0 mol 1 unq 0 iso 0 dist 7.68779 4.86523 6.86701 9.19543 6.13271 9.40771 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.68779 4.86523 6.86701 12.836 9.02078 8.7275 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 8.89514 4.11658 6.53308 10.6375 6.529 9.55954 numMergedOcc 0
3 mol 89 unq 1 iso 0 dist 8.89514 10.0938 7.47974 10.6375 6.529 7.06277 numMergedOcc 0
4 mol 89 unq 2 iso 0 dist 9.51842 8.74594 6.53308 12.1449 6.529 9.55954 numMergedOcc 0
5 mol 89 unq 3 iso 0 dist 9.51842 5.87704 7.47974 12.1449 6.529 7.06277 numMergedOcc 0
6 mol 89 unq 4 iso 0 dist 8.25651 5.87704 5.51831 12.1449 8.3977 7.06277 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.22406 4.57682 9.36001 13.506 14.8146 9.61144 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.09688 9.06539 5.35782 7.3098 5.06206 8.29463 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.26343 14.1132 5.35782 9.90038 5.06206 8.29463 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.41387 5.63489 6.10127 10.6514 5.17524 5.20001 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 4.93035 6.48796 8.07097 10.4689 10.5394 4.54218 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 4.93035 6.48796 8.07097 13.0546 11.2797 8.36316 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 6.01118 5.23156 7.06025 5.79795 6.96904 5.4647 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.63906 7.80781 7.2793 14.3048 11.3614 8.28282 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 5.63906 5.12552 7.85184 8.46429 7.37734 7.81696 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 15.8493 9.73282 9.67667 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.06306 4.44853 7.94911 5.08722 5.69131 5.81317 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.14277 9.34147 7.48954 17.4886 13.3218 8.79662 numMergedOcc 0
