MT from job 1251 (LKU-53) GPU (test-2)
1.00000000000000
17.1499999999999986 -0.0428750000000000 0.0000000000000000
-0.0428750000000000 17.1499999999999986 0.0000000000000000
0.0000000000000000 0.0000000000000000 17.1499999999999986
Si C O H
69 59 88 164
Direct
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