PUBCHEM-ZINC00555170 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.1600 3.1330 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.6260 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.9450 -1.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -0.3950 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -0.9800 -0.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -1.0890 -2.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -2.5520 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -3.1580 -4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -2.4640 -5.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -1.0010 -5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -0.3960 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -3.1580 -6.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -4.3650 -6.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -2.4330 -7.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -3.4310 -8.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -3.6130 -8.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -4.5280 -9.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 -5.2600 -10.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -5.0790 -10.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -4.1670 -9.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -3.9760 -9.1950 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3600 -4.5420 -10.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -3.2540 -8.3530 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1830 3.4950 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 3.3320 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 3.6440 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 1.4280 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.2640 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -2.8350 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.9160 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -4.2190 -4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -3.0280 -4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.6380 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.7180 -5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 0.6640 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -0.5220 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -1.8930 -7.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 -1.7280 -7.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 -3.0400 -7.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 -4.6700 -9.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -5.9750 -10.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -5.6510 -10.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 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 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END