0 mol 26 unq 0 iso 0 dist 8.11402 11.4929 8.62693 7.89222 4.98603 9.27369 3.99573 8.82012 10.2609 6.46104 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.11402 11.4929 8.62693 7.89222 4.98603 9.27369 11.4986 10.9838 8.18809 7.36856 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 7.72334 4.66619 9.19658 5.80623 7.47886 7.42669 9.1735 12.4741 4.91484 9.52474 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 7.90154 10.6589 9.19658 7.24775 7.47886 7.42669 10.6901 12.4741 4.91484 9.52474 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 6.96665 7.90807 7.09641 5.39827 5.11693 6.94677 11.1921 13.141 8.42799 9.25641 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.87854 6.17994 9.47892 11.3141 4.48922 8.75431 15.5056 10.5042 10.7421 8.99399 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.1716 4.77272 8.9344 9.93823 6.27692 7.31633 8.27211 9.65709 5.36939 7.56378 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 6.3102 5.92269 8.07915 15.6114 16.3259 9.80819 14.7238 16.6325 9.27313 6.22055 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 6.3102 5.92269 8.07915 15.6114 16.3259 9.80819 17.7599 20.8635 12.8573 8.18085 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 6.25629 5.95123 7.97801 15.6194 16.2236 9.81665 14.7649 16.5696 9.25213 6.14675 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 6.25629 5.95123 7.97801 15.6194 16.2236 9.81665 17.7844 20.7181 12.8265 7.94889 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 5.30018 7.45055 7.63511 8.51408 4.4994 8.80931 11.0773 9.36654 5.90604 7.36683 numMergedOcc 0
12 mol 195 unq 1 iso 0 dist 5.30018 7.45055 7.63511 8.51408 4.4994 8.80931 4.95483 8.36117 8.97729 9.26504 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 9.69154 13.0921 6.74777 12.6268 4.59269 7.40027 17.1306 8.99696 5.29309 6.92924 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 9.69154 17.3782 9.62514 20.8188 11.1666 8.98598 17.1306 8.99696 4.57437 7.50013 numMergedOcc 0
15 mol 197 unq 2 iso 0 dist 9.69154 17.3782 9.62514 22.4137 13.3562 7.06689 17.1306 8.99696 4.57437 5.81233 numMergedOcc 0
16 mol 197 unq 3 iso 0 dist 9.69154 17.3782 9.62514 12.6268 4.59269 9.69601 17.1306 8.99696 4.57437 6.92924 numMergedOcc 0
17 mol 197 unq 4 iso 0 dist 9.49122 13.8252 6.74777 12.9732 4.59269 7.40027 15.7335 8.99696 5.29309 6.92924 numMergedOcc 0
18 mol 197 unq 5 iso 0 dist 9.49122 14.2846 9.62514 13.9825 11.1666 8.98598 15.7335 8.99696 4.57437 7.50013 numMergedOcc 0
19 mol 197 unq 6 iso 0 dist 9.49122 14.2846 9.62514 17.5235 13.3562 7.06689 15.7335 8.99696 4.57437 5.81233 numMergedOcc 0
20 mol 197 unq 7 iso 0 dist 9.49122 14.2846 9.62514 12.9732 4.59269 9.69601 15.7335 8.99696 4.57437 6.92924 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 8.7483 7.43933 9.61294 10.8751 16.1253 7.83422 7.86822 11.4727 9.60401 9.05071 numMergedOcc 0
