0 mol 92 unq 0 iso 0 dist 5.74364 9.18898 9.52463 4.52119 4.98104 6.95572 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 5.74364 7.67331 6.07224 4.52119 4.98104 7.38677 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 5.28955 8.75431 5.01597 10.7421 9.93703 8.99399 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.3243 9.04845 4.7146 13.7612 6.11955 5.87634 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.95239 7.94325 4.7146 12.9605 6.11955 5.87634 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 6.23615 6.72323 4.7146 4.64588 6.11955 5.87634 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 4.96259 6.95568 5.87168 4.11061 6.00053 6.59025 numMergedOcc 0
7 mol 188 unq 0 iso 0 dist 8.48582 9.37017 8.98299 4.04545 9.24118 8.10214 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 7.56537 8.98598 4.91904 4.57437 8.64255 7.50013 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 7.56537 7.06689 7.59634 4.57437 8.64255 5.81233 numMergedOcc 0
10 mol 197 unq 2 iso 0 dist 7.56537 9.69601 10.3181 4.57437 8.64255 6.92924 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 6.09754 5.86419 5.42117 4.78067 8.43584 4.8668 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 8.10096 7.04477 7.93097 5.47434 9.5723 6.11704 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.4886 8.63176 8.01004 8.27707 6.09782 9.63959 numMergedOcc 0
14 mol 273 unq 0 iso 0 dist 8.78928 6.38341 5.06747 5.75973 8.90885 8.83865 numMergedOcc 0
15 mol 273 unq 1 iso 0 dist 8.78928 6.38341 5.06747 9.40198 9.96963 9.18157 numMergedOcc 0
