0 mol 52 unq 0 iso 0 dist 9.60663 9.79797 11.9371 9.50457 15.9363 9.12226 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.68096 5.40287 3.73561 6.82279 9.92438 8.66539 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.68096 5.40287 3.73561 5.52874 7.66055 5.38524 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.68096 5.40287 3.73561 9.02602 11.2215 8.69057 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 7.61972 5.6359 5.83839 11.4221 15.2951 9.69044 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 7.61972 5.6359 5.83839 4.05764 11.0032 6.9103 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 5.80956 5.6359 3.78856 11.4221 9.96382 9.69044 numMergedOcc 0
7 mol 62 unq 3 iso 0 dist 5.80956 5.6359 3.78856 4.05764 7.59416 6.9103 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.91934 8.59002 4.03471 10.2526 11.2833 7.7988 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 7.91934 8.59002 4.03471 12.1073 12.8884 9.40824 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 7.91934 8.59002 4.03471 6.7184 6.5258 4.22363 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 8.64781 8.82192 3.75935 7.05046 7.24965 9.04757 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 7.95509 8.54373 9.47138 10.362 14.2724 8.36842 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 9.21721 4.58113 8.96906 6.87089 15.7985 8.14831 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 8.12807 9.69367 8.97963 12.61 14.1393 7.27993 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 8.12807 9.69367 8.97963 12.7466 16.718 9.51168 numMergedOcc 0
16 mol 229 unq 2 iso 0 dist 8.12807 9.69367 8.97963 6.23286 11.1268 6.95201 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 8.08007 5.29501 3.67394 5.19558 10.553 8.51625 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.91236 6.93417 5.13757 9.13047 5.29682 9.07743 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 8.91236 6.93417 5.13757 5.07898 6.20344 7.66153 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.59505 9.51394 8.93497 6.89449 11.1697 7.45616 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.59505 9.51394 8.93497 6.89449 11.1697 7.45616 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.59505 9.51394 8.93497 6.89449 11.1697 7.45616 numMergedOcc 0
