0 mol 34 unq 0 iso 0 dist 8.33947 9.12758 8.18971 6.37369 5.68794 4.24673 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 6.75602 7.22319 9.88728 9.86323 7.16598 9.94672 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 6.75602 7.22319 9.88728 7.46776 7.42476 5.88923 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.54778 13.6126 9.68809 5.72803 5.87382 9.61655 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 8.57909 7.56584 9.68809 4.5348 5.87382 9.61655 numMergedOcc 0
5 mol 158 unq 0 iso 0 dist 9.96635 10.1247 8.79758 13.4119 7.76952 8.89876 numMergedOcc 0
6 mol 158 unq 1 iso 0 dist 9.96635 10.1247 8.79758 12.6695 9.98554 12.9307 numMergedOcc 0
7 mol 159 unq 0 iso 0 dist 9.9368 13.464 7.67418 13.1056 8.61788 4.31404 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 5.99596 9.93041 8.01191 8.9387 9.54118 13.1897 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 7.20545 10.5008 9.26916 6.39898 7.20131 9.22898 numMergedOcc 0
10 mol 174 unq 0 iso 0 dist 8.16228 14.5347 9.79225 4.40064 8.60718 13.0148 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 7.98755 6.45902 5.61752 9.23654 9.40138 10.3887 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.72718 11.4764 8.11956 8.09407 8.92335 9.59768 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 6.2016 7.71442 5.90008 9.82858 7.97601 3.22102 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.96226 5.17472 8.96074 6.23998 5.95109 5.11592 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.82663 9.33375 8.96074 4.93894 5.95109 5.11592 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.26312 7.80147 9.90442 10.9985 5.4687 14.8218 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 7.58554 10.7751 9.90442 10.9079 5.4687 14.8218 numMergedOcc 0
18 mol 268 unq 0 iso 0 dist 5.94741 6.35036 8.38444 5.39453 5.49906 3.80726 numMergedOcc 0
19 mol 268 unq 1 iso 0 dist 5.94741 3.28649 7.30388 5.39453 5.49906 6.58875 numMergedOcc 0
20 mol 268 unq 2 iso 0 dist 7.87089 11.2212 8.67339 11.7423 9.06348 6.6936 numMergedOcc 0
