0 mol 18 unq 0 iso 0 dist 8.2056 6.41856 7.37821 9.7728 12.7873 6.30737 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.2056 8.51213 4.25207 9.7728 12.7873 15.8027 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.92027 6.56664 4.47138 9.1926 12.8256 9.17877 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 7.92027 9.58156 10.9596 9.1926 12.8256 13.7909 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.64534 6.65465 13.2118 8.69452 3.97053 12.5975 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 7.09177 8.88997 4.73184 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 8.61597 14.4533 13.6379 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 9.2948 9.10877 13.6269 8.61597 3.24551 13.6379 numMergedOcc 0
8 mol 96 unq 0 iso 0 dist 7.57442 6.19867 10.1389 7.22615 11.4071 6.08084 numMergedOcc 0
9 mol 96 unq 1 iso 0 dist 8.73938 6.19867 3.94275 7.22615 5.76401 6.08084 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.36172 7.2461 6.16247 7.59747 6.88119 6.79448 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 8.36172 9.26333 5.92996 7.59747 6.88119 3.80114 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 5.3184 8.53451 4.78114 8.91908 4.74818 5.34214 numMergedOcc 0
13 mol 146 unq 1 iso 0 dist 5.3184 7.24965 5.44003 8.91908 4.74818 9.58921 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.70772 9.23551 10.5583 8.94352 10.5092 12.7148 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.93916 7.4653 8.95179 5.39386 12.7913 7.06219 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 8.93916 7.4653 8.95179 5.79819 11.3398 4.19634 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 8.93916 7.4653 8.95179 6.03024 6.78721 4.45407 numMergedOcc 0
18 mol 147 unq 4 iso 0 dist 8.93916 7.95564 11.4531 5.39386 12.7913 6.04074 numMergedOcc 0
19 mol 147 unq 5 iso 0 dist 8.93916 7.95564 11.4531 5.79819 11.3398 6.24579 numMergedOcc 0
20 mol 147 unq 6 iso 0 dist 8.93916 7.95564 11.4531 6.03024 6.78721 5.06602 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 9.31914 11.5164 7.53527 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 7.24832 3.59953 6.13927 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 5.93515 6.43406 4.3226 7.24832 9.61614 6.13927 numMergedOcc 0
24 mol 185 unq 0 iso 0 dist 7.5578 6.62848 6.14586 8.60009 3.15736 8.09496 numMergedOcc 0
25 mol 185 unq 1 iso 0 dist 6.06763 6.62848 4.53126 8.60009 5.80135 8.09496 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.92585 6.51823 10.7712 9.31268 15.7821 5.7648 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 8.73749 9.00498 7.46632 6.67548 4.95134 10.4585 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 8.73749 9.00498 7.46632 5.57579 4.79249 8.25406 numMergedOcc 0
