0 mol 7 unq 0 iso 0 dist 6.63423 7.13259 4.58682 3.92058 9.00876 9.4095 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.25234 9.49232 16.0368 15.7777 21.3129 9.4095 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.4024 7.4379 8.12009 12.1963 14.6355 8.91798 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 9.4024 7.4379 8.12009 11.5487 15.9276 8.54422 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.32126 9.57343 6.09371 16.7996 12.9122 8.99557 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.9898 9.17671 12.5299 11.1416 16.1635 6.16537 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 6.9898 9.17671 12.5299 5.18043 12.1687 9.77978 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 5.55005 8.19835 6.51107 8.97001 12.2534 8.94422 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.98076 9.06373 10.0144 4.18707 12.4117 8.64091 numMergedOcc 0
9 mol 136 unq 0 iso 0 dist 9.14098 6.6829 5.02534 5.12719 9.16075 6.27434 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 9.15244 5.7126 12.6201 4.88159 11.8142 7.5179 numMergedOcc 0
11 mol 167 unq 1 iso 0 dist 8.08948 5.7126 5.7816 4.88159 12.0606 7.5179 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 7.54921 7.11604 6.03283 4.10999 6.33325 9.04442 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 7.54921 7.11604 6.03283 16.1375 12.9292 9.07802 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.54728 7.41627 9.18007 5.09497 14.3816 9.27706 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 7.24226 8.7248 5.57575 7.47327 9.01177 6.68688 numMergedOcc 0
16 mol 252 unq 1 iso 0 dist 7.24226 8.7248 5.57575 12.9026 13.6892 9.17576 numMergedOcc 0
17 mol 252 unq 2 iso 0 dist 7.46598 8.98898 5.57575 12.553 9.01177 6.68688 numMergedOcc 0
18 mol 252 unq 3 iso 0 dist 7.46598 8.98898 5.57575 11.6035 13.6892 9.17576 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 6.59906 8.76413 5.50967 4.56764 6.84909 9.22345 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 7.1839 8.76413 11.1934 4.56764 10.1584 9.22345 numMergedOcc 0
