0 mol 0 unq 0 iso 0 dist 9.89568 4.80868 6.8892 9.8404 9.16606 7.16694 14.2889 11.4815 13.7584 9.94618 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.54999 6.81531 8.84944 6.66552 7.67459 11.3412 12.9244 8.75469 16.6791 8.58709 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.54999 10.5856 7.21995 6.66552 7.67459 5.88097 12.9244 8.75469 10.0917 8.58709 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.25196 6.39129 8.16246 5.05748 6.29755 10.4221 10.3665 12.1689 15.9025 6.10175 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.88159 6.39129 9.48823 5.05748 7.4038 10.4221 10.3665 11.8364 15.9025 6.10175 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.69413 7.89197 9.06641 5.22926 7.94379 6.3566 8.48921 5.12529 6.6146 8.6308 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.42064 9.45543 6.79959 11.3296 8.88401 10.503 13.0083 5.07523 11.1265 8.28948 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 8.45451 12.0208 7.18976 5.20968 8.03603 9.2094 5.69775 5.26643 10.619 5.61764 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.25968 10.9848 9.88178 5.50185 8.15734 15.6097 9.29989 6.69705 16.4276 6.4922 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.25968 10.9848 9.88178 5.58691 6.00896 5.57607 11.2782 6.01484 7.85526 7.94564 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.25968 10.9848 9.88178 5.58691 6.00896 5.57607 14.045 10.6104 5.33543 9.21999 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.16949 11.7651 9.13339 6.09043 6.55217 5.90456 9.83976 4.8476 12.7279 9.74209 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 9.16949 5.14081 7.60956 6.09043 6.55217 5.00766 9.83976 4.8476 8.05043 9.74209 numMergedOcc 0
13 mol 140 unq 2 iso 0 dist 8.65294 5.14081 9.9171 6.09043 7.21686 5.00766 9.83976 8.53976 8.05043 9.74209 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 6.3247 5.97193 4.44987 9.311 9.15159 11.8056 10.9842 7.9212 12.1211 5.94075 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 6.23903 7.14992 8.97652 5.24086 9.84649 4.92164 10.9979 9.01399 7.69421 9.82833 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 8.39603 10.0544 8.97652 13.0499 9.84649 4.92164 13.5932 9.01399 7.69421 9.82833 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 8.27545 4.2039 6.2016 5.31675 5.83093 6.16078 7.74423 5.21255 7.30965 7.72242 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.77267 4.20175 8.26312 11.0259 7.10828 13.8702 10.0379 5.94643 10.2589 8.01565 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 6.77267 4.43495 7.58554 11.0259 7.10828 8.46058 10.0379 5.94643 9.59937 8.01565 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 5.06393 8.73425 5.79358 8.8726 5.27718 7.70189 6.59521 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 5.86702 4.18036 8.70193 5.06393 9.65711 7.88062 8.8726 9.46467 12.9422 6.59521 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 5.86702 4.69752 7.25618 5.06393 9.65711 5.79358 8.8726 9.46467 7.70189 6.59521 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 8.19366 7.19125 4.75349 5.39628 6.47753 5.50235 14.7066 10.2905 11.697 9.61122 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 8.19366 7.19125 4.75349 7.203 9.69744 9.84433 14.7066 10.2905 11.697 9.95684 numMergedOcc 0
