0 mol 24 unq 0 iso 0 dist 8.52638 11.1972 6.94728 10.6622 5.11382 3.94196 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.52638 6.00701 9.33902 10.6622 5.11382 13.466 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 7.19354 13.8359 7.91009 10.525 4.95504 3.3881 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 7.19354 7.00649 4.39121 10.525 4.95504 3.93741 numMergedOcc 0
4 mol 81 unq 2 iso 0 dist 8.13994 5.15922 7.91009 4.40355 4.95504 3.3881 numMergedOcc 0
5 mol 81 unq 3 iso 0 dist 8.13994 5.04786 4.39121 4.40355 4.95504 3.93741 numMergedOcc 0
6 mol 81 unq 4 iso 0 dist 7.03253 11.899 7.91009 8.676 4.95504 3.3881 numMergedOcc 0
7 mol 81 unq 5 iso 0 dist 7.03253 5.68068 4.39121 8.676 4.95504 3.93741 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 8.13016 4.23441 5.68841 6.4659 8.51084 3.83194 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 8.13016 4.23441 5.68841 4.33993 5.53271 5.56913 numMergedOcc 0
10 mol 111 unq 2 iso 0 dist 8.03165 7.06663 5.68841 8.74843 8.51084 3.83194 numMergedOcc 0
11 mol 111 unq 3 iso 0 dist 8.03165 7.06663 5.68841 3.8652 5.53271 5.56913 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 7.78538 6.93921 8.56629 7.66715 7.65919 4.31929 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 7.78538 6.93921 8.56629 7.24165 8.55413 11.987 numMergedOcc 0
14 mol 116 unq 2 iso 0 dist 7.78538 5.27902 7.56091 7.66715 7.65919 3.39035 numMergedOcc 0
15 mol 116 unq 3 iso 0 dist 7.78538 5.27902 7.56091 7.24165 8.55413 6.88393 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 9.03533 4.33504 7.24083 7.20502 8.06631 6.49874 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 9.67836 7.45711 6.21825 7.28478 4.67031 3.71345 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 9.67836 7.45711 6.21825 7.5034 6.20326 6.55919 numMergedOcc 0
19 mol 176 unq 2 iso 0 dist 9.67836 7.45711 6.21825 3.71651 8.98043 8.25138 numMergedOcc 0
20 mol 176 unq 3 iso 0 dist 9.67836 7.45711 6.21825 3.75871 6.8243 7.10617 numMergedOcc 0
21 mol 176 unq 4 iso 0 dist 9.67836 7.45711 6.21825 6.03305 8.90797 10.5042 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 7.84874 8.34452 5.06731 13.2228 8.15636 6.00938 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 7.84874 8.34452 5.06731 7.92272 7.86292 4.88961 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.84874 8.34452 5.06731 13.2228 8.15636 6.00938 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 7.84874 8.34452 5.06731 7.92272 7.86292 4.88961 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 7.84874 8.34452 5.06731 13.2228 8.15636 6.00938 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 7.84874 8.34452 5.06731 7.92272 7.86292 4.88961 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.53718 8.42895 8.63523 7.31311 8.65363 14.0395 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 8.53718 8.42895 8.63523 3.69827 6.44588 9.96893 numMergedOcc 0
