0 mol 0 unq 0 iso 0 dist 6.3267 8.34244 6.0597 6.78129 5.75315 9.00092 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.29529 9.57198 4.45625 3.91075 9.71516 10.9352 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.2199 9.57198 6.0397 3.91075 9.81658 10.9352 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.48825 4.62858 7.14527 8.73368 7.11053 11.636 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.55901 8.90835 4.46241 4.22398 5.91068 6.88052 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.13782 7.21995 9.85038 4.51883 5.81001 10.1089 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 8.13782 9.62637 13.1805 4.51883 5.81001 13.3858 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.80108 8.71468 10.8421 10.7257 7.60018 12.6602 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.80108 8.71468 10.8421 11.0945 7.03126 10.4354 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 8.39249 9.83981 14.0577 4.81369 5.51885 13.8288 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 6.40036 7.70313 5.67953 5.78043 7.65255 11.7584 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 6.40036 7.52142 9.65908 5.65471 8.0168 10.2171 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.4218 6.93279 12.2578 5.58312 5.73203 7.83568 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.4218 6.93279 12.2578 9.61537 6.57379 12.0743 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 6.4218 6.21403 7.99114 11.3936 5.52149 12.8357 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.55681 5.52683 6.76437 6.37052 4.26972 7.58337 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 7.37901 9.80845 5.50045 4.48516 5.36254 9.16358 numMergedOcc 0
17 mol 155 unq 1 iso 0 dist 7.37901 7.55196 6.40403 4.48516 5.36254 9.24038 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 6.74517 9.19117 8.00091 4.01736 9.65629 8.81244 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 4.79852 5.4997 4.30489 9.433 9.76114 12.5993 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 4.79852 6.99693 4.57622 9.433 9.76114 13.162 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 5.89018 9.55606 8.92711 9.11693 5.3819 13.9469 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 5.89018 7.10526 7.34293 4.08137 8.66162 9.94968 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 4.55996 9.22384 6.09379 5.93269 5.73591 11.2424 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 4.55996 8.08737 6.99977 5.93269 5.73591 10.7847 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 8.75834 9.47117 17.6349 3.92979 8.91356 10.7064 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 8.75834 9.47117 17.6349 9.35263 9.57455 17.9814 numMergedOcc 0
27 mol 225 unq 2 iso 0 dist 7.51827 7.73748 6.16433 13.317 8.91356 11.432 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 7.51827 7.73748 6.16433 8.90754 9.57455 13.3688 numMergedOcc 0
29 mol 225 unq 4 iso 0 dist 9.36396 9.47117 5.25065 3.92979 9.59574 10.7064 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 8.49841 7.43663 7.17691 11.8229 9.11572 7.77911 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 9.6101 7.43663 4.51304 11.8229 7.20293 7.77911 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 5.32183 7.94068 4.51304 6.45373 7.20293 7.77911 numMergedOcc 0
33 mol 234 unq 3 iso 0 dist 5.32183 7.22019 6.56416 6.45373 7.20293 12.6164 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 6.03988 8.94909 6.6011 5.91806 9.66641 13.3341 numMergedOcc 0
35 mol 254 unq 1 iso 0 dist 6.03988 8.94909 6.6011 5.04088 9.26575 11.1806 numMergedOcc 0
36 mol 270 unq 0 iso 0 dist 9.16073 7.89388 6.0625 10.7047 9.04189 13.7637 numMergedOcc 0
37 mol 270 unq 1 iso 0 dist 8.39167 7.89388 5.91256 7.66392 9.51462 12.2945 numMergedOcc 0
38 mol 270 unq 2 iso 0 dist 8.39167 7.89388 5.91256 4.66212 8.12971 10.4282 numMergedOcc 0
