0 mol 10 unq 0 iso 0 dist 7.57901 5.02729 5.59965 5.76822 9.43029 4.99208 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.05244 5.92892 5.76024 10.7889 9.90835 5.21529 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.05244 4.80294 7.92714 10.7889 9.90835 9.7731 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 6.05244 10.6891 8.47217 10.7889 9.90835 5.41989 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 6.29581 6.92643 5.86181 14.4254 9.07213 10.2902 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 6.29581 12.586 6.3253 14.4254 9.07213 5.22924 numMergedOcc 0
6 mol 20 unq 2 iso 0 dist 6.29581 9.82353 5.80568 14.4254 9.07213 9.92781 numMergedOcc 0
7 mol 20 unq 3 iso 0 dist 5.21143 7.05618 5.86181 13.6328 9.07213 10.2902 numMergedOcc 0
8 mol 20 unq 4 iso 0 dist 5.21143 10.3161 6.3253 13.6328 9.07213 5.22924 numMergedOcc 0
9 mol 20 unq 5 iso 0 dist 5.21143 5.82005 5.80568 13.6328 9.07213 9.92781 numMergedOcc 0
10 mol 21 unq 0 iso 0 dist 8.90496 10.0083 8.60289 4.2995 5.63735 6.29572 numMergedOcc 0
11 mol 21 unq 1 iso 0 dist 8.90496 10.0083 8.60289 8.74733 6.28263 5.55622 numMergedOcc 0
12 mol 26 unq 0 iso 0 dist 8.69142 13.7478 6.93197 4.18634 6.07276 10.1622 numMergedOcc 0
13 mol 26 unq 1 iso 0 dist 9.01993 11.194 7.35861 6.14353 9.36924 6.88067 numMergedOcc 0
14 mol 26 unq 2 iso 0 dist 8.43523 11.2171 6.93197 12.7209 6.07276 10.1622 numMergedOcc 0
15 mol 46 unq 0 iso 0 dist 8.12513 5.62202 8.0543 12.0488 5.96231 10.324 numMergedOcc 0
16 mol 46 unq 1 iso 0 dist 6.9762 10.5748 8.0543 6.50598 5.96231 10.324 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 8.6492 6.90833 8.97364 6.39094 6.63448 5.85676 numMergedOcc 0
18 mol 68 unq 0 iso 0 dist 6.27321 11.3732 6.74766 3.62638 7.98985 12.5617 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 5.20528 12.9555 9.66222 4.78636 5.05893 11.0952 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 5.20528 12.9555 9.66222 7.24335 5.71866 12.5181 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 9.86487 11.57 7.80873 4.9759 8.72725 8.72143 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 9.86487 11.57 7.80873 6.59976 6.11407 5.08111 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 8.49444 13.2576 6.6317 9.55465 9.30645 9.74974 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 9.63085 7.37795 5.87084 13.1596 7.75314 6.11089 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.85849 6.64576 6.40575 15.9796 9.0176 15.0575 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.08299 5.87436 6.40575 11.6261 9.0176 15.0575 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 6.10556 4.96213 6.83404 6.83215 5.92302 10.0208 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 9.01017 5.06341 7.32087 6.22666 9.06571 5.3698 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 9.01017 5.06341 7.32087 5.43915 7.35884 6.39406 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 9.54437 14.4514 7.32087 12.0937 9.06571 5.3698 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 9.54437 14.4514 7.32087 9.71832 7.35884 6.39406 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 6.71675 11.5379 7.54099 8.04827 7.81263 7.81466 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 8.25221 11.3395 8.26288 4.85767 9.40971 11.3394 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 8.25221 8.47522 6.60053 4.85767 9.40971 5.80651 numMergedOcc 0
35 mol 192 unq 2 iso 0 dist 6.64416 8.47522 9.36796 4.85767 9.8428 5.80651 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 7.51337 7.6183 8.37739 4.36059 6.94762 3.94409 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 7.51337 7.6183 8.37739 14.1026 9.89167 8.31193 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 7.51337 11.0788 9.47237 4.36059 6.94762 6.88465 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 7.51337 11.0788 9.47237 14.1026 9.89167 6.8122 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 5.58036 10.8477 6.33496 5.52853 6.85663 8.60707 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 5.58036 9.95403 6.00636 5.52853 6.85663 9.39697 numMergedOcc 0
42 mol 256 unq 2 iso 0 dist 5.58036 7.21464 7.81448 5.52853 6.85663 4.05082 numMergedOcc 0
43 mol 256 unq 3 iso 0 dist 5.58036 10.4702 8.54499 5.52853 6.85663 6.63324 numMergedOcc 0
44 mol 260 unq 0 iso 0 dist 4.76698 11.9795 9.32954 4.87707 6.75725 9.07649 numMergedOcc 0
45 mol 260 unq 1 iso 0 dist 4.76698 11.9795 9.32954 14.0463 9.31888 9.46408 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 6.74022 8.85159 6.88827 11.3961 8.60027 13.3632 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 6.74022 9.16187 9.16942 11.3961 8.60027 5.39432 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 6.71956 7.01915 8.20644 10.3171 9.26157 16.0346 numMergedOcc 0
