0 mol 25 unq 0 iso 0 dist 9.86224 16.5113 6.85556 14.6002 5.68392 6.03987 15.5658 9.71382 10.3635 7.685 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.20373 15.0205 6.14538 10.042 4.29856 6.83299 12.6895 6.30987 5.06052 5.02241 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 5.67362 5.46309 9.25641 9.70415 13.5488 6.65721 10.4362 14.7343 5.83489 8.76003 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.1754 11.0907 7.10378 14.768 10.6848 7.17106 15.512 11.9163 5.01145 6.58204 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.21645 11.6494 8.00003 16.8793 10.4376 6.18601 18.3102 16.6554 9.35964 9.80862 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 9.21645 11.6494 8.00003 16.8793 10.4376 6.18601 19.2731 16.109 10.3457 8.43904 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 9.57532 12.1367 9.23858 13.63 9.89358 8.73993 13.4726 15.8603 10.6679 9.63176 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 8.61574 10.5726 9.23858 8.88255 9.89358 8.73993 10.06 15.8603 10.6679 9.63176 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.93309 10.4303 9.22232 15.5187 16.0138 7.11802 12.1124 12.3267 4.68409 7.92688 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 6.10069 9.92385 9.47433 15.4121 11.9952 7.44554 15.0838 13.7525 7.29758 6.27641 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 6.40435 11.0374 9.44367 10.2339 5.4555 7.44554 5.32985 5.81122 7.29758 6.27641 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 6.40435 9.75709 7.90267 10.2339 5.4555 8.94056 5.32985 5.81122 8.67156 6.27641 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.99409 5.114 8.90963 10.3907 9.81073 5.98885 7.55781 13.6646 5.4601 7.20046 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.99409 5.114 8.90963 10.3907 9.81073 5.98885 12.8388 15.9219 10.0524 7.13543 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 9.99409 5.114 8.90963 13.7299 9.34211 9.15386 10.168 5.95304 8.25067 9.6668 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 5.25309 7.07865 5.94469 9.79901 7.77758 7.81386 6.09218 7.05653 6.7991 4.93785 numMergedOcc 0
16 mol 181 unq 4 iso 0 dist 5.25309 7.07865 5.94469 13.7928 12.5387 7.63312 10.4024 10.6207 4.80231 6.93764 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 6.62013 7.24163 7.32294 11.513 5.86489 8.51516 16.8071 11.641 12.9483 5.90931 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.58118 5.1021 6.59716 6.21273 7.11498 9.23153 5.33649 9.7334 6.7067 6.84247 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 7.58118 5.1021 6.59716 6.21273 7.11498 9.23153 12.5011 13.5801 15.9568 6.99002 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 6.65275 5.841 5.41321 12.9898 10.9607 7.22101 10.2228 7.57454 6.43754 8.17891 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 6.65275 5.841 5.41321 14.1659 9.72615 8.65997 18.3925 14.0608 14.6185 9.62609 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 6.65275 5.841 5.41321 14.1659 9.72615 8.65997 10.2228 7.57454 6.43754 6.95902 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 6.65275 5.841 5.41321 7.71761 6.48027 7.55216 10.1071 13.792 11.662 8.83563 numMergedOcc 0
24 mol 227 unq 4 iso 0 dist 9.90065 9.69354 7.43071 13.7795 6.35849 7.22101 15.2952 12.2922 6.43754 8.17891 numMergedOcc 0
25 mol 227 unq 5 iso 0 dist 9.90065 9.69354 7.43071 17.4849 10.204 8.65997 23.7747 19.0662 14.6185 9.62609 numMergedOcc 0
26 mol 227 unq 6 iso 0 dist 9.90065 9.69354 7.43071 17.4849 10.204 8.65997 15.2952 12.2922 6.43754 6.95902 numMergedOcc 0
27 mol 227 unq 7 iso 0 dist 9.90065 9.69354 7.43071 11.3124 9.32448 7.55216 6.21519 10.4957 11.662 8.83563 numMergedOcc 0
28 mol 227 unq 8 iso 0 dist 9.90065 7.00512 6.02296 13.7795 6.35849 7.09863 15.2952 12.2922 9.13836 8.17891 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 6.47859 9.78463 9.01021 13.742 10.0842 7.00034 10.9676 10.9156 7.04058 7.20082 numMergedOcc 0
