IFLAB-ZINC04315270 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 -5.4000 -0.7500 9.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -2.1360 9.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -2.7070 8.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -1.8190 7.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -0.4500 7.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 0.1320 8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 0.0930 6.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 1.0810 5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -0.8600 5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -0.6750 3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 0.2840 2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 0.3940 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -0.1480 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -0.2610 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 1.0290 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 1.7550 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.0780 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 1.7490 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 3.1010 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 3.7720 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 3.1180 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 5.0720 0.2560 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 -0.3570 10.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8560 -2.7780 10.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -3.7680 7.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 1.1960 8.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -1.6800 3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 1.2770 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 -0.0580 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 1.1590 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -0.5620 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -1.1140 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 0.2440 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 0.6980 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.9910 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 1.6220 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 0.0450 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.0230 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 1.2190 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 3.6330 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 3.6930 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -2.0190 5.7430 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5670 -2.9240 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 0.8110 1.3840 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7740 1.7300 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 42 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 44 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 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 22 1 0 0 0 0 21 41 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 42 1 M CHG 1 44 1 M END