PUBCHEM-ZINC03138913 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 2.5540 -2.1040 -3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -2.5600 -1.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -2.3370 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -1.6930 -3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -1.4670 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -1.8820 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -2.5240 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -2.7600 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -3.4160 0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -4.6320 0.9180 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -5.4680 -0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -5.1080 1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -3.8990 1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -4.2590 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -3.6840 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -2.7490 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -2.3900 3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -2.9680 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -2.5880 3.1270 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3550 -1.8700 4.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -2.9910 2.5050 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.4300 -2.1330 3.5690 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.5540 -2.4490 3.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 -1.3090 4.4530 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4400 -1.0250 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -2.3440 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.5940 -3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -1.3680 -3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.9650 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -1.7030 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -2.8460 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -3.1570 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -4.9890 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -3.9650 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -1.6600 4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 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 22 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END