IBS-ZINC05163900 MOE2007 3D Structure written by MMmdl. 54 58 0 0 0 0 0 0 0 0999 V2000 2.2780 4.1540 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 3.3310 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 1.9680 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 1.1850 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 1.7840 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 3.1440 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 3.9440 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 3.4750 0.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 4.4130 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 2.3710 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 1.3120 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 0.0650 -0.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 -0.0340 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 0.9320 0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 2.1830 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 3.1360 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 4.1340 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1440 5.4960 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 4.3780 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1560 3.0080 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4210 6.6140 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 7.5830 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 8.8520 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 9.5170 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4970 8.5470 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6620 7.2750 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 4.5470 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 4.9930 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 3.5540 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 1.4970 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.1270 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 5.0050 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -1.0110 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 3.7780 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 4.2710 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 5.9230 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 6.1820 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 4.8360 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 4.2780 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 2.4020 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7750 2.5060 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3970 6.2970 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 7.8720 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 7.1150 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5700 8.6030 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1010 9.5570 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5280 10.3820 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9240 9.8950 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5080 8.2820 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6020 9.0380 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1800 6.5820 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 7.5390 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 5.3320 1.0470 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0500 4.8430 1.8440 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 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 53 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 42 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END