0 mol 7 unq 0 iso 0 dist 5.51421 4.60206 5.99972 4.7739 5.99459 6.12483 3.52338 7.78327 3.54153 7.00508 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 4.88613 4.37642 7.68678 4.99692 8.96727 5.66912 6.09663 7.17488 8.76454 10.5853 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 4.88613 4.37642 7.68678 3.70586 8.01308 5.76523 6.09663 7.17488 8.76454 5.11422 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.06168 4.53047 6.02816 13.9003 8.72682 13.952 15.6688 8.62079 12.0718 14.0236 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.06168 4.53047 6.02816 8.88868 6.45841 6.26495 15.6688 8.62079 12.0718 11.9118 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.06168 4.53047 6.02816 10.8798 5.61588 8.26195 15.6688 8.62079 12.0718 10.0644 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.06168 4.53047 6.02816 13.7267 7.83244 12.382 15.6688 8.62079 12.0718 12.1501 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.67532 7.05537 6.02816 17.2466 8.72682 13.952 8.22845 8.62079 12.0718 14.0236 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.67532 7.05537 6.02816 10.2047 6.45841 6.26495 8.22845 8.62079 12.0718 11.9118 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 8.67532 7.05537 6.02816 10.8441 5.61588 8.26195 8.22845 8.62079 12.0718 10.0644 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.67532 7.05537 6.02816 15.2203 7.83244 12.382 8.22845 8.62079 12.0718 12.1501 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 6.58793 3.88757 7.54568 6.97936 7.7068 4.93735 12.1387 8.04242 13.5973 11.1225 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 7.09333 8.80934 7.1951 5.96967 7.02367 5.40648 3.52445 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 8.89481 11.2266 8.8822 7.09333 8.80934 7.1951 7.52951 9.30832 15.5674 10.4701 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 8.89481 9.01097 9.66219 7.09333 8.80934 3.84573 5.96967 7.02367 3.52111 3.52445 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 8.89481 9.01097 9.66219 7.09333 8.80934 3.84573 7.52951 9.30832 13.7232 10.4701 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.78949 4.21285 8.88537 4.78332 6.00603 6.29388 6.80573 4.42563 8.90201 3.17342 numMergedOcc 0
17 mol 122 unq 1 iso 0 dist 6.78949 6.93382 9.23819 4.78332 6.00603 9.83972 6.80573 4.42563 11.3935 3.17342 numMergedOcc 0
18 mol 122 unq 2 iso 0 dist 9.40018 9.33734 8.88537 12.4857 6.00603 6.29388 12.9961 4.42563 8.90201 3.17342 numMergedOcc 0
19 mol 122 unq 3 iso 0 dist 9.40018 4.81033 9.23819 12.4857 6.00603 9.83972 12.9961 4.42563 11.3935 3.17342 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 9.60065 7.36975 12.207 9.81306 8.99891 14.3396 14.4074 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 8.30654 11.6678 7.78652 4.68518 5.40637 10.0079 9.81306 8.99891 14.3396 5.94217 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 8.30654 11.347 8.91301 9.60065 7.36975 14.7271 9.81306 8.99891 12.476 14.4074 numMergedOcc 0
23 mol 143 unq 3 iso 0 dist 8.30654 11.347 8.91301 4.68518 5.40637 9.05366 9.81306 8.99891 12.476 5.94217 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 17.3349 8.59874 6.39406 3.55808 9.70481 13.4378 18.0236 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.84952 6.78739 5.94469 7.19461 6.64173 4.98436 3.59953 8.29467 3.63671 5.09584 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 9.84952 6.78739 5.94469 9.77747 9.01624 11.9796 3.59953 8.29467 3.63671 11.4645 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 9.84952 6.78739 5.94469 10.0615 9.55105 12.3589 3.59953 8.29467 3.63671 11.5807 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 3.58901 7.41662 8.90504 8.15115 6.59544 9.10355 5.60873 numMergedOcc 0
29 mol 195 unq 1 iso 0 dist 7.63036 4.58275 6.95086 3.58901 7.41662 5.60628 8.15115 6.59544 9.70528 5.60873 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.20416 11.6878 7.07965 8.88312 7.20674 13.8094 3.64117 6.69619 8.31265 8.76061 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 9.20416 11.6878 7.07965 8.88312 7.20674 13.8094 7.30677 4.49592 5.06937 9.42231 numMergedOcc 0
32 mol 292 unq 2 iso 0 dist 9.20416 11.6878 7.07965 12.3704 8.38121 13.8468 3.64117 6.69619 8.31265 12.1704 numMergedOcc 0
33 mol 292 unq 3 iso 0 dist 9.20416 11.6878 7.07965 12.3704 8.38121 13.8468 7.30677 4.49592 5.06937 11.9106 numMergedOcc 0
34 mol 292 unq 4 iso 0 dist 7.53641 8.46139 7.07965 10.0594 7.20674 13.8094 6.97445 6.69619 8.31265 8.76061 numMergedOcc 0
35 mol 292 unq 5 iso 0 dist 7.53641 8.46139 7.07965 10.0594 7.20674 13.8094 5.33412 4.49592 5.06937 9.42231 numMergedOcc 0
36 mol 292 unq 6 iso 0 dist 7.53641 8.46139 7.07965 15.5666 8.38121 13.8468 6.97445 6.69619 8.31265 12.1704 numMergedOcc 0
37 mol 292 unq 7 iso 0 dist 7.53641 8.46139 7.07965 15.5666 8.38121 13.8468 5.33412 4.49592 5.06937 11.9106 numMergedOcc 0
