0 mol 10 unq 0 iso 0 dist 9.09758 6.55806 5.59965 3.97711 9.43029 4.99208 10.2624 3.92592 6.18431 9.39486 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.01238 13.0316 6.56527 5.43726 6.7142 10.0347 6.84751 5.39199 9.82888 8.96682 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 5.22453 9.855 7.14464 6.56408 5.22979 9.01474 8.77351 4.02746 9.4577 7.27243 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 5.22453 9.855 7.14464 6.56408 5.22979 9.01474 8.59794 5.67846 12.422 8.23784 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 7.27643 12.4017 7.14464 5.38977 5.22979 9.01474 9.89655 4.02746 9.4577 7.27243 numMergedOcc 0
5 mol 30 unq 3 iso 0 dist 7.27643 12.4017 7.14464 5.38977 5.22979 9.01474 9.03928 5.67846 12.422 8.23784 numMergedOcc 0
6 mol 30 unq 4 iso 0 dist 5.73475 7.06531 7.14464 4.07658 5.22979 9.01474 9.28461 4.02746 9.4577 7.27243 numMergedOcc 0
7 mol 30 unq 5 iso 0 dist 5.73475 7.06531 7.14464 4.07658 5.22979 9.01474 10.6108 5.67846 12.422 8.23784 numMergedOcc 0
8 mol 30 unq 6 iso 0 dist 7.90081 8.03355 7.14464 4.87092 5.22979 9.01474 8.93805 4.02746 9.4577 7.27243 numMergedOcc 0
9 mol 30 unq 7 iso 0 dist 7.90081 8.03355 7.14464 4.87092 5.22979 9.01474 11.2208 5.67846 12.422 8.23784 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.2958 14.0749 8.95905 10.4541 7.46095 6.6642 12.9361 10.1364 15.2551 9.59729 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 6.9297 12.6241 9.78384 3.89377 7.43127 9.51372 8.52697 3.99035 9.77084 8.64934 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 6.9297 12.6241 9.78384 3.89377 7.43127 9.51372 9.9818 4.53016 6.5551 8.7515 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.45854 13.0366 9.91054 5.75544 8.93769 11.9597 11.5632 4.52323 12.2123 8.89015 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.8891 12.0582 9.10042 7.18009 6.65731 14.0725 14.3376 10.0208 17.2659 7.92216 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 6.8891 13.5187 9.75059 7.18009 6.65731 13.1981 14.3376 10.0208 15.2695 7.92216 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 6.8891 10.0354 6.83404 7.18009 6.65731 3.98068 14.3376 10.0208 5.92302 7.92216 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.83185 13.1684 9.92471 10.1329 8.06308 5.42414 13.3652 11.9796 15.0909 9.92831 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.0234 12.116 9.92471 9.78848 8.06308 5.42414 9.45579 11.9796 15.0909 9.92831 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.13228 13.8418 7.54099 10.5797 7.58375 4.67256 10.0821 7.81466 7.81263 4.61596 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.7625 4.44586 8.20644 15.23 9.26157 16.0346 12.4519 6.64795 12.5241 7.16209 numMergedOcc 0
