IBS-ZINC04974079 MOE2007 3D Structure written by MMmdl. 54 58 0 0 0 0 0 0 0 0999 V2000 2.4690 1.2460 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 1.9000 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 1.1920 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 1.8150 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 3.1540 -1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 3.8850 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 3.2480 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 5.2560 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 6.1000 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 7.3280 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 7.1430 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 5.9150 0.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 8.3630 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 8.0750 -1.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 6.8490 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 5.8080 -2.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 9.6290 -0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 9.9260 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 11.2000 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 11.9950 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 10.7160 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 13.6700 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 14.2460 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 14.7850 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 15.3020 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 15.2890 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 14.7660 4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 14.2470 3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 1.4140 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 1.6500 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.1680 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 0.1520 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 1.2570 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 3.5820 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 3.7950 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 7.8550 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 6.6870 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 10.0750 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 9.1080 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 11.0660 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 11.4830 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 11.8680 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 12.8390 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 10.4690 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 10.9120 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 13.5030 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 14.3810 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 14.8210 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 15.7240 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 15.6950 5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 14.7680 5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 13.8480 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 12.3550 0.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6120 12.4870 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 53 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 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 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END