PUBCHEM-ZINC05550343 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1090 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -0.5230 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.9160 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -2.8820 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -2.7760 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 -3.9280 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -5.1200 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -5.2790 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -4.1600 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -4.0130 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -4.7460 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -2.6730 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -2.0190 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -6.6340 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -7.7070 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -9.0630 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -10.1820 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -11.4480 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -11.6130 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -10.5100 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -9.2380 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -12.9760 -0.0430 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7670 -13.9480 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -13.1240 -0.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.1880 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 0.0580 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 -1.8060 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -3.8530 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -2.5920 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -6.7660 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 -7.5750 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 -10.0550 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 -12.3130 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -10.6470 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -8.3780 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 16 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END