PUBCHEM-ZINC06263670 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 0 0 1 0 0 0 0 0999 V2000 0.9890 1.9870 -2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 0.5250 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -0.4230 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 0.0220 -0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -1.7830 -1.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.7510 -0.5840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4340 -3.4880 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -3.5010 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -4.0150 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -5.0450 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -5.9280 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -6.8590 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -6.9150 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 -6.0450 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -5.1220 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -4.1680 -2.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -4.0020 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -3.4970 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.4000 -2.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0630 -1.6730 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -2.8750 -3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -2.0370 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -2.4290 -5.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -3.6650 -5.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -4.4940 -4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -4.1350 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -5.6700 -4.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -5.4650 -6.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -4.2130 -6.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -2.2520 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -2.4600 1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 2.2010 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 2.2500 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 2.6340 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 0.3220 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 0.3550 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -2.8270 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.3340 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -5.8920 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 -7.5440 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -7.6470 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 -6.0890 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.0650 -5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -1.7800 -6.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.8270 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -6.2820 -6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -5.4970 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -1.7830 -0.2070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 M CHG 1 48 -1 M END