IBS-ZINC02273278 MOE2007 3D Structure written by MMmdl. 49 52 0 0 0 0 0 0 0 0999 V2000 2.9820 7.4670 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 6.0470 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 5.1380 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 3.8020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.3610 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 4.2660 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 5.6010 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 3.8400 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 1.9890 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 1.5740 1.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 2.1780 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.1930 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.2170 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -1.5430 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -1.9590 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -3.2360 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -4.1070 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -3.7030 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.4270 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -0.5890 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -1.7010 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -2.4370 3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -2.0680 2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -0.9620 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -0.2230 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 2.8720 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 7.5550 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 8.1420 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 7.8000 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 5.4810 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 6.3040 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 3.6860 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 4.5970 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 2.9160 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -1.3030 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -3.5520 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -5.1010 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -4.3820 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -2.1380 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -2.0070 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -3.2980 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -2.6420 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -0.6740 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 0.6310 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 2.1830 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 3.4240 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 2.3000 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 0.9300 0.1810 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8050 0.9690 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 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 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 48 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END