IBS-ZINC02116394 MOE2007 3D Structure written by MMmdl. 49 49 0 0 1 0 0 0 0 0999 V2000 -5.3590 3.8970 4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 3.9240 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 3.5250 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 5.3000 2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 5.7860 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 7.2790 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 8.0050 4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 7.3560 4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 5.8710 4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 5.1270 3.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4120 5.2070 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 3.1870 5.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 1.6630 5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 1.1700 6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.8280 8.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -0.9750 5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 4.5900 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 2.8930 4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 4.1730 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 3.1680 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 4.2130 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 3.5200 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 2.5190 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 6.0340 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 7.3780 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 7.7850 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 9.0550 3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 7.9990 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 7.4780 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 7.8600 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 5.7830 5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 5.4250 5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 3.6740 5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 3.5030 6.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 1.2110 5.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 1.3560 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 1.5280 6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 1.5110 7.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -0.4750 8.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -1.9200 8.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -0.4250 8.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -0.7280 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -2.0590 5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -0.5910 6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 3.6490 3.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1030 3.3300 3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 3.1960 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -0.3430 6.6430 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.6980 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 48 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 48 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 48 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 45 1 M CHG 1 48 1 M END