PUBCHEM-ZINC05455178 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0860 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0730 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7440 -2.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.9570 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1370 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -4.8040 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -6.2950 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -6.8050 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -8.1730 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -9.0330 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -8.5280 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -7.1560 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -6.6460 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -7.5340 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -8.7650 0.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -9.4740 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -8.7170 -0.0620 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8300 -7.9600 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -9.9220 -0.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0640 -2.7700 2.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -1.9950 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1630 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1400 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.6140 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.3400 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -1.3150 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -4.5240 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -4.5140 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -6.1350 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -10.1010 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 -7.0870 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -7.7240 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -9.8850 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -10.2850 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -1.3540 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -1.3790 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.6620 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END