0 mol 5 unq 0 iso 0 dist 9.68326 11.248 7.74636 15.759 9.53396 5.63302 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.18111 13.8389 7.74636 17.2144 9.53396 5.63302 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 6.72878 10.6462 8.27119 9.61315 4.23128 8.59991 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 8.98326 9.00405 4.36087 9.81561 8.26217 9.38691 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 8.98326 9.00405 4.36087 9.88078 9.51548 8.65986 numMergedOcc 0
5 mol 20 unq 2 iso 0 dist 8.98326 9.00405 4.36087 7.53599 10.9502 9.74724 numMergedOcc 0
6 mol 20 unq 3 iso 0 dist 8.98326 7.86889 7.09639 9.88078 9.51548 9.39462 numMergedOcc 0
7 mol 20 unq 4 iso 0 dist 8.98326 7.86889 7.09639 7.53599 10.9502 9.13347 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.94712 5.15508 9.41463 9.79771 12.4821 6.89022 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.56119 9.62606 9.80913 12.0758 6.52581 8.70827 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.56119 9.62606 9.80913 10.6858 10.4812 9.86479 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 8.59532 11.1637 7.47401 5.7306 6.11889 8.50773 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 8.09403 9.24858 5.23187 11.9579 5.25033 8.93083 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 8.09403 9.24858 5.23187 10.9498 3.56524 5.62851 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.32553 3.30102 4.97301 10.7382 5.19623 8.42716 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 6.32553 3.30102 4.97301 6.254 3.45124 5.69652 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.28826 12.7192 8.49349 17.7364 12.4228 9.07582 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 6.28826 12.7192 8.49349 19.6692 14.2062 8.62183 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 8.28155 5.14513 6.19602 8.57319 4.38808 9.04156 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 8.63804 11.3307 8.88902 17.1954 10.308 8.47836 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 7.95045 14.1621 9.81261 14.0778 9.49612 8.63893 numMergedOcc 0
