PUBCHEM-ZINC06452824 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0190 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4090 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.5670 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0840 4.1610 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 4.1910 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8960 2.3080 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.5250 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 3.2910 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 3.6540 -0.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 3.5720 -3.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 4.3170 -3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 3.5130 -4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 3.1960 -5.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 2.3470 -5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 3.1330 -4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -0.7080 -0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6980 -1.9260 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -0.0880 -0.0420 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.7730 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -1.0040 -1.3060 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -1.9970 0.6610 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -0.0330 0.6830 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7620 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 1.5490 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 3.0790 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 5.2860 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 4.4600 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 4.0970 -4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4270 2.5830 -3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 4.1250 -6.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 2.6450 -6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 2.1020 -6.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 1.4280 -4.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 2.4960 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 4.0040 -4.9280 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 20 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 20 1 M CHG 1 22 -1 M END