IBS-ZINC05454857 MOE2007 3D Structure written by MMmdl. 53 56 0 0 1 0 0 0 0 0999 V2000 0.2020 -0.0110 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 0.1540 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 0.7970 0.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8510 0.2310 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 0.7160 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 2.1940 0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 3.1090 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 4.2120 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 5.0940 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 4.7690 -3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 3.6300 -2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 2.9110 -1.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 2.0600 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 1.2440 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 0.5090 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 0.6020 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 1.4540 -3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 2.1790 -3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 5.5070 -4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 6.0690 -5.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 6.2890 -1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 4.5240 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 5.7220 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 6.6910 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 7.8030 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 7.9450 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 6.9810 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 5.8700 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 9.3180 3.7480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 0.9540 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -0.6300 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.5030 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -0.8390 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.7510 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 1.2830 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -0.3230 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 1.1200 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 2.5610 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 1.1920 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -0.1480 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 0.0110 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 1.5600 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 7.0360 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 5.9960 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 6.7980 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 3.6800 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 4.6520 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 6.5930 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 8.5510 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 7.0860 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 5.1310 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 3.1510 -3.7710 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7670 3.4850 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 52 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 52 1 0 0 0 0 19 20 3 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END