FDA-ZINC03782807 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 1.7030 0.5530 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 0.4740 4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.4430 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -0.4710 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 0.4110 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 0.1720 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -0.8490 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -1.6720 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -1.4870 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -2.2810 4.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -3.2780 4.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -3.5370 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 -2.7280 3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -2.9380 3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -4.1220 5.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -5.0340 6.5430 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1530 1.0290 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 0.8070 0.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 2.1860 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 2.3440 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 1.4900 1.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 1.7430 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 0.8550 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 3.6000 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 4.7030 0.0950 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8110 1.2050 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -0.4360 5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.9600 4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 1.4840 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 0.1020 5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -1.4540 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.2180 2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -0.9850 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -4.3230 5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 2.8520 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.6930 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 2.7820 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.2080 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 1.0080 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 1.0930 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -3.8090 6.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 3.3690 -1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 41 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 42 2 0 0 0 0 M CHG 1 16 -1 M CHG 1 25 -1 M END