PUBCHEM-ZINC00552370 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.8250 -2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.7920 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 1.5960 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 1.9530 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 1.8970 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 2.3460 -1.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 2.2860 -2.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6410 3.2780 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 1.3280 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 1.6230 -4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 0.7440 -5.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -0.4310 -5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -0.7270 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 0.1500 -3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -1.3730 -6.7200 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0620 -1.1120 -7.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -2.4080 -6.6870 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5120 2.7700 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 4.2810 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8840 4.7060 -3.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 6.0040 -3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 6.8210 -2.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4650 6.4410 -3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 1.2050 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 2.5410 -4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 0.9750 -6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 -1.6450 -4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -0.0820 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 2.5250 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 2.2550 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 4.5260 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 4.7960 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4080 4.0530 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9210 5.5750 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1820 6.8970 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1750 7.1670 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.6620 -2.3360 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 4 2 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 26 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END