0 mol 10 unq 0 iso 0 dist 9.09758 3.97711 9.43029 10.2624 3.92592 9.39486 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.01238 5.43726 6.7142 6.84751 5.39199 8.96682 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 5.22453 6.56408 5.22979 8.77351 4.02746 7.27243 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 5.22453 6.56408 5.22979 8.59794 5.67846 8.23784 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 7.27643 5.38977 5.22979 9.89655 4.02746 7.27243 numMergedOcc 0
5 mol 30 unq 3 iso 0 dist 7.27643 5.38977 5.22979 9.03928 5.67846 8.23784 numMergedOcc 0
6 mol 30 unq 4 iso 0 dist 5.73475 4.07658 5.22979 9.28461 4.02746 7.27243 numMergedOcc 0
7 mol 30 unq 5 iso 0 dist 5.73475 4.07658 5.22979 10.6108 5.67846 8.23784 numMergedOcc 0
8 mol 30 unq 6 iso 0 dist 7.90081 4.87092 5.22979 8.93805 4.02746 7.27243 numMergedOcc 0
9 mol 30 unq 7 iso 0 dist 7.90081 4.87092 5.22979 11.2208 5.67846 8.23784 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.2958 10.4541 7.46095 12.9361 10.1364 9.59729 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 6.9297 3.89377 7.43127 8.52697 3.99035 8.64934 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 6.9297 3.89377 7.43127 9.9818 4.53016 8.7515 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.62881 9.82571 6.59716 10.7892 11.7168 9.99441 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.45854 5.75544 8.93769 11.5632 4.52323 8.89015 numMergedOcc 0
15 mol 107 unq 0 iso 0 dist 9.81403 4.92969 5.33764 10.7121 3.79393 6.11492 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 5.93497 4.03471 5.36587 5.80831 3.99855 6.96745 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.8891 7.18009 6.65731 14.3376 10.0208 7.92216 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.83185 10.1329 8.06308 13.3652 11.9796 9.92831 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.0234 9.78848 8.06308 9.45579 11.9796 9.92831 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 9.13228 10.5797 7.58375 10.0821 7.81466 4.61596 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.00354 7.80528 7.7086 13.6945 6.67492 9.3502 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.7625 15.23 9.26157 12.4519 6.64795 7.16209 numMergedOcc 0
