0 mol 1 unq 0 iso 0 dist 6.41817 11.6758 7.46399 7.49891 7.83632 9.72712 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 5.80623 8.21453 7.18409 10.1283 7.60283 14.335 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 5.80623 6.8422 6.21163 10.1283 7.60283 8.38749 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 7.24775 14.1996 7.18409 3.71754 7.60283 14.335 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 7.24775 10.2292 6.21163 3.71754 7.60283 8.38749 numMergedOcc 0
5 mol 37 unq 0 iso 0 dist 7.27697 10.3822 7.65758 6.64597 6.84337 4.68181 numMergedOcc 0
6 mol 37 unq 1 iso 0 dist 7.27697 10.3822 7.65758 5.26574 8.915 8.64141 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 5.0478 10.6593 5.7405 5.59128 6.30987 10.352 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 7.52378 11.0121 9.78973 6.48665 5.84875 4.86374 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 7.25041 6.27103 9.32664 5.40087 9.52519 11.6535 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.22984 11.2351 9.95103 12.1174 7.09065 7.59628 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.6157 8.46662 9.95103 7.39527 7.09065 7.59628 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 7.37771 10.5049 9.95103 5.22124 7.09065 7.59628 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.87901 8.22734 9.5002 7.80268 9.07734 4.95298 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 7.85045 9.09348 6.63731 4.98814 7.35992 5.47265 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 7.85045 9.09348 6.63731 9.53721 6.49383 7.15601 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.45931 5.49686 7.35385 14.0561 7.31037 10.3678 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 6.49728 13.8322 7.35385 9.31967 7.31037 10.3678 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 7.93807 10.8805 9.69399 6.77802 7.80054 6.28495 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 7.45329 6.58275 9.71563 5.79318 9.33695 9.43679 numMergedOcc 0
20 mol 189 unq 1 iso 0 dist 7.45329 6.58275 9.71563 4.88868 6.31466 5.87044 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.85568 9.22288 7.17024 5.31715 9.28891 9.78034 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 7.06589 14.3975 9.6479 10.6548 9.58354 15.4561 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 8.70383 12.7693 9.6479 3.494 9.58354 15.4561 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 7.37358 10.6703 8.16582 10.1998 9.24367 7.28266 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 9.52718 15.6724 8.9316 9.81184 5.59555 5.89971 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 9.52718 15.6724 8.9316 9.81184 5.59555 5.89971 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.52718 15.6724 8.9316 9.81184 5.59555 5.89971 numMergedOcc 0
