PUBCHEM-ZINC04097951 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.3940 1.7840 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 0.2660 -0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8080 0.0130 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.3370 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.8690 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -2.4630 0.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5810 -2.0900 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -1.8810 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -0.3670 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 0.2860 -2.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -4.0390 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -4.5500 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -4.7030 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -5.8800 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -6.0720 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -7.4770 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4550 -7.9570 -2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -9.2920 -2.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 -9.8950 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -9.7010 -3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -8.5830 -3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -8.7380 -3.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -9.9970 -4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -11.0930 -4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -10.9660 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 2.0900 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 2.2160 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 2.2220 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -0.0170 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 0.0340 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.2130 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.1940 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.1850 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.2030 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -4.3080 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -5.6410 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -4.1160 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -4.4860 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -5.7920 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -4.3670 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -6.5140 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -6.0970 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -5.8060 -3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -5.3860 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -7.4650 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -7.8940 -3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -10.1190 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -12.0620 -4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -11.8230 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -4.4440 -1.0900 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0590 -4.1970 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -3.8570 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 50 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END