PUBCHEM-ZINC00848822 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.1440 1.6160 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 0.1270 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.4440 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -1.8290 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.6720 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.1040 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.7070 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -2.9410 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -4.1100 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -4.7020 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -6.3980 1.2830 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -6.2290 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -4.9770 -0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -8.6230 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -9.1500 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -10.5290 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -11.3970 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -10.9080 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -9.5290 -2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -13.1800 -0.7420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -13.7520 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -13.3650 0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -13.4780 -1.4460 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.9770 -13.2600 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 2.0380 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.8810 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 2.0770 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 0.1850 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -2.2430 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -0.2610 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -3.4430 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -2.3270 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -3.6860 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -4.2430 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -8.5000 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -10.9160 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -11.5860 -2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -9.1650 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -7.2520 -1.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -6.9820 -2.2830 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 23 -1 M END