IBS-ZINC05460019 MOE2007 3D Structure written by MMmdl. 45 49 0 0 1 0 0 0 0 0999 V2000 -1.6900 9.0230 5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 9.0910 5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 8.6530 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 8.1460 2.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 8.0750 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 8.5160 4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 7.6490 1.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6300 8.0360 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 6.1200 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 5.6420 0.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7360 6.0710 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 6.0750 -0.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 7.3610 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 8.1430 0.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 9.4510 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 10.6610 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 11.7860 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 11.6970 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 10.4790 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 9.3750 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 4.1300 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 3.5180 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.1260 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 1.3430 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 1.9240 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 3.3150 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 0.0090 -0.2530 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 9.3610 6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 9.4800 5.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 8.7110 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 7.6750 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 8.4590 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 5.7170 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 5.7520 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 5.5430 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 10.7350 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 12.7570 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 12.6010 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 10.3980 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 4.1150 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.6500 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 1.2930 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 3.7520 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 8.0600 -1.3680 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9120 7.6940 -2.1830 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