L5DFS2 -OEChem-05022322533D 37 39 0 0 0 0 0 0 0999 V2000 -3.8685 0.8541 0.2246 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 3.2042 -0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8255 0.2416 -0.4953 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0277 1.7707 -0.2562 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 -0.6340 -0.2323 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 -1.0807 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6506 -1.6468 0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8147 -1.0161 -1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9608 -1.0117 1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -0.6008 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 0.4337 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 2.8950 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 2.0705 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 -0.3847 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 0.8735 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 3.1075 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6327 -1.4041 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8936 -0.8652 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3932 -2.8118 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -3.9951 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7856 -1.7437 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.4531 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 -2.7341 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -2.0124 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.3267 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -1.7077 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -0.1270 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8624 0.4841 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -1.0730 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 1.0240 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 2.7191 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 3.8125 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 3.3385 1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 2.2336 1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 3.9499 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8338 -1.3870 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 -5.0446 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 30 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 11 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 3 0 0 0 0 20 37 1 0 0 0 0 M END $$$$