IBS-ZINC05454121 MOE2007 3D Structure written by MMmdl. 45 49 0 0 0 0 0 0 0 0999 V2000 3.9870 -2.3680 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -2.3260 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.1430 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.1360 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.2760 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -3.4500 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -3.4800 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -4.9950 -0.7750 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 0.0320 0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.3720 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 2.4840 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 3.2000 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 1.9010 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 1.2880 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 2.0290 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 3.4270 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 4.0090 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.3460 -3.5040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 2.4980 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 1.5330 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 1.9340 4.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 1.4280 4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 3.1360 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 3.5170 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 4.7190 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 5.4960 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 5.0920 3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 3.9030 4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 -2.6920 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -3.0420 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -1.3900 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.2410 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -2.2540 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -4.3430 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -0.2020 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 0.2560 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 3.9830 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 5.0470 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.6130 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 5.0470 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 6.4220 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7490 5.7090 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 3.5910 4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 3.5840 0.8720 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1790 4.5150 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 19 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 44 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END