PUBCHEM-ZINC05532481 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.1980 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 1.8350 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 2.7510 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 0.7090 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -0.3540 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 0.6930 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 1.8520 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 2.9120 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 1.8360 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 3.0350 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1130 3.0120 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 1.8040 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 0.6120 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 0.6200 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8160 -0.6760 -0.1060 N 0 3 0 0 0 0 0 0 0 0 0 0 12.0340 -0.6850 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1990 -1.7260 -0.1050 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8720 4.2820 -0.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2800 5.3460 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 4.2640 -0.0960 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -1.7660 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -0.1520 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 3.9780 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8680 1.7920 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 -0.3110 -0.0670 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 10 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 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 25 -1 M END