0 mol 14 unq 0 iso 0 dist 8.74842 8.73962 5.00474 8.64855 12.647 9.18111 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.20998 6.01552 3.60123 5.50504 8.2572 4.90701 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.28709 9.2794 9.10017 6.77833 6.95018 5.51579 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 7.98923 7.81363 12.4809 8.01724 9.41429 9.47607 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 5.99463 9.35364 5.17317 7.90775 10.7626 15.7022 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 5.99463 9.35364 5.17317 8.49531 4.6558 3.96825 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.19835 5.93206 5.28557 9.23803 7.56278 4.93112 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 8.19835 5.93206 5.28557 8.05028 9.56292 4.48038 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 8.19835 7.73529 9.66892 9.23803 7.56278 10.5733 numMergedOcc 0
9 mol 109 unq 3 iso 0 dist 8.19835 7.73529 9.66892 8.05028 9.56292 4.76017 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.12598 8.3907 8.66482 8.47907 11.4252 4.42285 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.86332 5.63173 4.77272 8.95433 8.27211 5.36939 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.17599 8.49649 13.5421 8.31276 10.1166 15.5462 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.17599 8.49649 13.5421 5.79157 7.18189 6.36794 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.17599 8.49649 13.5421 5.50687 12.935 5.73965 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 9.17599 8.49649 13.5421 7.30919 10.3773 11.0638 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 8.78704 8.49649 9.3059 8.31276 15.4311 15.5462 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 8.78704 8.49649 9.3059 5.79157 5.87684 6.36794 numMergedOcc 0
18 mol 134 unq 6 iso 0 dist 8.78704 8.49649 9.3059 5.50687 8.05964 5.73965 numMergedOcc 0
19 mol 134 unq 7 iso 0 dist 8.78704 8.49649 9.3059 7.30919 5.11977 11.0638 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 5.7126 9.08229 13.3242 7.9895 5.08837 12.473 numMergedOcc 0
21 mol 167 unq 1 iso 0 dist 5.7126 9.08229 13.3242 6.53913 9.26656 5.48405 numMergedOcc 0
22 mol 167 unq 2 iso 0 dist 5.7126 7.99057 10.1682 7.9895 5.08837 8.28846 numMergedOcc 0
23 mol 167 unq 3 iso 0 dist 5.7126 7.99057 10.1682 6.53913 9.26656 10.8859 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 9.63715 8.72253 7.76882 7.24099 6.33907 4.04545 numMergedOcc 0
25 mol 196 unq 0 iso 0 dist 8.24466 6.28071 4.73252 9.36732 7.08535 9.8977 numMergedOcc 0
26 mol 196 unq 1 iso 0 dist 8.24466 6.28071 4.73252 9.79271 8.25647 4.59462 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 8.2748 8.4908 8.43114 7.40475 6.21372 11.014 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 9.03526 8.79625 17.6708 9.91518 11.4295 13.5373 numMergedOcc 0
29 mol 278 unq 1 iso 0 dist 9.03526 9.9609 4.91961 9.91518 11.4295 11.4765 numMergedOcc 0
30 mol 278 unq 2 iso 0 dist 8.03252 8.79625 13.4866 9.91518 17.5675 13.5373 numMergedOcc 0
31 mol 278 unq 3 iso 0 dist 8.03252 9.9609 12.3196 9.91518 17.5675 11.4765 numMergedOcc 0
