Error when running shape-based search

[Kartinaa]

Hello,

When I try to run the shape-based search using a test dataset, I keep having this error:

When I prepare my database, I used this command: vsflow preparedb -i test.smi -o test -s -c -np 6

And the command to run the shape-based search is this: vsflow shape -i 111.smi -d test.vsdb -o test_3Dsim -np 30

I'm not sure why this happens, and attached the test files I used for my task. Because I can not attach smi file, I converted them to txt file and attached them here. Really appreciate it if you could help me with this! 111.txt test.txt

Best, Bo