0 mol 28 unq 0 iso 0 dist 9.56722 7.04267 8.79638 7.08646 8.47637 12.1817 10.8301 8.53424 5.61871 13.6544 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.56722 7.04267 8.79638 7.08646 8.47637 12.1817 10.0008 7.08766 7.3517 11.0902 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.56722 7.04267 8.79638 7.08646 8.47637 12.1817 7.55139 4.82199 6.13016 8.59089 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.56722 5.48811 6.42785 7.08646 8.47637 4.80296 10.8301 8.53424 9.02992 13.6544 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.56722 5.48811 6.42785 7.08646 8.47637 4.80296 10.0008 7.08766 6.51048 11.0902 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.56722 5.48811 6.42785 7.08646 8.47637 4.80296 7.55139 4.82199 4.18951 8.59089 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 9.56722 9.52052 5.75809 7.08646 8.47637 7.20041 10.8301 8.53424 13.5265 13.6544 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 9.56722 9.52052 5.75809 7.08646 8.47637 7.20041 10.0008 7.08766 12.1819 11.0902 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 9.56722 9.52052 5.75809 7.08646 8.47637 7.20041 7.55139 4.82199 9.28235 8.59089 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.27814 11.0215 6.2753 7.18472 7.67463 6.76125 11.9486 4.18248 4.24482 7.59896 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 6.33923 9.73916 8.69371 9.12385 6.34004 9.37246 3.83194 4.91212 9.05868 5.39108 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 6.33923 9.73916 8.69371 9.12385 6.34004 9.37246 5.56913 9.34782 9.16288 13.201 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 6.98134 6.15779 7.70636 8.18719 7.39112 8.27424 4.26914 6.55227 4.13866 4.89202 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 6.98134 9.13854 6.82267 8.18719 7.39112 13.183 4.26914 6.55227 10.1108 4.89202 numMergedOcc 0
14 mol 116 unq 2 iso 0 dist 8.55413 8.68996 7.70636 13.5312 7.39112 8.27424 9.53399 6.55227 4.13866 4.89202 numMergedOcc 0
15 mol 116 unq 3 iso 0 dist 8.55413 5.50076 6.82267 13.5312 7.39112 13.183 9.53399 6.55227 10.1108 4.89202 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.14978 7.47861 4.93944 15.8234 8.56285 12.9884 9.809 4.88514 4.49266 11.8161 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 4.42095 7.59741 7.31316 10.9163 8.93352 16.0694 3.83542 5.18325 9.00349 11.2435 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 4.42095 7.59741 7.31316 10.9163 8.93352 16.0694 4.02402 4.68722 3.64489 13.336 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 4.42095 12.4055 8.9865 10.9163 8.93352 6.34292 3.83542 5.18325 11.1547 11.2435 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 4.42095 12.4055 8.9865 10.9163 8.93352 6.34292 4.02402 4.68722 13.481 13.336 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 4.63898 11.577 7.31316 6.28634 8.93352 16.0694 8.31549 4.68722 3.64489 13.336 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 4.63898 11.577 7.31316 6.28634 8.93352 16.0694 4.98625 5.18325 9.00349 11.2435 numMergedOcc 0
23 mol 194 unq 6 iso 0 dist 4.63898 7.3101 8.9865 6.28634 8.93352 6.34292 8.31549 4.68722 13.481 13.336 numMergedOcc 0
24 mol 194 unq 7 iso 0 dist 4.63898 7.3101 8.9865 6.28634 8.93352 6.34292 4.98625 5.18325 11.1547 11.2435 numMergedOcc 0
25 mol 194 unq 8 iso 0 dist 9.53641 7.22039 7.31316 17.7577 8.93352 16.0694 7.40457 4.68722 3.64489 13.336 numMergedOcc 0
26 mol 194 unq 9 iso 0 dist 9.53641 7.22039 7.31316 17.7577 8.93352 16.0694 8.48051 5.18325 9.00349 11.2435 numMergedOcc 0
27 mol 194 unq 10 iso 0 dist 9.53641 15.217 8.9865 17.7577 8.93352 6.34292 7.40457 4.68722 13.481 13.336 numMergedOcc 0
28 mol 194 unq 11 iso 0 dist 9.53641 15.217 8.9865 17.7577 8.93352 6.34292 8.48051 5.18325 11.1547 11.2435 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 9.82274 10.9203 9.33601 14.2357 9.90494 8.33215 4.3196 7.31132 11.6748 12.6476 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 9.82274 10.9203 9.33601 7.50757 5.90121 12.8409 4.3196 7.31132 11.6748 3.31521 numMergedOcc 0
31 mol 283 unq 2 iso 0 dist 7.17276 5.72409 9.33601 8.40497 9.90494 8.33215 6.30031 7.31132 11.6748 12.6476 numMergedOcc 0
32 mol 283 unq 3 iso 0 dist 7.17276 5.72409 9.33601 8.03948 5.90121 12.8409 6.30031 7.31132 11.6748 3.31521 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.76761 9.97939 10.577 9.84883 4.68668 10.326 7.67746 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.76761 9.97939 10.577 9.84883 4.68668 10.326 7.67746 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.76761 9.97939 10.577 9.84883 4.68668 10.326 7.67746 numMergedOcc 0
