PUBCHEM-ZINC00958041 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0060 0.7540 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.6200 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.1190 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -0.3070 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 1.0090 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 1.5800 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 1.8270 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 1.1550 -0.0500 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 2.2370 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 0.1770 0.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 0.2790 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 0.9250 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 0.2410 -3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -1.0960 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -1.7410 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -1.0530 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 -1.7900 -5.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 -1.4950 -6.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -0.6930 -5.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -2.1450 -7.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -3.0660 -7.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 -3.6700 -8.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 -3.3650 -9.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 -2.4530 -9.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 -1.8370 -8.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.6870 -7.9830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 -4.0170 -11.2370 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2350 -4.8200 -11.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -3.7510 -12.0570 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0010 1.1690 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -1.2930 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -2.1870 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 2.6540 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 2.7920 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 1.9640 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 0.7460 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -2.7800 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.5550 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -2.4850 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -3.3060 -7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -4.3830 -9.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 -2.2200 -10.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 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 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 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 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 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END