PUBCHEM-ZINC03725637 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.3960 1.5980 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 0.0870 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.4180 1.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.7770 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.7100 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -4.0910 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -4.5160 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.5910 2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -2.2210 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -1.2450 3.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -1.6540 4.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -5.0750 -0.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4660 -4.5160 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -5.6060 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -5.1540 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -5.8750 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -6.8580 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -6.9100 1.2470 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -7.0050 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -8.1340 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -6.8310 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -5.6610 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 1.8880 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 2.0380 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.0250 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -0.1730 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.3130 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -2.3740 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -5.5700 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -3.9740 3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -0.7550 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -2.1680 5.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -2.2770 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -4.3350 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -5.6800 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -7.5460 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -6.3220 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -7.4310 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -8.8500 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -8.6870 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -6.4360 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -7.4650 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -5.1560 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -4.9470 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -6.1810 -0.8040 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7970 -6.8140 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -7.6590 -2.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -7.1230 -3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 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 28 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 45 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 47 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 45 1 M END