IBS-ZINC05205015 MOE2007 3D Structure written by MMmdl. 53 57 0 0 0 0 0 0 0 0999 V2000 0.9110 6.3590 5.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 5.8350 4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 5.3860 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 5.4700 3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 5.9780 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 6.4270 5.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 4.9830 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 5.7710 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 5.3490 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 4.1670 0.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 3.5010 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 3.9310 1.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 2.4280 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.4910 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 3.5180 -0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 1.4740 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 1.8820 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 0.9570 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -0.3870 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.8060 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 0.1190 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 6.0350 0.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 6.2080 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 5.5240 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 5.9660 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 6.6150 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4160 5.4830 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9000 5.8600 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2490 6.1820 -2.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 6.7070 6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 5.7750 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 4.9770 2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 6.0130 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 6.8210 6.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 6.6830 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 1.8270 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.9270 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 1.2880 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -1.1070 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -1.8540 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.2400 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 7.2820 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 5.8380 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 4.4460 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 5.7190 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6890 4.8940 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4920 6.4610 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 6.4550 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 7.6980 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 4.3990 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1060 5.8540 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0540 6.1030 -0.2680 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1180 7.1100 -0.4730 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 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 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 36 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 52 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 3 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END