PUBCHEM-ZINC05502618 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 1.0290 0.8920 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 1.2740 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 1.1800 3.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2790 2.1830 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 0.4470 4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 1.0300 5.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 1.9540 6.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 2.1950 7.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.4670 7.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 0.7930 6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -0.0620 5.8720 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2130 -0.1600 4.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -0.6320 6.7620 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0370 0.4730 2.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 0.2220 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 3.0280 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 3.1890 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 3.0140 -1.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 3.2930 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 2.2040 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 2.6960 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.1540 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 1.4160 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 0.9190 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 2.0540 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 0.3070 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -0.6130 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 0.5000 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 2.3360 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 2.8540 8.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 3.5120 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 3.4420 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 4.2080 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 3.1690 -3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 2.5970 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 4.3250 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 3.0430 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 3.5060 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 1.8780 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 1.5520 0.6240 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5360 1.0870 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 10 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 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 40 1 M END