ENAMINE-ZINC06601959 MOE2007 3D Structure written by MMmdl. 54 57 0 0 1 0 0 0 0 0999 V2000 4.1240 2.8670 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.4910 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 2.2010 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 1.1420 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.5100 -1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 1.8940 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 2.9500 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 1.4100 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 1.1730 -0.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 1.6490 -2.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1940 2.6740 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 1.6240 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 1.7650 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 2.0790 -4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 2.1930 -5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 1.9890 -6.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 1.6650 -6.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 1.5360 -5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 1.1960 -5.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 0.7410 -3.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.9520 -3.4260 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -1.5140 -4.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -1.2000 -2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -1.7310 -3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -1.9630 -4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -2.6070 -3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -2.8600 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 -2.3260 -1.9100 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 2.6440 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 1.9420 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 3.5620 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 3.7820 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 4.3690 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 3.1460 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 1.8370 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 0.9610 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 0.1920 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.9820 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 2.2840 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 3.1060 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 3.9010 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 0.6970 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 2.4450 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 2.2370 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6830 2.4400 -5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3590 2.0820 -7.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 1.5100 -7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 0.4480 -5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 2.0930 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -1.6770 -5.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -2.8740 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 -3.3380 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 2.4940 -0.3530 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6100 1.6100 -0.5670 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 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END