PUBCHEM-ZINC05041749 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 1.4880 1.4000 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.0720 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.6440 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -1.9990 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -2.7390 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.1570 1.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -0.8680 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -4.1040 -0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -4.8470 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -4.0940 2.4640 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -6.1840 0.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -6.9490 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -6.4670 3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -7.2240 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -8.4630 4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -8.9500 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -8.2000 2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -8.6800 0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -9.9690 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -9.2690 5.6270 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1410 -8.8410 6.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -10.3600 5.6360 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5560 1.9510 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.5720 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 1.7410 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.0440 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -2.4760 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -0.4290 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -4.5200 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -6.6160 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -5.5000 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -6.8480 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -9.9180 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -9.9490 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -10.7090 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -10.2310 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END