0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 6.66589 7.86036 6.56189 4.70233 6.45344 10.361 9.71908 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 4.88114 9.04027 7.03689 6.66589 7.86036 6.22773 4.70233 6.45344 12.4173 9.71908 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.14952 9.02869 8.4061 5.83658 4.92824 5.37308 13.9246 7.7393 9.49373 8.23909 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.14952 9.02869 8.4061 5.83658 4.92824 5.37308 6.08819 10.1037 10.9761 6.72215 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 10.8964 12.8189 7.03264 6.6003 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.36667 8.70964 11.5923 8.24121 14.9981 6.57301 7.48749 15.3542 13.5863 9.74996 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 8.36667 8.70964 11.5923 8.52371 13.689 10.2661 7.48749 15.3542 13.5863 8.21667 numMergedOcc 0
7 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.26938 5.39287 5.30415 3.66319 11.3977 12.3694 8.50159 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 9.10245 5.63748 7.43534 5.26938 5.39287 5.507 3.66319 11.3977 8.5776 8.50159 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 5.16543 13.8231 12.2718 6.85381 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 4.45081 14.0674 10.451 8.64783 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 15.8417 13.0317 17.3256 8.40046 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 15.8912 9.58724 18.0183 7.31105 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 15.8912 9.58724 19.6341 7.31105 numMergedOcc 0
14 mol 220 unq 2 iso 0 dist 7.35148 6.39087 11.4142 7.30244 10.48 12.2765 11.8854 16.9395 12.8507 8.48112 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 7.34316 8.16187 8.64175 6.5658 10.9317 11.4192 7.82697 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 7.34316 8.16187 12.9895 6.5658 10.9317 13.9012 7.82697 numMergedOcc 0
17 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 7.34316 11.2364 8.64175 6.5658 11.6333 11.4192 7.82697 numMergedOcc 0
18 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 7.34316 11.2364 12.9895 6.5658 11.6333 13.9012 7.82697 numMergedOcc 0
19 mol 223 unq 4 iso 0 dist 7.80764 6.97426 12.6805 7.34316 11.4951 8.64175 6.5658 12.3717 11.4192 7.82697 numMergedOcc 0
20 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 7.34316 11.4951 12.9895 6.5658 12.3717 13.9012 7.82697 numMergedOcc 0
21 mol 223 unq 6 iso 0 dist 5.75896 6.97426 10.6184 7.34316 5.18719 8.64175 6.5658 7.22882 11.4192 7.82697 numMergedOcc 0
22 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 7.34316 5.18719 12.9895 6.5658 7.22882 13.9012 7.82697 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.88683 9.24729 11.0843 8.33847 6.87235 12.2372 11.47 12.7053 18.7753 8.49299 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 9.13126 4.71683 8.3795 6.73134 6.0258 7.41812 10.1358 10.4188 13.6596 8.77254 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 9.67877 5.09738 13.3533 9.0655 7.66806 14.766 5.73296 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 9.67877 5.09738 15.0574 9.0655 7.66806 15.9916 5.73296 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 9.67877 10.4667 13.3533 9.0655 11.0415 14.766 5.73296 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 9.67877 10.4667 15.0574 9.0655 11.0415 15.9916 5.73296 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 7.15785 4.50761 6.43209 6.13416 9.50269 8.69675 9.62828 numMergedOcc 0
