PUBCHEM-ZINC05769176 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.4090 1.7110 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 0.3320 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4180 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 0.2040 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5900 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 2.3400 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -0.6040 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.9100 -1.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7740 -1.2680 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0720 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.8060 -0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 0.2900 -2.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 1.0300 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 0.4850 -3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 1.7860 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 3.0650 -3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 4.2380 -4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 4.1910 -5.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 2.9670 -6.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 1.7830 -5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 0.6940 -6.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -0.4560 -5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -0.6140 -4.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 3.2490 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 4.3500 -1.4440 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3230 2.2970 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.1580 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -1.4910 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 2.0970 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 3.4160 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.0710 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -1.5330 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 5.1980 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 5.1000 -6.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 2.9360 -7.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -1.3450 -6.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -3.2030 -1.7530 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0810 2.2990 -1.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 24 25 1 0 0 0 0 24 38 2 0 0 0 0 M CHG 1 25 -1 M CHG 1 37 -1 M END