0 mol 1 unq 0 iso 0 dist 7.68779 6.41817 11.8728 7.42008 11.3766 9.76602 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.41745 7.4036 10.9547 8.41256 16.299 9.25493 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 12.1626 9.7522 8.99751 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.15677 9.53735 10.797 14.2372 13.4268 9.30674 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.15677 9.53735 10.797 14.8605 16.1537 8.25567 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.61029 9.34599 10.797 7.53125 9.7522 8.99751 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 9.61029 9.34599 10.797 9.31749 13.4268 9.30674 numMergedOcc 0
7 mol 26 unq 5 iso 0 dist 9.61029 9.34599 10.797 11.7685 16.1537 8.25567 numMergedOcc 0
8 mol 26 unq 6 iso 0 dist 9.61029 6.32127 10.9837 7.53125 9.7522 9.44507 numMergedOcc 0
9 mol 27 unq 0 iso 0 dist 8.28463 7.24775 14.3929 12.4614 19.7162 5.66743 numMergedOcc 0
10 mol 27 unq 1 iso 0 dist 8.28463 7.24775 14.3929 10.6589 16.4314 7.42669 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 7.16036 9.52676 4.55437 6.03595 9.44909 9.45566 numMergedOcc 0
12 mol 46 unq 0 iso 0 dist 9.31319 6.19084 10.5906 5.79552 14.405 9.27409 numMergedOcc 0
13 mol 46 unq 1 iso 0 dist 8.2513 6.19084 12.8683 5.79552 11.2009 9.27409 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 8.88887 5.97635 4.38047 numMergedOcc 0
15 mol 61 unq 0 iso 0 dist 8.60577 5.39827 9.23414 7.90807 15.425 6.94677 numMergedOcc 0
16 mol 65 unq 0 iso 0 dist 9.9997 9.68286 5.51708 4.98203 8.76461 5.83149 numMergedOcc 0
17 mol 65 unq 1 iso 0 dist 9.38611 8.58416 6.47381 8.82113 11.2698 5.83149 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 8.28737 6.25276 4.3931 5.37389 8.58841 7.75211 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 14.6602 18.1028 9.16592 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 9.91446 6.6157 7.16919 10.6262 10.9561 9.16592 numMergedOcc 0
21 mol 100 unq 2 iso 0 dist 9.26343 6.6157 9.75737 10.6262 18.1028 9.16592 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 7.63658 6.73172 5.76986 6.50047 7.53905 5.42828 numMergedOcc 0
23 mol 112 unq 1 iso 0 dist 7.65229 6.73172 5.39346 6.50047 7.15985 5.42828 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 8.3035 8.07237 7.8472 10.0122 15.3017 8.7085 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 4.58695 7.15815 9.69704 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 11.088 7.15815 9.69704 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 9.22576 9.52718 4.9628 7.88871 11.3387 7.76945 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 9.22576 9.52718 4.9628 7.88871 11.3387 7.76945 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 9.22576 9.52718 4.9628 7.88871 11.3387 7.76945 numMergedOcc 0
