ENAMINE-ZINC05071549 MOE2007 3D Structure written by MMmdl. 47 49 0 0 0 0 0 0 0 0999 V2000 3.7090 9.7920 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 10.4160 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 10.7160 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 11.9070 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 13.0600 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 14.0730 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 13.9150 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 12.7610 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 11.7720 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 9.9200 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 8.2790 1.4150 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 7.3860 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 5.8780 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 5.2590 -0.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 3.8920 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 3.0400 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 1.6550 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 1.1180 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 1.9580 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 3.3450 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 1.3870 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 15.2710 0.0500 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 15.0510 1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 16.4460 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 15.0540 -1.2350 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.6750 14.2080 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 8.8520 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 10.4600 -2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 9.5850 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 11.3450 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 9.7510 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 13.1640 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 14.9970 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 12.6400 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 7.6700 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 7.6810 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 5.5890 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 5.5780 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 3.4160 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 0.9910 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 0.0380 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 4.0120 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 1.2890 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 2.0290 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 0.4010 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 10.5290 1.2740 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0050 10.1250 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 46 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 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 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 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 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 25 -1 M CHG 1 46 1 M END