0 mol 18 unq 0 iso 0 dist 8.51213 5.34733 5.65084 8.2056 4.25207 6.39307 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.00307 3.8857 4.79873 9.59327 5.59268 8.27137 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.16494 4.71262 7.18022 13.7594 9.84195 9.81143 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.16494 4.28439 6.24711 13.7594 9.84195 9.78839 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.45835 7.18645 6.85523 8.61468 7.17843 7.32064 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 9.45835 7.18645 6.85523 6.27186 4.4651 4.62314 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 9.45835 12.613 5.77326 8.61468 7.17843 5.85007 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 9.45835 12.613 5.77326 6.27186 4.4651 6.35234 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.25679 5.7326 7.51139 11.3108 4.88949 9.44737 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.13273 12.5746 8.57395 13.1868 5.69671 9.70292 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.13273 16.9294 9.85409 13.1868 5.69671 9.59704 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.29529 7.05148 8.80934 8.28452 14.0364 6.12348 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.29529 7.05148 8.80934 13.3163 12.1308 7.2672 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.22628 3.82475 6.39384 6.12404 5.24961 8.42219 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 7.24965 3.75935 9.04757 5.3184 5.44003 6.93154 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.09426 12.6481 7.2793 18.3737 11.7795 6.52441 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.92721 3.45727 6.73665 6.84088 9.86326 7.63381 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 8.95261 3.84196 8.83833 9.51607 6.45947 8.70029 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 7.80336 5.95711 8.83833 11.245 6.45947 8.70029 numMergedOcc 0
19 mol 270 unq 0 iso 0 dist 7.05331 3.8694 9.31275 6.55866 5.00269 6.46935 numMergedOcc 0
20 mol 270 unq 1 iso 0 dist 7.05331 5.76483 8.56508 6.55866 5.00269 5.98384 numMergedOcc 0
