0 mol 28 unq 0 iso 0 dist 7.7871 6.94749 8.79638 11.1346 8.53424 5.61871 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.7871 6.94749 8.79638 10.8275 7.08766 7.3517 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.7871 6.94749 8.79638 7.90018 4.82199 6.13016 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.7871 7.04268 6.42785 11.1346 8.53424 9.02992 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.7871 7.04268 6.42785 10.8275 7.08766 6.51048 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 7.7871 7.04268 6.42785 7.90018 4.82199 4.18951 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 7.7871 6.5776 5.75809 11.1346 8.53424 13.5265 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 7.7871 6.5776 5.75809 10.8275 7.08766 12.1819 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 7.7871 6.5776 5.75809 7.90018 4.82199 9.28235 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.75543 6.67981 7.60619 6.51961 4.15789 4.91617 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 7.75543 6.67981 7.60619 4.08459 4.808 8.05938 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 8.63446 6.3566 8.96446 4.77556 5.24346 4.28396 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 7.2168 15.5768 9.4238 8.41816 8.88124 17.9309 numMergedOcc 0
13 mol 107 unq 1 iso 0 dist 7.2168 15.5768 9.4238 15.3177 8.19484 8.0395 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 8.11813 13.2936 8.69371 6.42834 4.91212 9.05868 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 8.11813 13.2936 8.69371 15.1151 9.34782 9.16288 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 4.821 6.24828 8.08737 5.74569 8.565 6.14269 numMergedOcc 0
17 mol 151 unq 0 iso 0 dist 9.00461 14.2659 8.16646 4.5975 9.37533 16.5297 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 9.13587 14.8942 6.10013 16.5276 8.30069 4.40965 numMergedOcc 0
19 mol 193 unq 1 iso 0 dist 9.13587 14.8942 6.10013 15.3446 8.83551 6.04442 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.56217 11.9085 7.26295 11.7008 5.10542 3.64489 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 9.81055 11.9085 7.31316 11.7008 4.68722 3.64489 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 9.81055 11.9085 7.31316 14.7138 5.18325 9.00349 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 9.81055 13.7794 8.9865 11.7008 4.68722 13.481 numMergedOcc 0
24 mol 194 unq 4 iso 0 dist 9.81055 13.7794 8.9865 14.7138 5.18325 11.1547 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 8.2484 5.33647 5.22629 5.02086 7.83831 6.44449 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.17436 9.20687 9.57637 9.08224 4.68668 11.8739 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 8.17436 9.20687 9.57637 9.08224 4.68668 11.8739 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.17436 9.20687 9.57637 9.08224 4.68668 11.8739 numMergedOcc 0
