ENAMINE-ZINC00227497 MOE2007 3D Structure written by MMmdl. 40 41 0 0 0 0 0 0 0 0999 V2000 -0.9570 6.0120 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 5.0030 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 3.6920 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 3.0520 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 3.8850 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 5.4260 0.2580 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 3.4980 -0.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 4.2530 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 5.4380 0.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 3.5360 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 2.1570 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 1.5380 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 2.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 3.6670 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 4.2890 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 1.6220 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8710 2.2110 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9520 0.0890 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6140 1.9000 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 1.6660 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 1.2660 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 6.8820 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 5.5910 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 6.3500 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 3.2130 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 2.5120 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 1.5320 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4290 0.4610 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 4.2930 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 5.3680 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4280 2.0570 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 1.7370 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 3.2880 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3560 -0.4090 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9650 -0.3290 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 -0.1900 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 2.9700 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 1.4150 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9830 1.5210 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 0.9690 -1.2230 O 0 5 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 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 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 M CHG 1 40 -1 M END