0 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 10.5623 8.19237 7.61402 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 4.5673 5.59308 6.01423 10.5623 8.19237 8.11293 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.31426 9.81259 7.1539 9.46036 5.47738 6.58062 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 6.15654 6.3678 6.72712 10.0422 4.665 7.36397 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 6.15654 7.31722 5.39745 10.0422 4.665 6.58062 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 4.86767 4.8628 6.51395 11.6281 14.3305 8.90311 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.12854 6.34223 5.60389 8.76598 5.67542 6.87582 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.12854 6.34223 5.60389 12.4919 5.16645 8.77794 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.03113 11.1305 6.49383 12.2658 7.11876 9.88812 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 9.2638 12.8624 6.49383 15.4295 7.11876 9.88812 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 17.6001 14.6187 9.13913 numMergedOcc 0
11 mol 188 unq 0 iso 0 dist 6.20426 9.12244 9.33696 13.4054 9.80942 8.61217 numMergedOcc 0
12 mol 188 unq 1 iso 0 dist 6.20426 9.12244 9.33696 18.5632 17.4486 9.56587 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 8.27761 4.87212 7.17337 10.8787 7.46856 6.37335 numMergedOcc 0
14 mol 232 unq 1 iso 0 dist 8.27761 4.87212 7.17337 7.49905 5.53537 8.66693 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.85821 10.9858 5.88802 10.5624 11.9194 9.10967 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 9.85821 10.9858 5.88802 15.0371 6.75792 7.83632 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 9.29788 15.6651 9.58354 13.6171 5.01342 6.52138 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 9.50983 14.0411 9.58354 13.4785 5.01342 6.52138 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 7.66302 13.6577 9.24367 12.0846 4.99186 6.10834 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 7.66302 13.6577 9.24367 12.8566 8.17282 8.24233 numMergedOcc 0
21 mol 279 unq 2 iso 0 dist 7.66302 13.6577 9.24367 18.7769 14.2536 8.50767 numMergedOcc 0
22 mol 284 unq 0 iso 0 dist 4.87349 5.83318 6.61376 6.81709 4.47263 8.6173 numMergedOcc 0
