PUBCHEM-ZINC04517331 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 0 0 1 0 0 0 0 0999 V2000 -0.4520 0.7510 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -0.5460 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -1.0760 0.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.2730 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -0.7480 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 1.0780 0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 1.5660 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 2.9130 1.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.4890 0.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9640 -2.8870 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -2.7080 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -4.0850 -1.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 -4.3040 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -4.0920 -0.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7010 -5.0890 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -3.2600 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -3.4850 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -3.6670 -0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 -4.8350 -0.5600 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -4.3840 -1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 -4.8290 0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 -5.8200 0.7950 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0310 -6.2930 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2110 -5.1630 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -5.2310 2.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0910 -5.5570 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -6.2220 3.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 -6.8460 1.8970 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3530 -7.7120 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -7.3240 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 -8.2570 3.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 -7.8220 3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -3.9730 3.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 -3.4810 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -2.3230 4.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 -2.0410 4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7010 -3.0500 3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0390 -3.1090 3.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6020 -2.0220 4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9970 -0.9700 4.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 -0.9580 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0060 0.1110 5.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -5.0480 -1.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -5.0410 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 1.2010 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -1.2180 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 3.4020 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 3.4470 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -1.9720 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -2.6250 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -2.4070 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -3.9390 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 -4.1460 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0620 -5.7690 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -7.8390 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -6.5020 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -4.0030 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6870 -1.9850 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 0.1200 5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 0.8480 5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -6.1550 -0.5900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 61 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 58 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 59 1 0 0 0 0 42 60 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 61 -1 M END