0 mol 7 unq 0 iso 0 dist 6.28925 9.68596 5.82034 9.87885 5.35168 10.1841 13.2247 8.70159 12.9581 6.1206 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.89702 7.03958 5.13275 6.56356 5.74008 4.1204 10.9495 12.3112 7.18019 9.01112 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.89702 7.03958 5.13275 6.56356 5.74008 4.1204 8.09332 12.5002 8.44009 7.62333 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 5.61656 7.12365 6.10786 6.07517 8.74649 4.98558 5.34368 6.95343 8.1284 6.74179 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 7.22242 7.12365 8.35022 6.07517 10.9847 4.98558 5.34368 11.0669 8.1284 6.74179 numMergedOcc 0
5 mol 30 unq 2 iso 0 dist 6.95343 8.1284 6.10786 6.74179 8.74649 4.98558 5.34368 5.61656 7.12365 6.07517 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 7.13406 7.56205 9.89877 9.69044 9.55794 4.09232 8.62608 13.0088 4.74544 6.9103 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 8.96978 9.27838 10.2373 7.12321 6.82436 14.005 5.36766 11.9307 11.1896 9.74228 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 8.96978 9.27838 10.2373 7.12321 6.82436 14.005 8.24309 11.4456 16.0048 6.21799 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 4.5985 7.80975 4.71426 9.21662 8.59989 12.48 10.8375 12.5743 14.8081 8.91882 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.70093 8.00003 4.2439 8.95212 10.9729 12.3661 10.9871 11.3244 13.7362 6.99446 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.70093 8.00003 4.2439 8.95212 10.9729 12.3661 9.93257 6.69217 9.77873 7.64052 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 6.69217 6.52773 7.03042 7.64052 10.9729 5.37917 9.93257 9.70093 9.87889 8.95212 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 6.69217 6.52773 7.03042 7.64052 10.9729 5.37917 4.85907 11.3244 9.11344 6.99446 numMergedOcc 0
14 mol 119 unq 4 iso 0 dist 6.69217 9.23858 10.0127 7.64052 10.9729 15.7711 9.93257 9.70093 18.192 8.95212 numMergedOcc 0
15 mol 119 unq 5 iso 0 dist 6.69217 9.23858 10.0127 7.64052 10.9729 15.7711 4.85907 11.3244 12.7677 6.99446 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.47008 5.94469 11.0205 9.01624 8.25265 11.9796 11.5866 13.0425 14.8638 5.05973 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 5.40597 7.59632 9.99563 4.33238 4.27314 5.75906 7.02195 7.66784 10.3776 7.83604 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 7.48753 8.69356 7.26986 8.19317 5.67913 10.0135 7.218 9.22081 10.3932 5.1823 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 7.48753 8.69356 7.26986 6.29377 4.80217 5.2878 7.218 9.22081 10.3932 5.70635 numMergedOcc 0
