PUBCHEM-ZINC03680001 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0380 1.5650 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0360 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -0.4630 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.7950 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -2.5190 0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -2.3860 0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5840 -1.7820 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -2.4060 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -2.8830 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -4.1810 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5230 -4.6200 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 -3.7530 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -2.4540 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -2.0230 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -0.6370 -0.5600 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4640 0.0910 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -0.2240 -0.6670 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.8300 -4.1790 -1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8210 -3.2340 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 -5.8960 -2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 -6.7300 -2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.9400 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8910 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.9540 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -0.3530 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.2890 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -1.4020 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -3.0810 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -4.8520 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0190 -1.7780 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8050 -3.7020 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6080 -2.9040 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8040 -2.3760 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0990 -7.7190 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 -6.2890 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -6.8180 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -4.1540 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -3.7580 0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -4.3380 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 38 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END