0 mol 28 unq 0 iso 0 dist 9.56722 7.04267 8.79638 10.8301 8.53424 5.61871 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.56722 7.04267 8.79638 10.0008 7.08766 7.3517 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.56722 7.04267 8.79638 7.55139 4.82199 6.13016 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.56722 5.48811 6.42785 10.8301 8.53424 9.02992 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.56722 5.48811 6.42785 10.0008 7.08766 6.51048 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.56722 5.48811 6.42785 7.55139 4.82199 4.18951 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 9.56722 9.52052 5.75809 10.8301 8.53424 13.5265 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 9.56722 9.52052 5.75809 10.0008 7.08766 12.1819 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 9.56722 9.52052 5.75809 7.55139 4.82199 9.28235 numMergedOcc 0
9 mol 46 unq 0 iso 0 dist 5.81662 6.92267 8.99393 3.8412 3.77542 6.95897 numMergedOcc 0
10 mol 46 unq 1 iso 0 dist 5.81662 6.92267 8.99393 6.17831 9.97314 12.41 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.07283 11.6226 7.32699 5.7037 9.05737 9.58381 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 9.07283 6.87877 6.45933 5.7037 9.05737 7.61744 numMergedOcc 0
13 mol 63 unq 0 iso 0 dist 9.56838 14.1956 9.18651 11.1855 9.13228 7.17611 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.27814 11.0215 6.2753 11.9486 4.18248 4.24482 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 6.77993 5.22926 8.96446 3.79142 5.24346 4.28396 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 6.33923 9.73916 8.69371 3.83194 4.91212 9.05868 numMergedOcc 0
17 mol 111 unq 1 iso 0 dist 6.33923 9.73916 8.69371 5.56913 9.34782 9.16288 numMergedOcc 0
18 mol 116 unq 0 iso 0 dist 6.98134 6.15779 7.70636 4.26914 6.55227 4.13866 numMergedOcc 0
19 mol 116 unq 1 iso 0 dist 6.98134 9.13854 6.82267 4.26914 6.55227 10.1108 numMergedOcc 0
20 mol 116 unq 2 iso 0 dist 8.55413 8.68996 7.70636 9.53399 6.55227 4.13866 numMergedOcc 0
21 mol 116 unq 3 iso 0 dist 8.55413 5.50076 6.82267 9.53399 6.55227 10.1108 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.14978 7.47861 4.93944 9.809 4.88514 4.49266 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 7.53591 4.27597 7.43045 4.40012 5.60448 5.76787 numMergedOcc 0
24 mol 141 unq 2 iso 0 dist 8.34503 6.0848 7.43045 3.48408 5.60448 5.76787 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 4.55528 7.59741 7.26295 4.02402 5.10542 3.64489 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 4.42095 7.59741 7.31316 3.83542 5.18325 9.00349 numMergedOcc 0
27 mol 194 unq 2 iso 0 dist 4.42095 7.59741 7.31316 4.02402 4.68722 3.64489 numMergedOcc 0
28 mol 194 unq 3 iso 0 dist 4.42095 12.4055 8.9865 3.83542 5.18325 11.1547 numMergedOcc 0
29 mol 194 unq 4 iso 0 dist 4.42095 12.4055 8.9865 4.02402 4.68722 13.481 numMergedOcc 0
30 mol 194 unq 5 iso 0 dist 6.88386 11.577 7.26295 8.31549 5.10542 3.64489 numMergedOcc 0
31 mol 194 unq 6 iso 0 dist 4.63898 11.577 7.31316 8.31549 4.68722 3.64489 numMergedOcc 0
32 mol 194 unq 7 iso 0 dist 4.63898 11.577 7.31316 4.98625 5.18325 9.00349 numMergedOcc 0
33 mol 194 unq 8 iso 0 dist 4.63898 7.3101 8.9865 8.31549 4.68722 13.481 numMergedOcc 0
34 mol 194 unq 9 iso 0 dist 4.63898 7.3101 8.9865 4.98625 5.18325 11.1547 numMergedOcc 0
35 mol 194 unq 10 iso 0 dist 9.53641 7.22039 7.31316 7.40457 4.68722 3.64489 numMergedOcc 0
36 mol 194 unq 11 iso 0 dist 9.53641 7.22039 7.31316 8.48051 5.18325 9.00349 numMergedOcc 0
37 mol 194 unq 12 iso 0 dist 9.53641 15.217 8.9865 7.40457 4.68722 13.481 numMergedOcc 0
38 mol 194 unq 13 iso 0 dist 9.53641 15.217 8.9865 8.48051 5.18325 11.1547 numMergedOcc 0
39 mol 233 unq 0 iso 0 dist 8.7499 5.21669 9.48261 5.97893 9.80479 4.35945 numMergedOcc 0
40 mol 243 unq 0 iso 0 dist 7.39884 6.58738 7.6142 5.38511 4.55853 3.64536 numMergedOcc 0
41 mol 283 unq 0 iso 0 dist 9.82274 10.9203 9.33601 4.3196 7.31132 11.6748 numMergedOcc 0
42 mol 283 unq 1 iso 0 dist 7.17276 5.72409 9.33601 6.30031 7.31132 11.6748 numMergedOcc 0
43 mol 287 unq 0 iso 0 dist 8.4625 5.7177 9.57637 11.4589 4.68668 11.8739 numMergedOcc 0
44 mol 287 unq 1 iso 0 dist 9.14217 5.11604 7.29668 9.84883 4.68668 10.326 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 8.4625 5.7177 9.57637 11.4589 4.68668 11.8739 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 9.14217 5.11604 7.29668 9.84883 4.68668 10.326 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 8.4625 5.7177 9.57637 11.4589 4.68668 11.8739 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 9.14217 5.11604 7.29668 9.84883 4.68668 10.326 numMergedOcc 0
