PUBCHEM-ZINC05139139 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.2580 1.5660 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.0640 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -0.2970 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -1.8070 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -2.1770 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -2.4410 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -2.8670 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -2.7600 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -2.3170 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -2.0960 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -2.3300 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -2.7680 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -2.9820 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -3.2890 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -2.8410 -2.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 -4.2090 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4850 -3.7110 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5480 -4.4770 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3060 -5.7420 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0050 -6.2480 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 -5.4990 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -6.1300 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 -5.8360 -1.5660 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2610 -2.3310 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 1.8010 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 1.9600 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 2.0860 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.4280 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.3030 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 0.2040 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 0.0820 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -2.3380 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -2.1970 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -1.7520 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -2.1680 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -2.9480 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0730 -3.3190 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6780 -2.7190 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5620 -4.0870 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1290 -6.3440 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8300 -7.2480 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -3.3240 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -1.7080 -3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -1.8760 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -6.9340 0.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 2 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 23 -1 M END