0 mol 5 unq 0 iso 0 dist 8.70824 4.42081 8.97274 3.67097 6.86923 3.14155 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.93404 4.42081 7.5815 3.67097 4.60775 3.14155 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 5.07106 5.22512 8.22628 3.82644 5.42426 5.11803 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 5.07106 8.93403 9.82819 3.82644 5.42426 5.27648 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 6.42569 9.3686 8.32902 11.3102 5.98867 6.92876 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 9.13872 8.49894 8.32902 12.71 5.98867 6.92876 numMergedOcc 0
6 mol 33 unq 2 iso 0 dist 7.27307 5.75951 8.32902 9.65713 5.98867 6.92876 numMergedOcc 0
7 mol 33 unq 3 iso 0 dist 5.73206 3.82391 8.32902 3.93232 5.98867 6.92876 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 6.51139 8.79418 6.35506 3.84207 7.16598 6.26697 numMergedOcc 0
9 mol 41 unq 1 iso 0 dist 6.51139 8.79418 6.35506 5.6133 7.42476 6.02154 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 9.04514 12.2639 8.8645 14.436 8.52681 4.88527 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 9.04514 12.2639 8.8645 12.7654 9.98769 5.56357 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 9.14072 12.5909 8.3491 12.884 9.40291 5.43784 numMergedOcc 0
13 mol 48 unq 3 iso 0 dist 9.14072 12.5909 8.3491 14.5015 7.94814 4.57947 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 9.14072 12.5909 8.3491 16.2483 9.55632 4.60843 numMergedOcc 0
15 mol 83 unq 0 iso 0 dist 6.77845 11.6894 7.93119 5.31562 5.13041 8.9239 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 6.77845 6.51558 5.25361 5.31562 5.13041 3.62753 numMergedOcc 0
17 mol 83 unq 2 iso 0 dist 5.48555 10.6214 7.93119 8.56578 5.13041 8.9239 numMergedOcc 0
18 mol 83 unq 3 iso 0 dist 5.48555 9.07479 5.25361 8.56578 5.13041 3.62753 numMergedOcc 0
19 mol 83 unq 4 iso 0 dist 5.39805 6.23042 7.93119 3.7497 5.13041 8.9239 numMergedOcc 0
20 mol 83 unq 5 iso 0 dist 5.39805 7.0157 5.25361 3.7497 5.13041 3.62753 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.79677 13.0649 8.40389 6.83136 5.87382 9.54913 numMergedOcc 0
22 mol 157 unq 0 iso 0 dist 8.78412 12.5289 6.07906 6.11737 9.46735 11.4303 numMergedOcc 0
23 mol 157 unq 1 iso 0 dist 8.78412 11.4935 8.72717 6.11737 9.46735 11.4251 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 8.80952 6.34731 7.68074 3.72916 7.76952 7.53461 numMergedOcc 0
25 mol 158 unq 1 iso 0 dist 8.80952 6.34731 7.68074 17.8569 9.98554 13.5303 numMergedOcc 0
26 mol 158 unq 2 iso 0 dist 8.80952 15.1374 9.1854 3.72916 7.76952 15.3696 numMergedOcc 0
27 mol 158 unq 3 iso 0 dist 8.80952 15.1374 9.1854 17.8569 9.98554 5.09517 numMergedOcc 0
28 mol 159 unq 0 iso 0 dist 7.52779 7.44399 9.45909 10.3725 8.61788 7.43333 numMergedOcc 0
29 mol 168 unq 0 iso 0 dist 5.60956 9.43003 8.18217 3.56227 5.64732 6.06538 numMergedOcc 0
30 mol 168 unq 1 iso 0 dist 5.60956 9.43003 8.18217 3.96437 5.52214 10.919 numMergedOcc 0
31 mol 168 unq 2 iso 0 dist 5.60956 9.43003 8.18217 6.15982 5.80055 13.0096 numMergedOcc 0
32 mol 168 unq 3 iso 0 dist 5.60956 9.43003 8.18217 5.33789 7.44481 14.104 numMergedOcc 0
33 mol 168 unq 4 iso 0 dist 5.60956 8.01699 5.51167 3.56227 5.64732 9.99868 numMergedOcc 0
34 mol 168 unq 5 iso 0 dist 5.60956 8.01699 5.51167 3.96437 5.52214 6.91388 numMergedOcc 0
35 mol 168 unq 6 iso 0 dist 5.60956 8.01699 5.51167 6.15982 5.80055 3.5168 numMergedOcc 0
36 mol 168 unq 7 iso 0 dist 5.60956 8.01699 5.51167 5.33789 7.44481 5.43054 numMergedOcc 0
37 mol 169 unq 0 iso 0 dist 6.09291 6.22697 7.06772 4.24401 6.27378 3.18152 numMergedOcc 0
38 mol 169 unq 1 iso 0 dist 9.76796 6.51773 7.06772 9.223 6.27378 3.18152 numMergedOcc 0
39 mol 169 unq 2 iso 0 dist 9.90583 7.82714 7.06772 9.35916 6.27378 3.18152 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 6.36789 9.03587 8.09915 12.2056 8.92335 12.7357 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 5.81277 11.8763 9.79826 3.83801 9.21286 15.4119 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 5.05912 6.10058 9.79826 9.4797 9.21286 15.4119 numMergedOcc 0
43 mol 205 unq 2 iso 0 dist 6.60429 3.50446 9.79826 13.314 9.21286 15.4119 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 8.12934 7.79226 7.03532 6.43635 8.06847 3.30455 numMergedOcc 0
45 mol 225 unq 0 iso 0 dist 6.97662 9.92088 8.69052 7.99586 6.35772 5.31124 numMergedOcc 0
46 mol 233 unq 0 iso 0 dist 7.20629 3.85716 8.93995 5.33407 9.8976 5.64458 numMergedOcc 0
47 mol 233 unq 1 iso 0 dist 7.20629 3.85716 8.93995 9.06901 7.97911 9.3215 numMergedOcc 0
48 mol 233 unq 2 iso 0 dist 9.44671 13.5179 8.93995 10.6613 9.8976 5.64458 numMergedOcc 0
49 mol 233 unq 3 iso 0 dist 9.44671 13.5179 8.93995 4.45501 7.97911 9.3215 numMergedOcc 0
50 mol 271 unq 0 iso 0 dist 6.96986 4.45954 9.86908 5.67979 9.97897 3.38326 numMergedOcc 0
