0 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 13.3953 10.763 8.98466 12.7938 13.3275 8.5421 7.96154 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 9.76497 5.38502 8.6232 13.1141 5.89271 9.50179 14.2035 12.5522 8.82295 8.62855 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.63813 8.65163 5.73235 10.5228 5.22567 7.02854 15.9937 10.9974 8.50377 7.71596 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 9.69413 7.89197 9.06641 8.48921 5.12529 6.6146 5.22926 7.94379 6.3566 8.6308 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 6.25968 10.9848 9.88178 11.2782 6.01484 7.85526 5.58691 6.00896 5.57607 7.94564 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 6.25968 10.9848 9.88178 14.045 10.6104 5.33543 5.58691 6.00896 5.57607 9.21999 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 9.16949 5.14081 7.60956 9.83976 4.8476 8.05043 6.09043 6.55217 5.00766 9.74209 numMergedOcc 0
7 mol 140 unq 1 iso 0 dist 8.65294 5.14081 9.9171 9.83976 8.53976 8.05043 6.09043 7.21686 5.00766 9.74209 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 6.23903 7.14992 8.97652 10.9979 9.01399 7.69421 5.24086 9.84649 4.92164 9.82833 numMergedOcc 0
9 mol 183 unq 1 iso 0 dist 8.22495 10.0544 8.29364 13.5932 6.39127 7.69421 13.0499 11.5589 4.92164 9.82833 numMergedOcc 0
10 mol 183 unq 2 iso 0 dist 8.39603 10.0544 8.97652 13.5932 9.01399 7.69421 13.0499 9.84649 4.92164 9.82833 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 8.27545 4.2039 6.2016 7.74423 5.21255 7.30965 5.31675 5.83093 6.16078 7.72242 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.85507 5.58779 6.50756 13.1413 8.34243 7.57716 9.87383 12.052 7.52634 9.41713 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.77267 4.43495 7.58554 10.0379 5.94643 9.59937 11.0259 7.10828 8.46058 8.01565 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 10.6825 10.8957 6.08181 14.6732 18.7825 11.1086 9.26487 numMergedOcc 0
15 mol 258 unq 1 iso 0 dist 7.87577 4.69752 8.10903 8.8726 5.27718 7.70189 5.06393 8.73425 5.79358 6.59521 numMergedOcc 0
16 mol 258 unq 2 iso 0 dist 5.86702 4.69752 7.25618 10.6825 11.0025 6.08181 14.6732 17.1978 11.1086 9.26487 numMergedOcc 0
17 mol 258 unq 3 iso 0 dist 5.86702 4.69752 7.25618 8.8726 9.46467 7.70189 5.06393 9.65711 5.79358 6.59521 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.95153 7.77559 9.34051 11.9894 10.3702 6.12202 12.4136 14.7727 5.64335 7.59956 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 8.95153 7.77559 9.34051 11.9894 10.3702 6.12202 19.9217 17.417 13.0534 8.05503 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 8.95153 7.77559 9.34051 11.9894 10.3702 6.12202 15.9289 11.7974 9.24343 5.59151 numMergedOcc 0
