PUBCHEM-ZINC04096327 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.1480 1.4800 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.0300 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6380 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -0.7340 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -0.1370 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -1.1170 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -2.3560 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -2.1490 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -3.2800 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -4.5630 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -4.7390 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -3.6380 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -0.9930 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 0.3630 0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7350 0.8810 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 0.3750 -0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1450 -0.1250 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 1.8480 -0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8840 2.4330 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 2.5250 1.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2030 2.0480 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 2.4000 1.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7320 2.9250 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 1.0200 1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 2.9690 2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 2.6800 2.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 1.7340 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1440 3.8920 1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0760 3.8620 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6520 1.8830 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8380 1.1420 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 -0.0710 -1.2790 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1780 1.8490 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.8470 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.8610 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 0.9100 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -3.1600 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -5.7430 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -3.7680 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 4.0520 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 2.4980 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 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 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 32 -1 M END