PUBCHEM-ZINC05781663 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 0.3420 1.7410 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 0.2500 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.5720 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -2.0550 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5730 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.7390 2.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -4.1850 2.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0420 -4.4450 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -4.7440 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.0010 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -7.9580 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -8.0040 2.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7300 -8.3530 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -6.5370 2.7670 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5590 -5.8960 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -6.2430 3.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7320 -6.4150 4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -4.7180 3.4850 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9080 -4.1430 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -4.4840 4.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -5.3420 4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -6.9130 3.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0410 -8.8920 2.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -8.4070 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 2.0520 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 2.3100 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.0060 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.0230 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0230 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -0.3160 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.3560 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -4.6110 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -4.2570 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -6.3230 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -7.5240 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -8.9390 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -7.5500 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -6.2040 1.3450 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3480 -6.6330 1.3520 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 23 24 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 38 1 M END