0 mol 11 unq 0 iso 0 dist 5.8689 5.56531 4.13124 6.82612 6.27964 9.4295 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.02004 9.90731 9.41295 10.2386 6.35042 13.6927 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.77714 6.77802 6.38985 10.6687 6.46118 11.5898 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.46118 9.48328 9.12054 10.6687 7.77714 16.4592 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.50646 9.57292 4.4417 5.11838 6.89262 11.1641 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.51587 8.39335 8.43579 10.6185 9.04246 10.0726 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.04246 9.06839 6.65469 10.6185 9.51587 14.6886 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 7.67702 7.59747 7.32685 4.50939 7.1891 10.725 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.97262 5.86693 6.97119 7.00937 5.82588 10.0082 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 7.97262 5.86693 6.97119 7.37173 9.90846 12.1956 numMergedOcc 0
10 mol 233 unq 0 iso 0 dist 9.99681 6.45095 12.9722 4.36175 9.89626 10.7337 numMergedOcc 0
11 mol 257 unq 0 iso 0 dist 8.42116 9.79593 7.56859 4.45719 8.53984 12.8531 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 6.55208 9.2684 10.1478 4.34107 7.17562 11.1756 numMergedOcc 0
13 mol 284 unq 0 iso 0 dist 8.45487 5.2862 4.93279 4.24841 8.72299 5.31097 numMergedOcc 0
14 mol 284 unq 1 iso 0 dist 8.72299 5.31097 4.93279 4.24841 8.45487 5.2862 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 4.28058 8.4625 7.24849 7.42275 9.59064 12.9101 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 4.28058 8.4625 7.24849 7.42275 9.59064 12.9101 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 4.28058 8.4625 7.24849 7.42275 9.59064 12.9101 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 7.71392 8.81999 12.2834 5.89 6.6112 13.4825 numMergedOcc 0
19 mol 294 unq 1 iso 0 dist 7.71392 4.83062 9.89492 5.89 6.6112 8.65363 numMergedOcc 0
20 mol 294 unq 2 iso 0 dist 7.71392 5.18334 5.71856 5.89 6.6112 6.44588 numMergedOcc 0
21 mol 294 unq 3 iso 0 dist 6.6112 8.65363 9.89492 5.89 7.71392 4.83062 numMergedOcc 0
22 mol 294 unq 4 iso 0 dist 6.6112 6.44588 5.71856 5.89 7.71392 5.18334 numMergedOcc 0
23 mol 294 unq 5 iso 0 dist 5.02677 8.81999 5.33113 5.89 8.34193 13.4825 numMergedOcc 0
24 mol 294 unq 6 iso 0 dist 5.02677 4.83062 9.32362 5.89 8.34193 8.65363 numMergedOcc 0
25 mol 294 unq 7 iso 0 dist 5.02677 5.18334 8.52592 5.89 8.34193 6.44588 numMergedOcc 0
26 mol 294 unq 8 iso 0 dist 8.34193 8.65363 9.32362 5.89 5.02677 4.83062 numMergedOcc 0
27 mol 294 unq 9 iso 0 dist 8.34193 6.44588 8.52592 5.89 5.02677 5.18334 numMergedOcc 0
28 mol 294 unq 10 iso 0 dist 7.6859 8.81999 15.8342 5.89 8.35722 13.4825 numMergedOcc 0
29 mol 294 unq 11 iso 0 dist 7.6859 4.83062 4.45227 5.89 8.35722 8.65363 numMergedOcc 0
30 mol 294 unq 12 iso 0 dist 7.6859 5.18334 4.99494 5.89 8.35722 6.44588 numMergedOcc 0
31 mol 294 unq 13 iso 0 dist 8.35722 8.65363 4.45227 5.89 7.6859 4.83062 numMergedOcc 0
32 mol 294 unq 14 iso 0 dist 8.35722 6.44588 4.99494 5.89 7.6859 5.18334 numMergedOcc 0
