PUBCHEM-ZINC05514593 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3810 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 1.2030 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0130 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 2.1690 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 1.5370 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 2.2870 -0.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8260 3.3560 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 1.9220 1.1980 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7530 2.5430 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 2.1530 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 3.3470 3.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 3.5600 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 2.5780 4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 1.3850 4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 1.1740 2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 2.8060 5.9170 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7830 3.8570 6.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 1.9410 6.3090 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2380 0.5460 1.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 1.9400 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 1.1480 -2.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -0.6560 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 3.2490 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 4.1140 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 4.4920 4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 0.6180 4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 0.2430 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 -0.0670 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -0.8460 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0180 2.5120 -1.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 2.2580 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 25 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END