0 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 10.1898 4.47891 7.95042 11.6516 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 8.10697 5.39129 7.05737 5.29179 7.54179 5.64331 8.62204 5.26748 9.19165 10.9308 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.41473 6.6796 9.93832 10.2523 8.60739 8.13395 9.23033 4.55347 6.6263 6.75943 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.41473 10.2523 8.60739 6.6796 9.93832 8.13395 9.23033 4.55347 6.75943 6.6263 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.59232 6.71593 8.85586 5.72472 5.16364 8.07446 7.91605 5.50891 5.5087 5.61588 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.59232 6.71593 8.85586 5.72472 5.16364 8.07446 6.43707 4.75954 6.08682 7.83244 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.59232 5.72472 5.16364 6.71593 8.85586 8.07446 5.79157 5.56296 8.72682 10.2939 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.59232 5.72472 5.16364 6.71593 8.85586 8.07446 10.5064 6.69436 6.45841 8.62198 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 6.59232 5.72472 5.16364 6.71593 8.85586 8.07446 7.91605 5.50891 5.61588 5.5087 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 6.59232 5.72472 5.16364 6.71593 8.85586 8.07446 6.43707 4.75954 7.83244 6.08682 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.8349 8.71039 5.55373 9.5782 5.30999 9.27976 10.0551 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 11.1286 6.85302 5.74635 9.82338 8.58039 6.61112 11.456 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.05979 10.591 7.24795 7.10544 9.56197 9.41955 17.1539 9.40383 8.73533 16.711 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 9.05979 10.591 7.24795 8.86145 8.64409 13.684 17.1539 9.40383 8.73533 17.684 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 9.05979 10.591 7.24795 10.8899 7.60202 9.45987 17.1539 9.40383 8.73533 13.8845 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 9.71415 13.4459 8.86175 13.3081 6.29511 4.72474 18.986 13.4147 8.75536 7.33709 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 9.71415 13.3081 6.29511 13.4459 8.86175 4.72474 18.986 13.4147 7.33709 8.75536 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 10.7273 7.3164 5.23634 6.91318 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 10.7273 7.3164 6.91318 5.23634 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 4.7359 6.16697 7.5366 4.67725 7.56091 9.82284 12.4723 11.0592 7.81215 16.672 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 4.7359 6.16697 7.5366 4.74041 8.24186 5.88703 12.4723 11.0592 7.81215 11.6391 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 8.46518 4.53213 6.17052 6.33032 9.77666 5.55137 7.90773 7.14182 9.05018 9.33962 numMergedOcc 0
