PUBCHEM-ZINC05728973 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 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 1.2070 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0000 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4080 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 2.1330 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 3.1950 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 3.6280 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 2.7910 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 1.9240 0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 2.8810 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 2.0570 2.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 2.1400 2.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 1.3040 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 0.4730 4.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8840 1.4000 4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3320 0.5960 5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5760 1.0420 5.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8500 2.0550 4.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6780 2.5600 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8560 2.2450 4.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -0.7330 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6910 -2.0500 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -0.0670 -0.0440 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 1.2110 -1.7720 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 3.5890 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 4.4260 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5770 3.6200 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9330 2.8040 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 -0.2040 6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 0.6610 6.5940 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 23 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 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 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 23 1 M CHG 1 25 -1 M END