PUBCHEM-ZINC06646557 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 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 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1010 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -2.8750 1.4810 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4210 -1.9300 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -3.4740 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2780 -3.5890 2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -2.6150 3.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6140 -4.8160 3.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 -5.9000 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8750 -6.9650 3.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 -5.8970 1.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -4.7640 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -4.7770 -0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -3.8050 2.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8640 -3.4590 3.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -4.9240 1.6670 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 -0.3430 -2.6010 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.7440 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -2.0080 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -3.5830 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 -2.7780 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 -4.9140 4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 -6.7340 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END