IBS-ZINC05460014 MOE2007 3D Structure written by MMmdl. 45 49 0 0 1 0 0 0 0 0999 V2000 1.7900 0.4490 4.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.1540 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 0.2390 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.2470 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 1.8380 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 1.4430 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.6390 1.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7690 1.2600 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 1.0630 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 1.6610 -1.1500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3430 1.3620 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 3.1240 -1.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 3.7050 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 3.0930 1.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 4.0480 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 3.9480 3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 5.1570 4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 6.4000 3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 6.4930 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 5.2870 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 1.1230 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 1.8580 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 1.3040 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 0.0140 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -0.7360 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -0.1840 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -0.5130 -1.8620 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.1390 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.9350 5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.2550 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 2.6120 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.9090 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.0330 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 1.3170 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 3.6690 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 2.9980 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 5.1360 5.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 7.3110 4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 7.4410 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 2.8700 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 1.8710 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -1.7430 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -0.7860 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 5.0160 0.2330 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9430 5.7170 -0.4980 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 44 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 44 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 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END