0 mol 5 unq 0 iso 0 dist 9.89833 9.83318 4.2849 13.345 13.3538 9.22027 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.3489 7.74463 5.04413 13.9362 9.06457 7.14537 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 7.3489 7.74463 5.04413 13.0737 12.4447 9.39486 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 7.71924 8.26334 4.98274 5.3571 7.71617 5.09702 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.02854 6.14248 8.66335 5.69691 8.5069 9.08825 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 8.34427 8.57774 13.2297 6.57177 14.7747 8.25397 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 7.9663 9.67398 9.69908 7.12852 7.06547 7.5573 numMergedOcc 0
7 mol 146 unq 0 iso 0 dist 5.36826 5.50187 6.11221 7.42348 11.942 7.78784 numMergedOcc 0
8 mol 146 unq 1 iso 0 dist 8.50225 5.50187 8.01939 7.42348 14.7506 7.78784 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 7.07348 9.53944 8.38939 8.17573 13.0344 9.10671 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.954 6.51243 5.09521 8.39434 9.95076 9.43904 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 8.954 6.51243 5.09521 4.92282 7.76112 7.01095 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.47689 8.39573 5.71744 10.7348 12.6071 9.92831 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 5.57184 9.67281 12.4194 5.36582 8.28643 4.66186 numMergedOcc 0
14 mol 251 unq 0 iso 0 dist 6.90276 6.17824 6.24693 12.3351 13.5376 9.02417 numMergedOcc 0
15 mol 251 unq 1 iso 0 dist 8.65339 8.07576 10.1422 5.04918 10.2087 9.02417 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.2783 9.24104 12.5851 6.30689 11.5687 5.02349 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 8.12294 6.78424 4.04978 5.1002 10.4298 8.1635 numMergedOcc 0
18 mol 292 unq 1 iso 0 dist 8.12294 7.32002 6.61186 5.1002 10.4298 6.22943 numMergedOcc 0
19 mol 292 unq 2 iso 0 dist 8.12294 7.32002 6.61186 7.99979 11.0707 9.31056 numMergedOcc 0
20 mol 292 unq 3 iso 0 dist 9.57857 9.24101 11.2641 6.03488 14.2536 7.89938 numMergedOcc 0
