PUBCHEM-ZINC06847429 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -2.0390 0.6350 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.4180 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -1.1160 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.0820 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.3540 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -1.6600 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.6920 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 0.0080 -2.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 1.3010 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 1.8290 -1.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 2.0890 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 3.4230 -3.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 4.2710 -4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 3.8370 -5.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 4.7380 -6.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 6.0290 -6.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 6.4090 -5.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 5.5840 -4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 6.0220 -3.3790 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3720 5.2640 -2.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 7.1740 -3.2940 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8070 -1.9560 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -1.6910 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -3.4220 -2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 1.6060 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 0.6690 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 0.3910 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -0.9060 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.6260 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -3.1090 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -0.4360 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 1.6170 -4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 2.1140 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 2.8220 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 4.4350 -7.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 6.7360 -7.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -1.3140 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -0.6460 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -2.3320 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -1.9050 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -3.6110 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -3.6360 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -4.0640 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 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 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 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 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END