IBS-ZINC06662016 MOE2007 3D Structure written by MMmdl. 57 57 0 0 1 0 0 0 0 0999 V2000 2.2300 -6.5290 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -5.0090 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -4.6450 -2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -4.3280 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -2.7950 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -2.1220 1.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0910 -2.4480 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.5780 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.0580 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 2.0790 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 3.5970 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 4.2690 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 6.4910 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 6.3750 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -2.5360 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -2.3150 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -2.7080 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -3.3240 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -3.5490 4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -3.1550 3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.8080 6.2900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -6.9100 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -7.0300 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -6.8150 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -4.6900 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -4.8720 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -3.5820 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -5.2060 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -4.7130 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -4.6130 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.4260 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -2.5060 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -0.2080 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.1530 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -0.4050 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -0.3230 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 1.7710 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.6870 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 3.8710 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 3.9410 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 4.0950 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 3.8900 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 6.2930 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 7.5600 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 6.1340 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 5.8910 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 7.4420 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 6.2100 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -1.8420 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -2.5350 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -4.0310 5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -3.3460 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.4440 -0.1820 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0190 1.7930 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.7250 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 5.7670 -1.9550 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9030 5.9460 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 56 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 56 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 53 1 M CHG 1 56 1 M END