IBS-ZINC05453408 MOE2007 3D Structure written by MMmdl. 48 52 0 0 0 0 0 0 0 0999 V2000 9.6600 4.5700 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 5.4240 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 6.7620 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 7.5570 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 6.9890 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 5.6480 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3970 4.8750 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 5.1070 -0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 3.7720 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0180 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 1.6900 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 2.8870 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 3.1420 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 2.1130 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 0.7820 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 0.5710 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 3.3910 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 4.5940 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 4.9360 -3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 4.0740 -3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 2.8650 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 2.4980 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 1.2940 -1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 0.5100 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.8920 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 2.0680 -2.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 8.9810 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2840 4.0760 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1860 3.8070 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 5.1730 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8670 7.1890 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 7.6030 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 3.8320 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 5.8400 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1530 4.1430 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 2.2570 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 -0.0120 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -0.3940 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 5.2830 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 5.8710 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 4.3450 -4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -0.4390 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 0.2640 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 9.0280 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9510 9.4230 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 9.5920 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 1.7430 -0.6950 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1640 1.0250 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 17 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 47 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END