PUBCHEM-ZINC05159567 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.7950 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 2.2560 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 2.4880 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.2560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.8230 -2.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6970 2.9880 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 3.1460 -5.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 3.6650 -7.2020 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 2.8080 -7.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.4980 -2.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6230 2.5940 -3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 3.7660 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 3.7310 -0.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 4.9380 -1.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 1.5530 -0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.4340 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 2.2690 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 3.9480 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 4.9660 -2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 5.7540 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 1.5340 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.6720 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 5.1850 -7.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 3.5950 -8.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 1.3670 -1.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 0.5050 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 3.8940 -9.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 5.8040 -6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 26 30 1 0 0 0 0 28 33 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 7 1 M CHG 1 17 -1 M END