0 mol 20 unq 0 iso 0 dist 9.41097 4.95443 6.26206 10.6078 3.59314 7.5517 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 9.34193 11.7103 4.65127 12.6126 3.99942 6.46718 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.22331 5.44629 5.53589 9.07614 3.23074 4.92457 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.53327 6.28525 7.62738 10.1296 12.1293 8.59337 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.53327 6.28525 7.62738 11.0617 15.0139 7.66942 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.71873 5.9876 7.62738 13.6889 12.1293 8.59337 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.71873 5.9876 7.62738 10.1289 15.0139 7.66942 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 5.79841 13.3069 8.70863 14.7341 11.5785 5.72961 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.10677 5.70461 6.76575 13.2944 4.8632 9.67274 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 7.78223 11.0397 7.42482 9.00059 3.67473 6.4569 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.35385 12.6656 6.73983 9.80185 3.80763 8.88454 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 7.35385 14.7644 8.6387 9.80185 3.80763 9.48581 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 8.35864 12.6656 7.64956 9.80185 9.98068 8.88454 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.62138 10.149 5.06613 11.4253 5.83776 5.42715 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.62138 10.149 5.06613 12.4377 11.2086 9.70575 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 5.11444 5.77969 5.06613 8.78397 5.83776 5.42715 numMergedOcc 0
16 mol 152 unq 3 iso 0 dist 5.11444 5.77969 5.06613 12.3356 11.2086 9.70575 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 8.62413 5.16577 7.14263 13.3216 6.17752 9.56342 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 9.57242 13.5919 9.79069 12.3014 6.5925 7.69757 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 6.53696 10.9098 5.60528 11.2556 6.03236 6.90373 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.53805 8.99916 5.45675 7.005 5.39534 8.46395 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 5.68253 4.7189 6.00582 8.33309 3.64991 6.58003 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 5.62039 5.91026 5.06628 14.6327 12.5736 8.96803 numMergedOcc 0
23 mol 237 unq 1 iso 0 dist 5.62039 5.91026 5.06628 5.12878 3.68966 7.95072 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 9.6479 12.0513 8.15091 12.9579 10.4961 9.86765 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 9.6479 12.0513 8.15091 9.137 5.68255 6.3738 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 5.92532 8.7465 7.85414 9.48076 12.1127 8.78893 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.55366 7.23731 8.81717 11.7725 11.6159 4.61089 numMergedOcc 0
