PUBCHEM-ZINC05059721 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 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 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -0.6510 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -0.0680 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -1.0680 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -2.3370 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -2.0410 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -3.6960 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 -4.7340 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -5.9980 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -6.2370 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -5.2080 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 -3.9420 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 -7.4760 -0.1020 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -0.8970 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 0.3360 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2450 0.5080 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 1.7900 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1730 1.9420 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 0.8300 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4520 -0.4420 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0830 -0.6100 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4670 1.0030 -0.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 13.9490 2.1210 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1940 0.0260 -0.1350 O 0 5 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 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.9750 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 0.9940 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -4.5500 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 -6.8030 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 -5.3980 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -3.1420 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 -1.7630 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 1.2020 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1610 2.6580 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6040 2.9320 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1010 -1.3050 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 -1.6040 -0.0860 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 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 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