0 mol 12 unq 0 iso 0 dist 9.41745 7.4036 10.9547 10.5078 18.7553 9.90835 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 8.87921 16.1166 9.36924 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 9.34599 10.797 17.7357 16.1166 9.36924 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.61029 6.32127 10.9837 4.56199 13.6545 6.7142 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.60577 5.39827 9.23414 6.03422 14.3924 8.60069 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.63658 6.73172 5.76986 7.35282 9.05166 8.72725 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 7.63658 6.73172 5.76986 8.43423 5.56994 6.11407 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 7.65229 6.73172 5.39346 7.35282 10.2348 8.72725 numMergedOcc 0
8 mol 112 unq 3 iso 0 dist 7.65229 6.73172 5.39346 8.43423 9.95699 6.11407 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 4.93035 9.14007 7.42649 6.48796 8.07097 5.29898 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 9.75558 9.14007 9.43674 6.48796 11.5913 5.29898 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.1504 9.58371 7.49843 10.8566 15.3486 9.97968 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 5.45761 11.9951 9.40971 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 9.05666 7.35424 14.8459 5.45761 11.9951 9.8428 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 6.64506 5.21339 9.09988 10.7178 16.8309 8.48879 numMergedOcc 0
15 mol 196 unq 1 iso 0 dist 6.64506 5.21339 9.09988 9.37254 13.6262 5.89591 numMergedOcc 0
16 mol 196 unq 2 iso 0 dist 6.64506 5.21339 9.09988 12.899 14.0663 9.72376 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 6.6094 7.9133 9.48625 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 6.6094 11.6352 9.48625 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.93154 5.87056 6.00424 10.8814 10.7855 9.18728 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 9.93154 9.84311 10.7656 10.8814 10.7855 8.91971 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 9.18218 5.87056 9.76735 10.8814 11.2661 9.18728 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 9.18218 9.84311 5.10635 10.8814 11.2661 8.91971 numMergedOcc 0
23 mol 227 unq 4 iso 0 dist 6.18486 5.87056 9.32448 10.8814 12.3663 9.18728 numMergedOcc 0
24 mol 227 unq 5 iso 0 dist 6.18486 9.84311 6.48027 10.8814 12.3663 8.91971 numMergedOcc 0
25 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 7.17376 14.1 9.38222 numMergedOcc 0
26 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 7.17376 12.2771 9.38222 numMergedOcc 0
