0 mol 79 unq 0 iso 0 dist 7.11013 12.6241 9.63599 6.9297 6.49291 9.78384 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 7.11013 12.6241 9.63599 17.7405 11.51 8.87742 numMergedOcc 0
2 mol 79 unq 2 iso 0 dist 7.11013 12.6241 9.63599 12.8253 7.82761 4.93468 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 5.99046 13.3263 9.66222 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.20639 5.6019 6.95465 14.1143 8.71385 9.60622 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.20639 5.6019 6.95465 12.5969 5.54732 9.91054 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.29144 10.9396 6.51395 11.4982 4.41568 8.42878 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.70951 14.2606 7.26955 13.5468 4.48922 7.20249 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 5.89919 5.41268 7.75012 8.15593 3.98036 7.48321 numMergedOcc 0
9 mol 128 unq 1 iso 0 dist 8.04178 6.78058 7.75012 10.2851 3.98036 7.48321 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 7.08808 5.57422 7.30946 10.5981 8.79853 8.21184 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 7.08808 5.57422 7.30946 6.29351 5.69209 5.41575 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.22583 6.15536 5.97685 5.87853 11.2039 7.22883 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 6.62037 4.19412 5.97685 11.0559 11.2039 7.22883 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 6.21461 4.19412 8.9289 11.0559 15.9559 7.22883 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 7.8126 6.27651 6.54825 12.6552 7.96337 6.94789 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.58887 14.4465 6.62002 11.4496 4.38002 5.92374 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.7235 4.4151 5.97993 11.5493 7.73342 9.70149 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 5.88787 4.40079 5.40318 11.2525 6.88401 8.984 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.28273 6.33919 9.71152 10.358 9.15303 7.00243 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 6.71956 4.91325 5.81266 6.70662 4.51983 5.92274 numMergedOcc 0
21 mol 271 unq 1 iso 0 dist 7.2452 4.22972 5.81266 8.94363 4.51983 5.92274 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 7.10608 6.58462 5.80452 10.7191 4.12456 6.73712 numMergedOcc 0
23 mol 280 unq 1 iso 0 dist 7.10608 6.58462 5.80452 12.3922 10.4684 9.35704 numMergedOcc 0
24 mol 280 unq 2 iso 0 dist 7.22993 6.58462 7.82157 10.7191 9.56032 6.73712 numMergedOcc 0
25 mol 280 unq 3 iso 0 dist 7.22993 6.58462 7.82157 12.3922 6.37191 9.35704 numMergedOcc 0
