PUBCHEM-ZINC00216003 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1060 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5320 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.6710 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0250 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.8120 -0.0240 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0410 -4.0290 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.2410 -0.0310 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6160 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -3.8310 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -1.8970 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 -2.5500 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -1.8320 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4280 -0.6170 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7860 -2.5220 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9810 -1.7960 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1810 -2.4800 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2080 -3.7980 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1060 -4.5210 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8630 -3.9180 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1860 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0460 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.7500 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -0.9280 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -3.5190 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9660 -0.7160 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1090 -1.9280 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1760 -5.5980 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9640 -4.5160 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END