PUBCHEM-ZINC01416673 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 2.0470 1.2940 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -0.2280 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.5740 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -1.8960 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -2.3000 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -3.6390 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -4.5950 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -4.1820 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -2.8400 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -6.0250 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -6.8550 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -6.4950 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -5.3420 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -7.5170 -0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -8.7610 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -9.7890 -1.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -8.6260 0.9390 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -7.2900 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -7.3040 -3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -8.4910 -4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -8.5050 -5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -7.3310 -5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -6.1440 -4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -6.1300 -3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -7.3460 -6.7390 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3060 -8.3920 -7.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -6.3120 -7.1150 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8240 1.6690 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 1.5580 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 1.7400 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -0.6020 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -0.6730 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -1.5620 2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -3.9520 3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -4.9150 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -2.5200 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -6.4160 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -8.0770 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -6.3230 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -9.4080 -3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -9.4320 -5.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -5.2280 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -5.2020 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END