PUBCHEM-ZINC04237673 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6720 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -4.0420 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.5730 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -3.7390 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -2.3580 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.4570 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -1.8610 4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -0.7400 5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 0.3330 4.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 1.2650 4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -0.1410 3.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -0.6990 6.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -6.0410 1.7530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6530 -6.7790 0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -6.5110 2.7170 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.2630 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -4.7000 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -4.1580 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -2.8790 4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -1.5240 6.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 0.1550 6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END