0 mol 12 unq 0 iso 0 dist 9.86138 13.1993 5.9021 22.6857 14.5243 9.99955 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.76006 5.77108 5.9021 13.3559 14.5243 9.99955 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.77714 13.11 6.01454 16.944 11.7008 9.65989 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.77714 13.11 6.01454 9.66461 5.82846 8.66272 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.46118 4.99432 6.01454 10.8428 11.7008 9.65989 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.46118 4.99432 6.01454 8.81136 5.82846 8.66272 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.85511 10.6994 9.22636 13.238 5.62453 7.98408 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 7.79845 6.84485 8.15549 10.3609 5.6296 7.73306 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.12739 9.30712 6.03184 8.41614 4.81365 9.30469 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 8.3311 13.2828 7.30965 15.2896 9.583 8.40971 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 7.74423 4.2039 7.30965 11.9146 9.583 8.40971 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.14413 12.3207 6.24111 12.8814 6.24537 7.52542 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 8.14413 12.2935 9.00343 12.8814 6.24537 9.58979 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 9.62606 10.9243 6.01666 6.86611 6.28311 9.94746 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 8.80245 6.96924 8.36396 11.413 9.09385 5.22312 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 9.744 6.51459 7.41298 12.23 4.76856 7.16899 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 9.744 6.51459 7.41298 8.10031 5.37459 9.27693 numMergedOcc 0
17 mol 241 unq 2 iso 0 dist 7.62827 6.51459 9.99337 12.23 11.0792 7.16899 numMergedOcc 0
18 mol 241 unq 3 iso 0 dist 7.62827 6.51459 9.99337 8.10031 5.02153 9.27693 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 7.80528 8.99739 7.53352 14.2101 9.73538 9.62779 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 7.80528 8.99739 7.53352 16.134 14.2144 8.8044 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.13376 15.4511 8.91916 18.0286 13.2664 8.06955 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 5.72197 5.5267 7.93511 10.9983 10.499 9.06244 numMergedOcc 0
