PUBCHEM-ZINC04626657 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.4400 0.9970 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 1.0310 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 2.9600 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 3.3200 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 4.8360 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 5.3240 -1.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2830 4.7820 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 3.5870 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 3.0770 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 3.7440 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 4.9190 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 5.4400 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 6.9520 0.6850 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 7.6540 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 6.8560 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 7.5050 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 8.9000 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 9.6730 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 9.0510 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 9.3730 -2.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 10.7850 -3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 4.8110 -2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.0810 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 1.5240 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 1.2000 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 1.5290 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.0560 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.3100 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 3.4630 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 3.2310 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 3.0070 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 2.7780 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 5.1460 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 5.3270 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 3.0350 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 2.1590 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 3.3540 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 5.4320 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 6.9200 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 10.7570 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 9.6730 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 11.2650 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 10.9930 -3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 11.2010 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 5.1800 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.4660 1.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3580 0.9940 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 46 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 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 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END