PUBCHEM-ZINC05705635 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0840 1.4600 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.0050 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.6920 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0770 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.7570 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -3.9730 -0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.0050 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.6640 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.0230 -2.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.6600 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -2.9210 -2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -3.6060 -4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -3.8490 -4.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.5080 2.4700 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0400 -1.4770 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.3260 2.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.5830 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -1.8250 4.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -3.2890 4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -3.7570 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.9300 5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 0.4370 5.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 1.3190 6.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.8420 7.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.5180 8.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -1.4050 6.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 1.8460 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 1.8160 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.8060 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.0160 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.6070 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -3.5660 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -1.9740 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -2.9610 -5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -4.5520 -4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -4.2820 -5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -3.6160 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -3.6560 5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -4.3600 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -4.3200 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.8100 4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 2.3810 6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 1.5340 8.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.8860 9.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.4660 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 14 1 M END