PUBCHEM-ZINC05335957 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 0.9890 1.2440 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.2280 -0.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0560 -0.8470 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -0.6730 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -2.0760 0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -2.7130 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.0730 3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -2.7020 4.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -4.0000 4.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -4.6730 3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -4.0280 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -4.7670 1.4010 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0740 -4.1590 0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -5.9530 1.6360 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4090 -4.6580 5.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0770 -4.0250 6.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -5.8040 6.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0490 1.4490 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.5400 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.8830 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.5240 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.0480 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -2.6850 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -1.0680 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -2.1600 5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -5.6840 3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -0.4570 -0.4250 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8700 -1.4440 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -0.2320 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 0.0960 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 27 1 M END