CHEMBRIDGE-ZINC04989423 MOE2007 3D Structure written by MMmdl. 53 55 0 0 1 0 0 0 0 0999 V2000 1.8550 5.7000 7.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 5.7020 7.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2970 6.5550 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 5.8810 8.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 5.8400 7.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 4.5590 6.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 4.3760 5.7810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5360 5.1520 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 4.4150 6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 2.6720 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 1.2340 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 0.8050 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 3.1920 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 3.6260 2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.3050 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 2.0230 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 1.7600 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 2.4570 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 3.4170 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 3.6810 -3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 2.9870 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 4.8670 8.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 5.6080 6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 6.6310 8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 6.8370 8.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 5.0920 8.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 6.7090 7.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 5.9140 8.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 4.5920 6.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 3.7030 7.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 3.5400 6.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 4.3620 5.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 2.7190 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 1.1370 3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 0.5510 4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.1890 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 0.8010 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 3.2320 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 3.8330 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 3.6710 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 4.6430 2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 0.2330 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 1.4270 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 1.0070 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 2.2470 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 3.9560 -4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 4.4280 -3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 3.2120 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 3.0440 5.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6750 3.0020 4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 2.3150 5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 1.7680 1.1030 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1330 1.7400 1.0130 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 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 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 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 49 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 52 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 49 1 M CHG 1 52 1 M END