0 mol 0 unq 0 iso 0 dist 9.89568 9.8404 9.16606 12.6568 13.0422 5.98788 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 9.41816 8.66179 8.18794 14.0487 5.88946 8.94022 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.50403 5.97042 6.30436 13.0371 4.81608 9.13116 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.54999 6.66552 7.67459 10.1784 8.59948 8.74005 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.25196 5.05748 6.29755 13.6202 9.58891 9.57335 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.25196 5.05748 6.29755 13.4907 11.1253 8.60653 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 8.88159 5.05748 7.4038 13.6202 7.573 9.57335 numMergedOcc 0
7 mol 54 unq 3 iso 0 dist 8.88159 5.05748 7.4038 13.4907 10.063 8.60653 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.28357 7.17313 5.37449 11.2779 7.75939 7.3795 numMergedOcc 0
9 mol 96 unq 0 iso 0 dist 8.40684 7.7528 8.71026 11.9822 12.8509 9.87414 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 9.5205 6.57549 8.44933 5.05869 6.58625 8.2793 numMergedOcc 0
11 mol 125 unq 1 iso 0 dist 7.1608 6.57549 7.43803 5.05869 6.67445 8.2793 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.74102 4.95069 9.02712 10.4947 15.0618 9.93309 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 5.88001 13.5995 8.5614 11.5467 9.5453 7.38183 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 6.33118 9.51094 8.95432 12.1541 7.35951 8.57657 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 9.77271 4.50907 8.49577 10.9077 8.87236 6.65725 numMergedOcc 0
16 mol 221 unq 0 iso 0 dist 9.20787 5.46929 9.79791 10.2498 5.81456 9.28398 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 8.29033 12.4349 8.24741 11.6867 4.66376 6.82883 numMergedOcc 0
18 mol 226 unq 1 iso 0 dist 8.29033 12.4349 8.24741 18.8656 13.3747 6.95495 numMergedOcc 0
19 mol 226 unq 2 iso 0 dist 8.29033 4.67515 5.07958 11.6867 4.66376 8.22518 numMergedOcc 0
20 mol 226 unq 3 iso 0 dist 8.29033 11.2053 6.19519 11.6867 4.66376 6.02803 numMergedOcc 0
21 mol 226 unq 4 iso 0 dist 5.44698 11.1522 8.24741 8.22952 4.66376 6.82883 numMergedOcc 0
22 mol 226 unq 5 iso 0 dist 5.44698 11.1522 8.24741 16.6882 13.3747 6.95495 numMergedOcc 0
23 mol 226 unq 6 iso 0 dist 5.44698 4.8749 5.07958 8.22952 4.66376 8.22518 numMergedOcc 0
24 mol 226 unq 7 iso 0 dist 5.44698 6.81662 6.19519 8.22952 4.66376 6.02803 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 9.63091 11.974 9.92947 17.7799 9.96775 9.31961 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.81641 9.30565 7.14122 9.3338 6.2981 7.61501 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.17727 7.70951 9.60309 10.6472 5.09064 8.18174 numMergedOcc 0
