0 mol 26 unq 0 iso 0 dist 5.497 13.1887 8.35396 14.3325 9.5053 9.12812 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.62637 8.97644 5.2315 7.91752 9.32898 10.7333 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 6.01423 5.20813 5.2315 5.73902 9.32898 10.7333 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.10446 6.23984 9.69315 7.64686 8.39326 12.9678 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.10446 6.23984 9.69315 7.59218 6.33741 11.2643 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.10446 12.2163 8.96327 7.64686 8.39326 13.9739 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.10446 12.2163 8.96327 7.59218 6.33741 5.47207 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 7.09065 4.07616 9.18792 10.2428 9.5669 7.82866 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 5.03173 7.11735 6.21457 6.14305 7.09806 6.08999 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.83981 9.35355 5.32751 8.36453 9.35942 11.064 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.83981 9.35355 5.32751 17.1979 7.42482 10.1476 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 6.13559 5.27716 5.32751 6.22315 9.35942 11.064 numMergedOcc 0
12 mol 114 unq 3 iso 0 dist 6.13559 5.27716 5.32751 13.0539 7.42482 10.1476 numMergedOcc 0
13 mol 114 unq 4 iso 0 dist 6.51395 9.60224 5.32751 6.18257 9.35942 11.064 numMergedOcc 0
14 mol 114 unq 5 iso 0 dist 6.51395 9.60224 5.32751 10.4498 7.42482 10.1476 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 7.35992 7.09209 9.28045 7.50935 8.79367 12.6546 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 6.49383 5.82334 9.28045 12.4955 8.79367 12.6546 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 4.25566 4.80602 7.90709 11.1956 9.78667 14.5524 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 4.25566 4.80602 7.90709 9.65952 8.47026 14.0071 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 6.63171 11.039 7.90709 14.6024 9.78667 14.5524 numMergedOcc 0
20 mol 141 unq 3 iso 0 dist 6.63171 11.039 7.90709 11.3036 8.47026 14.0071 numMergedOcc 0
21 mol 141 unq 4 iso 0 dist 7.67273 11.4956 7.90709 11.2383 9.78667 14.5524 numMergedOcc 0
22 mol 141 unq 5 iso 0 dist 7.67273 11.4956 7.90709 7.19116 8.47026 14.0071 numMergedOcc 0
23 mol 141 unq 6 iso 0 dist 7.31037 4.80602 9.03842 11.1956 6.73983 14.5524 numMergedOcc 0
24 mol 141 unq 7 iso 0 dist 7.31037 4.80602 9.03842 9.65952 8.6387 14.0071 numMergedOcc 0
25 mol 237 unq 0 iso 0 dist 9.27395 12.5901 7.3216 7.48464 9.54499 9.59218 numMergedOcc 0
26 mol 237 unq 1 iso 0 dist 9.27395 12.5901 7.3216 8.97735 5.6703 4.83024 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 8.60481 7.26726 8.48733 5.04668 9.43042 8.5968 numMergedOcc 0
