2260 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 0.2440 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 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 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 2 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 6 1 M CHG 1 19 -1 M CHG 1 34 -1 M CHG 1 36 -1 M END