IBS-ZINC05206401 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 4.1500 -3.2580 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -2.5550 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -0.5710 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 0.8970 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 1.7630 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 1.1810 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 2.0010 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 3.3490 0.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 3.8570 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 3.1740 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 4.2140 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 5.4290 0.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 5.1820 0.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 5.9610 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 4.0340 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 1.3930 0.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 1.7320 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 1.0390 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 1.3230 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 2.3190 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 3.0080 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 2.7180 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 2.6030 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.3150 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -4.3310 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.8800 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -3.1390 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -2.8730 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -2.7600 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -0.7250 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -1.1710 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 1.2700 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 0.9800 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 3.1430 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 4.8490 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.6310 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 0.2640 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 0.7640 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 3.7780 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 3.2760 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 1.9630 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 2.4230 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 3.6510 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -0.7250 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -0.5650 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -1.0550 -0.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4730 -0.7970 -1.1880 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 28 1 0 0 0 0 2 29 1 0 0 0 0 2 46 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 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 13 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 13 14 1 0 0 0 0 15 34 1 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 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END