0 mol 20 unq 0 iso 0 dist 6.29237 9.74724 12.9564 7.3057 7.14069 16.7621 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.29237 9.13347 10.9428 7.3057 7.14069 15.4119 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.24286 9.74724 15.7788 7.3057 8.58641 16.7621 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.24286 9.13347 13.8245 7.3057 8.58641 15.4119 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.70016 7.18124 3.67206 12.6622 4.44526 7.8619 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.70016 7.18124 3.67206 7.63657 9.586 11.0098 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.70016 6.47026 8.93303 12.6622 4.44526 13.3176 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.70016 6.47026 8.93303 7.63657 9.586 12.496 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 5.13078 7.18124 11.1587 3.4435 5.80953 7.85986 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 5.13078 6.47026 8.72577 3.4435 5.80953 4.30252 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 4.90881 8.10168 5.75365 4.21221 4.5711 7.8619 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 6.15382 8.10168 3.67206 4.21221 4.44526 7.8619 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 6.15382 8.10168 3.67206 14.8922 9.586 11.0098 numMergedOcc 0
13 mol 68 unq 0 iso 0 dist 6.33905 8.32093 7.18877 13.6446 7.98985 14.2533 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 7.52245 6.48394 5.36604 11.7291 6.91169 12.1747 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 6.03035 8.46167 9.59189 8.69658 9.30645 7.40338 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 6.03035 6.13175 10.1118 8.69658 9.30645 10.4064 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 6.03035 4.34107 8.19901 8.69658 9.30645 11.5441 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 5.72277 7.74087 5.83178 11.7342 7.28318 7.02963 numMergedOcc 0
19 mol 135 unq 1 iso 0 dist 5.72277 7.74087 5.83178 10.0632 7.17599 10.0795 numMergedOcc 0
20 mol 135 unq 2 iso 0 dist 5.72277 8.53533 5.9306 11.7342 7.28318 12.1259 numMergedOcc 0
21 mol 135 unq 3 iso 0 dist 5.72277 8.53533 5.9306 10.0632 7.17599 12.5641 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 8.00791 7.30461 3.53123 12.7612 8.62102 10.538 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 4.56607 8.04472 8.57798 8.11291 7.81263 15.5228 numMergedOcc 0
24 mol 184 unq 1 iso 0 dist 4.56607 5.62851 3.74437 8.11291 7.81263 7.02762 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.61582 9.64977 3.60793 4.04186 9.45907 8.72743 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 5.39915 5.24631 3.41783 4.52218 9.03328 7.24614 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 9.24563 9.63062 11.5667 3.42696 9.23863 9.07881 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 5.96416 5.3772 3.04079 3.63667 7.95464 8.31526 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 5.96416 7.59138 6.41309 3.63667 7.95464 7.08328 numMergedOcc 0
