0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 12.5174 6.09254 7.21217 13.63 12.3221 14.06 7.5298 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 12.5174 6.09254 7.21217 18.3196 11.9671 5.77391 8.94874 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 12.1682 5.45161 8.33883 13.7183 9.59856 11.958 8.46837 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 15.5461 10.7369 9.62468 24.3266 20.4711 18.7183 9.94756 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 9.22002 6.16737 6.65721 10.9902 5.4671 5.92705 10.3394 10.5531 7.15161 6.85094 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 7.52103 6.16737 6.72123 15.5461 11.5608 9.62468 24.3266 19.7171 18.7183 9.94756 numMergedOcc 0
6 mol 61 unq 3 iso 0 dist 7.52103 6.16737 6.72123 10.9902 10.1513 5.92705 10.3394 13.6393 7.15161 6.85094 numMergedOcc 0
7 mol 61 unq 4 iso 0 dist 8.46556 4.90701 6.72123 9.67403 11.5608 9.62468 16.6923 19.7171 18.7183 9.94756 numMergedOcc 0
8 mol 61 unq 5 iso 0 dist 8.46556 4.90701 6.72123 9.7314 10.1513 5.92705 9.89585 13.6393 7.15161 6.85094 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 5.58346 5.2774 6.89722 12.2435 8.124 13.4367 7.84699 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 5.58346 5.2774 6.89722 10.362 11.801 9.64124 7.53504 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.18305 4.69583 6.19304 9.10386 5.44275 7.26679 12.2435 8.124 13.4367 8.40844 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.18305 4.69583 6.19304 9.10386 5.44275 7.26679 14.2654 10.9082 10.3774 7.02351 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 6.18305 4.69583 6.19304 9.10386 5.44275 7.26679 10.362 11.801 9.64124 8.66342 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 5.22543 4.50603 6.57035 5.5199 5.16122 8.77773 5.2394 8.97911 9.11989 5.51185 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 18.0633 14.3476 7.70533 14.3226 11.6152 5.34484 5.24519 numMergedOcc 0
16 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 20.747 14.3476 7.70533 16.3405 11.6152 5.34484 5.24519 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 14.524 14.257 8.97145 10.1507 12.0117 5.29825 5.50364 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 10.9705 7.60371 6.5874 10.1507 12.0117 5.29825 8.7301 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 14.3452 14.2632 6.56437 10.7319 13.0296 5.25583 4.99301 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 15.284 15.0038 6.23882 10.7319 13.0296 5.25583 6.36813 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 8.39002 9.98893 8.95269 13.2856 5.63485 9.34636 11.1139 7.07564 11.8217 7.7163 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 8.39002 9.98893 8.95269 13.2856 5.63485 9.34636 14.6425 10.9817 11.9904 9.06201 numMergedOcc 0
23 mol 224 unq 4 iso 0 dist 8.39002 5.72088 6.57273 13.2856 5.63485 9.79616 11.1139 7.07564 10.8463 7.7163 numMergedOcc 0
24 mol 224 unq 5 iso 0 dist 8.39002 5.72088 6.57273 13.2856 5.63485 9.79616 14.6425 10.9817 13.0574 9.06201 numMergedOcc 0
25 mol 224 unq 6 iso 0 dist 8.39002 6.51315 5.78342 12.9091 4.8786 9.29703 11.1139 7.07564 5.44863 9.2 numMergedOcc 0
26 mol 224 unq 7 iso 0 dist 8.46129 5.72088 6.60589 13.2856 9.36962 9.79616 11.1139 12.0295 10.8463 7.7163 numMergedOcc 0
27 mol 224 unq 8 iso 0 dist 8.46129 5.72088 6.60589 13.2856 9.36962 9.79616 14.6425 15.8289 13.0574 9.06201 numMergedOcc 0
28 mol 224 unq 9 iso 0 dist 8.46129 6.51315 9.16166 12.9091 7.18448 9.29703 11.1139 12.0295 5.44863 9.2 numMergedOcc 0
29 mol 224 unq 10 iso 0 dist 9.2053 6.51315 5.81334 12.9091 6.38066 9.29703 11.1139 9.11052 5.44863 9.2 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.13537 10.3859 6.57393 18.6974 13.477 9.75174 15.5527 12.6391 6.53984 6.32593 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.06771 6.64729 8.13497 5.98006 5.71237 6.77279 7.8775 13.8844 12.4673 9.16791 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 5.98006 5.71237 9.58006 7.8775 13.8844 16.6792 9.16791 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 17.6082 11.8501 9.58006 20.6621 18.6945 16.6792 9.16791 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 15.4711 10.7962 9.696 9.39863 12.1604 6.04536 9.96645 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 9.71801 5.9882 7.56915 15.4711 10.7962 9.696 11.0656 12.2117 6.12463 9.2447 numMergedOcc 0
