0 mol 12 unq 0 iso 0 dist 6.05244 9.23849 7.4036 5.12292 6.96422 11.6972 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.69142 6.19189 7.89222 14.1116 7.3022 14.0527 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.01993 5.32341 9.53735 4.71045 7.22361 5.19563 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.01993 5.32341 9.53735 14.5668 6.15893 14.2716 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.01993 17.2813 9.34599 4.71045 7.22361 14.7857 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 9.01993 17.2813 9.34599 14.5668 6.15893 7.23962 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 8.43523 16.2881 7.89222 6.23975 7.3022 14.0527 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 8.4436 13.0672 8.04708 9.57623 6.24515 5.70213 numMergedOcc 0
8 mol 39 unq 1 iso 0 dist 8.4436 13.0672 8.04708 6.16075 6.47855 10.1297 numMergedOcc 0
9 mol 46 unq 0 iso 0 dist 8.12513 7.71151 8.5377 10.2582 6.61977 6.20913 numMergedOcc 0
10 mol 46 unq 1 iso 0 dist 6.9762 10.4607 8.5377 4.92196 6.61977 6.20913 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.21813 12.3905 7.43804 4.34749 6.0129 11.1769 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 7.89276 6.32557 7.43804 13.6222 6.0129 11.1769 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 7.35647 15.106 9.96946 9.17181 6.90634 6.91022 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 4.88366 12.7548 9.96946 8.0835 6.90634 6.91022 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.29665 15.3512 9.32254 13.6142 6.87262 6.41401 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.08086 11.3977 9.32254 5.97803 6.87262 6.41401 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 5.42285 5.24063 6.97467 5.75246 6.05323 9.32932 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.0685 6.34399 8.89293 9.48246 8.97471 6.29996 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 9.6509 10.3814 7.45329 5.73928 9.33695 5.79318 numMergedOcc 0
20 mol 189 unq 1 iso 0 dist 9.6509 10.3814 7.45329 7.24071 6.31466 4.88868 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.45021 14.3715 8.85568 14.171 9.28891 5.31715 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 5.02385 5.00251 7.37358 7.9872 9.24367 10.1998 numMergedOcc 0
