0 mol 13 unq 0 iso 0 dist 9.82341 8.75871 10.7172 7.04754 15.5037 8.47514 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.82341 8.75871 10.7172 9.78361 16.3444 7.39086 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.35376 8.69021 13.0944 4.59736 11.9315 6.01053 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 6.60128 8.1366 13.0944 10.107 11.9315 6.01053 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 8.58489 8.29395 4.47536 9.3844 9.29842 7.39438 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.36315 8.07389 13.764 5.84171 15.1642 9.07906 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.36315 8.07389 13.764 9.30759 14.5057 8.75567 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 7.81392 5.94787 6.16572 10.1192 15.6713 9.854 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 7.81392 5.94787 6.16572 5.28824 12.5041 8.23749 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 9.15244 7.71402 12.7113 12.6052 19.3792 6.85239 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 9.15244 7.71402 12.7113 12.4033 17.371 5.72735 numMergedOcc 0
11 mol 167 unq 2 iso 0 dist 8.08948 7.71402 10.9557 12.6052 15.3782 6.85239 numMergedOcc 0
12 mol 167 unq 3 iso 0 dist 8.08948 7.71402 10.9557 12.4033 16.4611 5.72735 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 5.97162 8.13982 10.6238 4.70216 9.73745 9.37545 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 5.97162 8.13982 10.6238 6.13422 11.305 6.02579 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 6.38821 6.28518 6.34615 8.89771 13.0208 9.65041 numMergedOcc 0
16 mol 206 unq 1 iso 0 dist 5.98212 6.28518 7.07388 8.89771 6.18991 9.65041 numMergedOcc 0
17 mol 206 unq 2 iso 0 dist 7.16312 6.28518 3.76545 8.89771 8.68547 9.65041 numMergedOcc 0
18 mol 206 unq 3 iso 0 dist 7.21783 6.09565 8.54506 4.22704 10.5775 4.98125 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 7.79058 9.64316 10.1501 10.7618 14.9867 6.51465 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 8.19911 6.38041 8.43342 9.00146 11.0373 7.48298 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 6.55498 6.02774 3.62492 7.8112 10.867 7.97266 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 6.55498 6.02774 3.62492 13.2558 11.6108 8.89057 numMergedOcc 0
23 mol 285 unq 2 iso 0 dist 7.38219 6.02774 3.93543 7.8112 11.1503 7.97266 numMergedOcc 0
24 mol 285 unq 3 iso 0 dist 7.38219 6.02774 3.93543 13.2558 12.0105 8.89057 numMergedOcc 0
