IFLAB-ZINC04315326 MOE2007 3D Structure written by MMmdl. 48 51 0 0 1 0 0 0 0 0999 V2000 -8.3420 5.2180 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3280 4.0850 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7000 4.3920 -2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6580 3.3870 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2630 2.0580 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9070 1.7330 -2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9240 2.7330 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 2.3210 -2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 1.1260 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 1.2000 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 1.2240 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 2.3640 0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0920 3.3160 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 2.3160 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 2.4240 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 1.4340 -0.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 0.4910 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 1.8590 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.2020 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 1.9650 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.3090 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 3.9560 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 3.1870 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 5.2430 -3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8480 6.1880 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 5.1170 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0360 5.4260 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7150 3.6430 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0120 1.2760 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6290 0.6840 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 3.0240 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3170 1.3280 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 1.2050 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 0.2000 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 2.1000 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 0.3410 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 0.2630 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 1.3280 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 3.2080 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 1.4260 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 0.1710 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 1.5100 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 3.8570 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 4.9850 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 3.4830 0.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8860 4.3830 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 2.2840 -1.2740 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2270 3.1440 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 45 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 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