0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 14.2251 10.4406 6.15923 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.6994 8.13129 6.40255 5.08793 9.23213 6.15923 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.15528 9.07223 6.40255 10.4498 9.23213 6.15923 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 8.96553 5.89134 4.41134 4.85329 10.2611 5.99042 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 6.29685 10.2062 9.85515 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 8.38064 7.876 5.88545 5.90976 8.21493 9.90484 numMergedOcc 0
6 mol 15 unq 2 iso 0 dist 9.97507 7.876 8.20465 6.29685 15.3099 9.85515 numMergedOcc 0
7 mol 15 unq 3 iso 0 dist 9.97507 7.876 8.20465 5.90976 7.12903 9.90484 numMergedOcc 0
8 mol 15 unq 4 iso 0 dist 6.82505 8.63502 8.20465 11.2052 15.3099 9.85515 numMergedOcc 0
9 mol 15 unq 5 iso 0 dist 6.82505 8.63502 8.20465 5.51916 7.12903 9.90484 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.5589 7.56581 8.17454 6.91765 5.02241 9.34242 numMergedOcc 0
11 mol 54 unq 1 iso 0 dist 6.83299 9.22021 8.17454 5.06052 5.02241 9.34242 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.36773 6.066 6.81076 5.90098 9.15979 9.64465 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 9.36773 6.066 6.81076 6.95868 9.2603 8.01572 numMergedOcc 0
14 mol 88 unq 2 iso 0 dist 8.31336 9.36032 6.81076 4.58465 9.15979 9.64465 numMergedOcc 0
15 mol 88 unq 3 iso 0 dist 8.31336 9.36032 6.81076 6.97239 9.2603 8.01572 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 9.35224 7.5951 6.35939 5.69137 6.58204 6.60772 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 6.56369 7.5951 4.46114 5.69137 7.75343 6.60772 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.14887 5.72373 10.2773 4.77464 11.7714 6.11979 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 9.30299 5.72373 10.7123 4.77464 9.81878 6.11979 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.29945 6.95549 5.32538 9.11521 9.52634 9.37196 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 9.29945 6.95549 5.32538 11.8699 13.5302 8.57742 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 7.03423 7.38552 5.31837 4.45935 9.85783 9.42987 numMergedOcc 0
23 mol 229 unq 1 iso 0 dist 9.06952 7.38552 4.74734 4.45935 12.5097 9.42987 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 10.6156 17.9259 9.76304 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 8.34494 7.72403 10.3378 15.0456 17.9927 8.83027 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 6.56247 7.72403 8.83842 10.6156 15.004 9.76304 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 6.56247 7.72403 8.83842 15.0456 17.6567 8.83027 numMergedOcc 0
28 mol 234 unq 4 iso 0 dist 9.36357 7.72403 5.43327 10.6156 10.8628 9.76304 numMergedOcc 0
29 mol 234 unq 5 iso 0 dist 9.36357 7.72403 5.43327 15.0456 12.6312 8.83027 numMergedOcc 0
30 mol 234 unq 6 iso 0 dist 9.45496 6.35438 8.83842 5.56749 15.004 9.76304 numMergedOcc 0
31 mol 234 unq 7 iso 0 dist 9.45496 6.35438 8.83842 12.1076 17.6567 8.83027 numMergedOcc 0
32 mol 234 unq 8 iso 0 dist 6.7625 6.35438 5.43327 5.56749 10.8628 9.76304 numMergedOcc 0
33 mol 234 unq 9 iso 0 dist 6.7625 6.35438 5.43327 12.1076 12.6312 8.83027 numMergedOcc 0
34 mol 234 unq 10 iso 0 dist 8.41436 7.27632 10.6728 5.9221 13.651 6.55256 numMergedOcc 0
35 mol 234 unq 11 iso 0 dist 8.92474 7.27632 5.3919 5.9221 10.521 6.55256 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 7.21521 9.12664 5.41499 5.51827 6.07192 8.79594 numMergedOcc 0
37 mol 248 unq 1 iso 0 dist 8.2965 6.51383 5.41499 9.29921 6.07192 8.79594 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 7.56915 6.93875 8.83823 6.8406 11.5594 6.44447 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 8.49997 6.93875 5.66046 6.8406 7.97444 6.44447 numMergedOcc 0
