0 mol 18 unq 0 iso 0 dist 8.2056 8.51213 4.25207 5.34733 6.39307 5.65084 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 8.46463 16.8008 9.19165 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 11.0512 19.1453 6.66407 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.92027 6.56664 4.47138 5.68713 10.8449 9.69044 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.92027 9.58156 10.9596 5.68713 10.8449 6.9103 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 6.08756 7.99003 4.47138 6.72919 10.8449 9.69044 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.7385 7.63534 6.35022 10.4541 12.6276 9.85905 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.61468 9.45835 7.17843 7.18645 7.32064 6.85523 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 8.61468 9.45835 7.17843 12.613 5.85007 5.77326 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 6.27186 9.45835 4.4651 7.18645 4.62314 6.85523 numMergedOcc 0
10 mol 78 unq 3 iso 0 dist 6.27186 9.45835 4.4651 12.613 6.35234 5.77326 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.04935 7.79726 12.1055 3.89377 9.55191 9.76379 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 8.69068 5.45787 4.93762 5.45 12.4758 7.93045 numMergedOcc 0
13 mol 110 unq 0 iso 0 dist 8.36172 7.2461 6.16247 4.10689 11.7099 8.49678 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 7.05148 6.12348 8.80934 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 3.85674 9.5681 6.24825 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 7.99121 5.22628 6.59772 3.82475 9.47795 6.39384 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 6.30982 5.22628 4.86477 3.82475 9.29473 6.39384 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 6.12404 5.22628 5.24961 3.82475 8.42219 6.39384 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 5.3184 7.24965 5.44003 3.75935 6.93154 9.04757 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.45384 8.16369 4.94882 14.8867 12.6102 8.73533 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.38547 8.79626 10.504 9.92254 14.4755 5.1823 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 8.38547 8.79626 10.504 5.66713 10.9225 5.70635 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 13.9834 11.2893 9.3206 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 13.9834 14.0625 9.3206 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 9.04819 5.99137 14.6016 13.9834 22.2017 9.3206 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.84088 6.92721 9.86326 3.45727 7.63381 6.73665 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 5.13757 13.9131 9.07743 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 8.93002 6.20344 9.79538 10.4532 14.2921 9.63573 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 8.93002 6.20344 9.79538 5.13757 13.9131 7.66153 numMergedOcc 0
30 mol 267 unq 0 iso 0 dist 9.60447 6.19138 10.2663 6.43871 10.3741 7.34981 numMergedOcc 0
31 mol 270 unq 0 iso 0 dist 6.55866 7.05331 5.00269 3.8694 6.46935 9.31275 numMergedOcc 0
32 mol 270 unq 1 iso 0 dist 6.55866 7.05331 5.00269 5.76483 5.98384 8.56508 numMergedOcc 0
