0 mol 26 unq 0 iso 0 dist 9.06516 14.3325 6.38243 5.497 4.76998 9.5053 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.96121 8.13684 6.38243 12.2621 4.76998 9.5053 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 5.81001 4.52443 7.72462 5.55096 4.06745 8.80014 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.13051 5.36808 6.87028 7.6481 5.45005 6.62229 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.61111 13.6622 8.75597 6.0129 3.94967 8.43352 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.51885 4.69847 7.59156 5.79343 4.08391 9.17466 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.55202 8.96522 9.6121 11.8717 12.8661 8.8562 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.55202 8.96522 9.6121 15.8603 13.3563 7.91683 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 6.13374 11.1324 9.57341 11.1099 5.37917 8.8562 numMergedOcc 0
9 mol 119 unq 3 iso 0 dist 6.13374 11.1324 9.57341 18.7646 15.7711 7.91683 numMergedOcc 0
10 mol 119 unq 4 iso 0 dist 9.08536 8.96522 9.57341 11.8717 5.37917 8.8562 numMergedOcc 0
11 mol 119 unq 5 iso 0 dist 9.08536 8.96522 9.57341 15.8603 15.7711 7.91683 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.93613 5.83002 8.66815 7.36017 5.50104 5.94233 numMergedOcc 0
13 mol 126 unq 1 iso 0 dist 9.93613 5.83002 8.66815 5.14819 7.02562 8.56219 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.44575 8.05714 6.99345 8.55616 11.5269 9.30061 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 7.43401 8.05714 5.11043 8.55616 6.93712 9.30061 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.57379 13.6926 8.48313 21.0029 16.1483 9.30061 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 7.46803 7.12863 8.68663 9.30424 4.06908 6.95372 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 6.65272 6.12036 7.86766 10.3281 9.03836 7.58035 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 7.25339 6.20673 6.07389 9.82146 5.65634 4.5271 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 7.25339 6.20673 6.07389 8.97471 3.87082 7.02575 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 7.10155 7.69247 6.72182 8.52969 7.41775 5.68348 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.91356 8.99405 9.87668 14.999 18.9885 9.23935 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 8.91356 8.99405 9.87668 15.6422 17.5145 7.77552 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 9.59574 18.6744 9.87668 27.4341 18.9885 9.23935 numMergedOcc 0
25 mol 225 unq 3 iso 0 dist 9.59574 18.6744 9.87668 25.9825 17.5145 7.77552 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 8.10546 6.43742 7.07833 11.2145 6.1373 8.34416 numMergedOcc 0
27 mol 230 unq 1 iso 0 dist 8.10546 6.43742 7.07833 11.432 6.19535 6.34832 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 6.96257 9.66782 8.52295 9.28101 5.96499 6.00582 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 6.86569 6.56378 8.52295 9.25517 5.96499 6.00582 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 6.95241 4.61146 9.30437 12.2388 16.0925 8.13034 numMergedOcc 0
