PUBCHEM-ZINC05733477 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1820 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 3.5830 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 4.4090 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3940 3.9080 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 4.8400 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 6.1890 -1.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7250 6.0400 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 6.6840 0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 5.7840 0.6340 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2560 6.1080 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 5.7050 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 6.9460 2.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 7.1390 -2.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 8.0700 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 8.7440 -3.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 8.2900 -4.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 7.2580 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 6.6440 -4.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 6.9960 -5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 7.9610 -6.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5700 8.6260 -5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 9.6370 -6.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -0.6940 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7040 -1.9120 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -0.0700 -0.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 1.9220 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 1.9310 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 4.1180 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 4.9760 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 4.9020 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 5.5050 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 6.9680 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 8.2240 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 6.4770 -5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 10.1230 -5.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 9.8590 -7.0760 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END