PUBCHEM-ZINC06505421 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3720 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 1.2160 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.3990 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.5180 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.6540 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.7050 -0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7530 -0.0860 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.9230 -0.0400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2360 -2.4470 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -2.8750 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -4.3970 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -4.7580 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -6.5620 -0.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -6.7820 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -5.6720 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -5.8400 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8510 -7.1280 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 -8.2410 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -8.0660 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -9.2440 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2150 -10.3680 -0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -9.0900 -0.0310 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.2720 -7.3070 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 -7.4490 0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9000 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 1.9480 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -2.4660 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -2.4570 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -4.8060 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -4.8150 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -4.3490 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -4.3400 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -4.6770 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 -4.9780 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 -9.2380 0.0150 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 3 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 23 1 M CHG 1 25 -1 M END