IBS-ZINC02206596 MOE2007 3D Structure written by MMmdl. 40 43 0 0 0 0 0 0 0 0999 V2000 -1.9120 10.2860 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 9.5810 1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 8.2360 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 7.6160 0.5780 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0160 8.2630 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 9.6080 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 6.2750 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 5.3740 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 3.9270 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 3.1360 0.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 3.4470 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 2.0920 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 1.6590 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 2.5670 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 3.9220 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 4.3720 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 5.8150 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 6.6200 0.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 5.8210 0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 4.7530 0.4560 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 5.5160 0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 3.9360 -0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 3.7000 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 3.9380 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 2.9530 4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 1.7780 3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 2.0400 1.9920 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 11.3400 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 10.0800 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 7.6810 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 7.7300 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 10.1280 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.3770 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 0.6050 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 2.2190 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 4.6280 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 6.7620 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 4.8830 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 3.1170 5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 0.9090 4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 1 4 1 M END