PUBCHEM-ZINC05997743 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 0.1240 1.5950 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 0.0770 -0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0060 -0.2270 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.3620 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -1.0090 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.5580 1.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -0.5660 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.0510 2.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -1.2250 3.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.3470 4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.8660 5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.9320 7.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.4060 8.1150 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2890 -1.6610 8.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -2.4610 9.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -3.6640 9.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -4.4690 10.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -3.6270 8.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 1.9200 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 2.0740 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 1.9790 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -1.0190 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -1.6350 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.3630 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -2.0230 4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -2.8600 5.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.2140 5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.9440 7.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -2.6080 7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -0.6500 8.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -2.3400 10.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -4.4340 8.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.0360 -2.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 32 1 0 0 0 0 M CHG 1 13 1 M CHG 1 33 -1 M END