OAKWOOD-ZINC02599627 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 -2.4870 1.5120 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 2.0010 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 3.2370 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 3.6210 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 2.7710 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 1.5070 0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 1.1150 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.5860 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 0.4320 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 0.4790 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -0.3050 2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 0.0150 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 1.4580 3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 1.1030 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.9090 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -2.1020 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -3.3930 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -4.4880 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -4.3190 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -3.0290 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -5.7250 -1.9180 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 0.6390 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 2.2770 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 1.2250 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 3.9750 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 4.6290 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 3.0350 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -0.4630 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 1.2570 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -0.4840 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -1.2360 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -0.8450 4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 0.8780 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 1.5740 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 2.3690 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 0.2510 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 1.9590 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -1.2570 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -3.5500 -2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -5.1900 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.9120 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.1310 -0.4120 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.6530 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 0.7950 1.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 0.3520 4.3430 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5900 0.6200 5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -0.4870 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 42 2 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 44 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 45 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 44 1 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 42 43 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 42 1 M CHG 1 45 1 M END