0 mol 18 unq 0 iso 0 dist 8.2056 6.41856 7.37821 5.34733 6.39307 9.45949 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.2056 8.51213 4.25207 5.34733 6.39307 5.65084 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 7.56492 9.63803 13.6027 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.66602 9.72289 5.3315 13.5965 9.63803 13.6027 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 8.61468 9.45835 7.17843 7.18645 7.32064 6.85523 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 8.61468 9.45835 7.17843 6.85342 5.24136 8.28423 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 8.61468 9.45835 7.17843 10.4457 6.44687 13.3131 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 8.61468 9.45835 7.17843 12.613 5.85007 5.77326 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 6.27186 9.45835 4.4651 7.18645 4.62314 6.85523 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 6.27186 9.45835 4.4651 6.85342 4.41745 8.28423 numMergedOcc 0
10 mol 78 unq 6 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 9.01045 8.59739 15.6708 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 8.69068 5.45787 4.93762 8.58741 9.14068 10.0743 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 7.05148 6.12348 8.80934 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 10.4345 6.31773 10.5599 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 6.30982 5.22628 4.86477 3.97496 9.79864 9.13312 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 6.12404 5.22628 5.24961 3.82475 8.42219 6.39384 numMergedOcc 0
17 mol 146 unq 0 iso 0 dist 5.3184 8.53451 4.78114 3.75935 6.93154 11.2631 numMergedOcc 0
18 mol 146 unq 1 iso 0 dist 5.3184 7.24965 5.44003 3.75935 6.93154 9.04757 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.92025 5.99137 9.01197 14.3613 9.94117 15.106 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.84088 6.92721 9.86326 3.45727 7.63381 6.73665 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 6.55866 7.05331 5.00269 3.8694 6.46935 9.31275 numMergedOcc 0
22 mol 270 unq 1 iso 0 dist 6.55866 7.05331 5.00269 5.76483 5.98384 8.56508 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 5.76223 8.44108 9.68222 4.0294 5.72473 11.3888 numMergedOcc 0
