IBS-ZINC04729133 MOE2007 3D Structure written by MMmdl. 55 57 0 0 1 0 0 0 0 0999 V2000 0.6210 -0.0350 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -0.4500 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -1.2160 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.3610 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -4.3260 -0.5940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0450 -5.3030 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -6.7720 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -7.0780 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -6.1310 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -4.6390 -0.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9010 -4.0720 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -4.2180 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -2.7210 1.0410 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2400 -2.2170 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -2.3280 1.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2630 -0.7780 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -0.1990 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 -0.6870 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 -2.2080 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -2.8950 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -3.3220 3.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -4.4250 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -4.3880 -3.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 0.0600 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.4880 -3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 0.9320 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 0.4810 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -1.2130 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -0.2860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.2730 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -1.4790 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -3.2230 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -2.0730 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -5.1520 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -5.1650 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -7.0190 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -7.4170 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -8.1120 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -7.0100 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -6.3450 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -6.3450 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -4.4420 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -4.7910 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -0.4320 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -0.3460 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.4660 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 0.8960 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -0.3460 3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -0.2310 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7040 -2.4840 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -2.6730 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.9640 -1.6660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9280 -1.8500 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -2.8040 -0.1660 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1480 -2.2930 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 52 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 3 0 0 0 0 22 23 3 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 52 1 M CHG 1 54 1 M END