PUBCHEM-ZINC06814745 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -1.8930 1.4550 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 0.0520 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -0.4990 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -1.7910 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -2.5400 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -1.9900 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.6960 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -4.1680 -0.8640 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -4.4360 -2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -4.2170 0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -5.2080 -0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -5.2660 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -6.4350 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -6.3150 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -6.2500 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -5.1160 0.8660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1240 -4.1740 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -5.0660 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -4.0830 2.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -6.1250 2.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -7.2460 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -7.6120 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -7.4040 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -6.2140 3.6470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4620 -5.2750 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -6.5200 4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -7.0630 4.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 2.1630 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 1.5840 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 1.6940 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 0.0780 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.1930 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -2.5510 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -0.2720 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -4.3290 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -5.4020 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -6.4580 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -7.3800 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -5.4160 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -7.1750 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -6.1140 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -7.2230 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -8.0650 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -7.0030 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -8.6320 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -6.9220 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -8.3130 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -7.2010 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -6.2300 6.0020 O 0 5 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 49 -1 M END