PUBCHEM-ZINC05900520 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.5030 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.6760 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.0560 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -2.0930 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.7120 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 0.0240 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1680 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -4.9480 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -6.0950 0.9650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1360 -5.6860 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -7.0070 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -6.1870 -1.2780 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0500 -4.8940 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -4.4200 -2.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -3.5040 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -5.4630 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -6.5840 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -7.8850 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -8.8890 -2.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -7.9010 -4.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -6.7990 -5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -6.9040 -6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -5.5790 -4.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -4.4160 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -9.1680 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -9.8810 -5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -9.3800 -4.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -11.0750 -5.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -6.9020 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.8630 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.8540 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.8810 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -0.1200 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -2.5800 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -2.6450 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 0.1990 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -0.5730 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 0.9800 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -4.3080 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -5.3530 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -7.7090 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -7.5570 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -3.9260 -5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -4.7410 -6.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -3.7160 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -8.9690 -6.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -9.7920 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -11.4750 -6.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -11.5340 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -7.3120 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -7.7180 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -6.2540 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M CHG 1 14 1 M END