0 mol 65 unq 0 iso 0 dist 7.62028 9.52322 13.5964 8.70783 6.59475 12.9324 numMergedOcc 0
1 mol 65 unq 1 iso 0 dist 7.62028 9.52322 13.5964 9.20162 13.4516 5.18236 numMergedOcc 0
2 mol 65 unq 2 iso 0 dist 9.61118 9.52322 4.67673 8.70783 15.7536 12.9324 numMergedOcc 0
3 mol 65 unq 3 iso 0 dist 9.61118 9.52322 4.67673 9.20162 8.53806 5.18236 numMergedOcc 0
4 mol 65 unq 4 iso 0 dist 8.72097 9.52322 5.26288 8.70783 12.9305 12.9324 numMergedOcc 0
5 mol 65 unq 5 iso 0 dist 8.72097 9.52322 5.26288 9.20162 4.01708 5.18236 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 4.3761 7.00373 4.45424 9.66226 11.2155 10.2677 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.84583 7.00373 9.47873 9.66226 9.51607 10.2677 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.04398 7.77845 9.89157 5.7085 9.59657 10.6347 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.55237 8.82363 10.089 6.03852 10.0548 8.7258 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.55237 8.82363 10.089 6.26056 4.12065 6.67552 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 7.80661 5.76702 10.089 8.97069 10.0548 8.7258 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 7.80661 5.76702 10.089 5.7251 4.12065 6.67552 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 8.94007 7.88785 4.30798 5.53183 7.38323 4.42975 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.60654 9.16822 11.8766 8.65088 7.43844 7.13782 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 7.11262 9.16822 7.34921 8.65088 4.32093 7.13782 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 5.67249 5.99388 4.21173 8.88567 6.06471 5.70413 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 5.67249 5.99388 4.21173 9.45787 11.1213 7.17691 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 6.5095 9.8043 12.428 7.24253 10.2558 4.78857 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 6.5095 9.8043 12.428 7.83742 7.31632 17.3096 numMergedOcc 0
20 mol 243 unq 2 iso 0 dist 5.1766 9.8043 7.69259 7.24253 3.87679 4.78857 numMergedOcc 0
21 mol 243 unq 3 iso 0 dist 5.1766 9.8043 7.69259 7.83742 10.9686 17.3096 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.79012 8.76664 16.6519 7.23618 7.55193 13.5966 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 8.79012 9.00987 14.2669 7.23618 7.55193 8.60199 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 6.20857 6.76991 6.83359 9.88921 14.5298 10.2448 numMergedOcc 0
