IFLAB-ZINC04315203 MOE2007 3D Structure written by MMmdl. 48 51 0 0 0 0 0 0 0 0999 V2000 2.7070 4.5390 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 3.8480 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 4.6400 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 4.0600 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 2.6800 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.8770 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 2.4430 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 1.5240 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 0.4230 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 0.2610 -3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -0.3090 -3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 0.5580 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 0.7140 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -0.5520 -5.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 0.3730 -6.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 1.3750 -6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -0.2240 -7.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 0.3150 -8.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -0.6150 -9.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -2.0040 -9.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -2.5310 -8.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -1.5960 -7.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 4.2290 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 5.6280 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 4.3130 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 5.7250 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 4.6890 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 2.2300 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.8000 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 1.9520 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 0.5430 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -0.5440 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.9250 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 1.2310 -4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.3970 -4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -1.3170 -3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 1.5470 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 0.1130 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 1.4170 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -0.2460 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 1.3820 -8.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 -0.2580 -10.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -2.6850 -10.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -3.5940 -8.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -1.7450 -5.8850 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9880 -2.6400 -5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 1.2740 -1.4990 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7720 2.2010 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 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 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 45 2 0 0 0 0 15 16 1 0 0 0 0 15 17 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 45 1 M CHG 1 47 1 M END