我有多个文件,其中包含以下模式的数千行:
O HOH 1 11.700 -11.906 1.533
H HOH 0 12.561 -12.318 1.596
H HOH 0 11.445 -12.031 0.627
O HOH 2 17.897 8.999 -0.104
H HOH 0 18.444 8.521 0.516
H HOH 0 17.127 8.457 -0.223
O HOH 3 -0.688 10.310 -15.189
H HOH 0 -0.760 9.366 -15.055
H HOH 0 -0.494 10.665 -14.324
O HOH 4 -10.418 3.733 4.069
H HOH 0 -9.928 3.726 4.897
H HOH 0 -11.222 4.218 4.268
O HOH 5 2.655 -8.910 13.338
H …
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