0 mol 115 unq 0 iso 0 dist 6.37528 7.29949 6.37427 4.55723 6.87861 10.3152 numMergedOcc 0
1 mol 115 unq 1 iso 0 dist 8.64107 4.97528 6.61066 10.0279 6.50039 10.3807 numMergedOcc 0
2 mol 134 unq 0 iso 0 dist 4.9155 4.68337 8.5778 13.386 8.6355 17.082 numMergedOcc 0
3 mol 134 unq 1 iso 0 dist 8.49987 5.16288 8.5778 15.6111 8.6355 17.082 numMergedOcc 0
4 mol 134 unq 2 iso 0 dist 9.42271 12.1816 8.5778 11.8215 8.6355 17.082 numMergedOcc 0
5 mol 176 unq 0 iso 0 dist 8.78509 4.91512 9.84636 12.1262 8.61331 14.8775 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 7.70631 4.48352 9.00273 14.5382 8.99696 12.8534 numMergedOcc 0
7 mol 197 unq 1 iso 0 dist 7.70631 4.48352 9.00273 12.215 7.85058 14.69 numMergedOcc 0
8 mol 197 unq 2 iso 0 dist 7.70631 4.48352 9.00273 16.4731 9.96638 16.2393 numMergedOcc 0
9 mol 197 unq 3 iso 0 dist 7.70631 5.0414 7.19387 14.5382 8.99696 15.758 numMergedOcc 0
10 mol 197 unq 4 iso 0 dist 7.70631 5.0414 7.19387 12.215 7.85058 8.21858 numMergedOcc 0
11 mol 197 unq 5 iso 0 dist 7.70631 5.0414 7.19387 16.4731 9.96638 15.2184 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 9.79816 6.61764 9.95084 5.5349 8.53199 4.99098 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.14644 7.55963 9.05754 8.02272 6.84247 9.9115 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 8.14644 7.55963 9.05754 9.32762 6.99002 5.53308 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 5.77925 5.70162 6.0087 11.3746 7.17676 9.3775 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 5.77925 5.70162 6.0087 5.79263 6.68463 4.59056 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.39537 10.2639 9.94587 7.28423 6.91569 12.3467 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 7.23956 13.4588 6.86014 12.9898 9.41725 6.60083 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 7.23956 6.34637 5.97073 12.9898 9.41725 10.5543 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 7.23956 6.5109 6.49176 12.9898 9.41725 14.6973 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 9.91518 17.7311 8.62414 7.70648 6.35287 13.9754 numMergedOcc 0
