0 mol 62 unq 0 iso 0 dist 6.49446 5.48283 5.56988 7.84363 9.3913 10.9112 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 6.49446 8.18866 3.71033 7.84363 9.3913 11.2315 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.77675 5.35145 3.77705 6.40777 6.23298 9.06101 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.19959 8.85892 3.37815 5.93093 6.36178 5.79157 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 7.66459 9.54537 10.0429 7.15447 9.47957 15.7623 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 7.66459 9.54537 10.0429 10.8675 9.4046 17.0826 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.91055 7.15918 5.82228 4.77259 9.28585 8.48639 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.94991 9.27894 6.44712 11.4044 9.83906 13.8637 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 8.61918 9.50607 6.30259 11.0384 9.129 10.3045 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.39622 5.09756 3.6848 6.28015 9.71223 9.82338 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 5.39622 7.44523 5.33968 6.28015 9.71223 7.99933 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 9.75853 9.56218 13.3592 8.15793 9.12583 16.3846 numMergedOcc 0
12 mol 186 unq 3 iso 0 dist 9.75853 8.30899 13.0046 8.15793 9.12583 15.8938 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 7.83389 7.1329 3.81315 9.77528 7.252 7.578 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.78004 9.9922 15.6572 7.30643 8.56656 14.7879 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.60654 9.48525 16.0311 12.0294 9.76251 21.1322 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 9.6748 7.42359 6.76489 11.9134 9.19579 8.07313 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 6.5095 5.91328 6.75573 4.57371 8.89116 9.71196 numMergedOcc 0
18 mol 243 unq 2 iso 0 dist 6.5095 6.02146 7.64134 4.57371 8.89116 7.89993 numMergedOcc 0
19 mol 243 unq 3 iso 0 dist 5.1766 5.91328 8.61196 4.57371 8.28364 9.71196 numMergedOcc 0
20 mol 243 unq 4 iso 0 dist 5.1766 6.02146 10.4256 4.57371 8.28364 7.89993 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.01177 9.86407 16.4224 10.4668 8.63848 17.5346 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.40448 8.93379 6.77003 4.80106 4.75866 5.60922 numMergedOcc 0
