CMU Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 28 0 0 0 0 0 0 0 0999 V2000 2.6975 6.5031 -0.2410 CL 0 0 0 0 0 3.3318 4.9198 0.0099 C 0 0 0 0 0 2.7430 3.9903 0.7808 C 0 0 0 0 0 1.4728 4.1667 1.5320 C 0 0 0 0 0 0.3894 3.7656 0.6689 N 0 0 0 0 0 0.1509 2.3602 0.3896 C 0 0 0 0 0 -0.8948 2.4259 -0.7258 C 0 0 0 0 0 -1.6825 3.7092 -0.4561 C 0 0 0 0 0 -0.6498 4.5650 0.2432 C 0 0 0 0 0 -0.8439 5.8324 0.3789 N 0 0 0 0 0 3.3144 2.7437 0.9305 N 0 0 0 0 0 4.4974 2.3503 0.3273 C 0 0 0 0 0 4.9831 1.2298 0.4796 O 0 0 0 0 0 5.0936 3.3257 -0.4681 N 0 0 0 0 0 4.6105 4.6070 -0.6901 C 0 0 0 0 0 5.1815 5.4256 -1.4056 O 0 0 0 0 0 1.3649 5.2171 1.8149 H 0 0 0 0 0 1.4952 3.5446 2.4299 H 0 0 0 0 0 -0.2537 1.8614 1.2760 H 0 0 0 0 0 1.0567 1.8421 0.0614 H 0 0 0 0 0 -1.5328 1.5379 -0.7550 H 0 0 0 0 0 -0.3891 2.5078 -1.6962 H 0 0 0 0 0 -2.5173 3.5320 0.2289 H 0 0 0 0 0 -2.0446 4.1786 -1.3732 H 0 0 0 0 0 -0.0463 6.2459 0.8725 H 0 0 0 0 0 2.8347 2.0723 1.5224 H 0 0 0 0 0 5.9645 3.0752 -0.9276 H 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 15 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 17 1 0 0 0 4 18 1 0 0 0 5 6 1 0 0 0 5 9 1 0 0 0 6 7 1 0 0 0 6 19 1 0 0 0 6 20 1 0 0 0 7 8 1 0 0 0 7 21 1 0 0 0 7 22 1 0 0 0 8 9 1 0 0 0 8 23 1 0 0 0 8 24 1 0 0 0 9 10 2 0 0 0 10 25 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 26 11 1 0 0 0 27 14 1 0 0 0 M END $$$$