PUBCHEM-ZINC04688172 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 0.2220 1.8100 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 0.0120 0.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.3180 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -0.6480 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -0.3950 -1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -0.4130 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -1.7600 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -1.9880 -3.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.0830 -2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.7550 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -3.1260 -4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -3.8680 -3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -4.9930 -4.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -5.3850 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -4.6470 -5.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -3.5200 -5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -5.0440 -7.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -4.2010 -7.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.8490 -8.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -5.0840 -8.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -6.5900 -6.2120 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9820 -7.5670 -5.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -6.6060 -7.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1760 2.2890 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 2.0520 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 2.1680 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 0.3950 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -0.2900 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -1.7490 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -2.5580 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.3060 -3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -2.8760 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.8580 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.0190 -3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -3.5650 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -5.5680 -3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.9470 -5.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -5.8770 -7.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -4.0820 -6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -3.2230 -7.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -5.1210 -9.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -4.8120 -8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -5.5490 -9.7740 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 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 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 11 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 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