PUBCHEM-ZINC06175446 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.3530 1.4420 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.0270 0.2150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4440 0.0680 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -1.7260 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -2.1360 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -3.3300 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -3.7750 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -5.0100 -3.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0320 -5.8040 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -5.5970 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -5.6770 -4.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -6.0170 -1.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 -6.4830 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 -6.5700 -1.9910 N 0 5 0 0 0 0 0 0 0 0 0 0 -9.0720 -7.2530 0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 -6.8810 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 1.9100 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 2.0740 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.4520 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.5590 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -1.4980 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.3880 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.2860 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -3.0540 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -4.1650 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -3.9810 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -2.9410 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 -6.0170 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.7470 1.2120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0530 -0.8230 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.3100 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -1.6960 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -0.5510 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -0.6630 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6910 -7.0670 -1.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -4.6410 -4.5730 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1770 -5.2530 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -4.7580 -4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 -3.6850 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 33 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 35 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 29 1 M CHG 1 36 1 M END