PUBCHEM-ZINC04154836 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0660 1.4300 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0340 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.7890 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -2.1080 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1240 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.8880 -1.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -3.3320 -1.5350 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.4380 -1.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -3.2200 -2.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0690 -3.2870 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -4.4800 1.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -5.5940 1.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -6.8670 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -7.9570 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -9.2160 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -9.3920 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -8.3100 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -7.0470 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 1.8200 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 1.7520 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.8070 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4250 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -3.1560 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -5.4790 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -7.8200 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -10.0630 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -10.3780 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -8.4520 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -6.2020 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END