0 mol 90 unq 0 iso 0 dist 9.69413 5.22926 7.94379 8.48921 5.12529 8.6308 7.89197 9.06641 6.3566 6.6146 numMergedOcc 0
1 mol 134 unq 0 iso 0 dist 6.25968 5.58691 6.00896 11.2782 6.01484 7.94564 10.9848 9.88178 5.57607 7.85526 numMergedOcc 0
2 mol 134 unq 1 iso 0 dist 6.25968 5.58691 6.00896 14.045 10.6104 9.21999 10.9848 9.88178 5.57607 5.33543 numMergedOcc 0
3 mol 140 unq 0 iso 0 dist 9.16949 6.09043 6.55217 9.83976 4.8476 9.74209 5.14081 7.60956 5.00766 8.05043 numMergedOcc 0
4 mol 140 unq 1 iso 0 dist 8.65294 6.09043 7.21686 9.83976 8.53976 9.74209 5.14081 9.9171 5.00766 8.05043 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.07154 11.5349 9.54774 16.1939 12.5216 7.21636 21.3941 18.979 10.7416 7.53834 numMergedOcc 0
6 mol 183 unq 0 iso 0 dist 6.23903 5.24086 9.84649 10.9979 9.01399 9.82833 7.14992 8.97652 4.92164 7.69421 numMergedOcc 0
7 mol 183 unq 1 iso 0 dist 8.39603 13.0499 9.84649 13.5932 9.01399 9.82833 10.0544 8.97652 4.92164 7.69421 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 9.77271 4.50907 8.49577 5.34832 8.78766 5.13722 12.6902 18 12.9481 9.45847 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 8.27545 5.31675 5.83093 7.74423 5.21255 7.72242 4.2039 6.2016 6.16078 7.30965 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 8.29033 12.4349 8.24741 18.9361 12.3913 9.05082 22.9145 16.5565 15.6116 7.20862 numMergedOcc 0
11 mol 226 unq 1 iso 0 dist 5.44698 11.1522 8.24741 15.7841 12.3913 9.05082 18.991 16.5565 15.6116 7.20862 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 9.19442 4.30527 8.92121 7.90449 11.8831 8.33254 5.28237 12.9581 7.88007 5.38325 numMergedOcc 0
13 mol 239 unq 1 iso 0 dist 6.77267 11.0259 7.10828 10.0379 5.94643 8.01565 4.43495 7.58554 8.46058 9.59937 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 7.87577 5.06393 8.73425 8.8726 5.27718 6.59521 4.69752 8.10903 5.79358 7.70189 numMergedOcc 0
15 mol 258 unq 1 iso 0 dist 5.86702 5.06393 9.65711 8.8726 9.46467 6.59521 4.69752 7.25618 5.79358 7.70189 numMergedOcc 0
