0 mol 6 unq 0 iso 0 dist 9.90644 7.76205 6.01633 13.4333 14.7476 9.07564 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.79578 6.6367 5.15508 7.72003 6.94712 9.41463 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.53862 7.51631 15.0083 4.60844 13.5943 8.19932 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 6.88001 4.9983 11.023 3.62638 6.09085 5.64092 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 6.88001 7.51631 10.2302 4.60844 11.4476 8.19932 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.30739 5.38363 11.2122 5.29207 7.40698 9.08745 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 8.35292 8.86253 5.00416 4.40298 8.63204 7.99194 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 8.35292 8.86253 5.00416 5.42458 5.4014 7.80313 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 7.9945 8.86253 4.00828 4.40298 9.19079 7.99194 numMergedOcc 0
9 mol 70 unq 3 iso 0 dist 7.9945 8.86253 4.00828 5.42458 8.37742 7.80313 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39344 5.98764 4.05022 5.42116 5.91019 4.27766 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 7.61296 6.36631 5.70681 13.8532 12.4669 8.67025 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 7.61296 6.24308 5.08157 11.2557 14.6461 9.60127 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 6.84563 8.78269 5.90637 7.98077 11.6773 8.65807 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 9.17931 7.07933 5.88521 6.43144 13.0339 9.06172 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 9.17931 7.07933 5.88521 6.37039 11.3466 8.93091 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.56851 8.47283 13.952 5.10199 12.6707 7.98864 numMergedOcc 0
17 mol 207 unq 0 iso 0 dist 7.71388 9.064 10.4268 7.22657 13.3016 7.30153 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.67898 7.93054 13.7837 5.055 12.3608 7.66702 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 9.32657 8.81424 15.3903 5.30128 9.54673 8.74463 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 5.28576 7.4717 4.94939 3.70516 8.34875 9.07313 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 7.2692 6.26593 5.80008 10.6477 10.3051 9.87744 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 6.5477 6.26593 8.24367 10.6477 16.2806 9.87744 numMergedOcc 0
