0 mol 15 unq 0 iso 0 dist 6.16274 5.46344 8.85174 10.1589 6.67334 9.51568 11.3556 11.3543 6.91314 9.29358 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.43515 3.96994 5.94756 9.56447 7.39653 5.81001 14.4096 15.0348 12.466 9.20119 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.09258 7.54321 6.21799 10.2171 6.11922 9.14817 10.0936 9.78528 7.47371 7.321 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 7.09258 5.2819 5.03251 10.2171 6.11922 9.76686 10.0936 9.78528 9.67587 7.321 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 7.09258 3.53164 7.66093 10.2171 6.11922 9.437 10.0936 9.78528 7.07356 7.321 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.79714 9.4173 8.13108 15.5744 10.963 9.4866 14.2347 10.0992 5.31985 6.21982 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.79714 9.4173 8.13108 15.5744 10.963 9.4866 23.1841 16.758 15.4159 8.19682 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.40871 10.8182 6.85523 11.4506 4.92509 5.47706 14.4077 11.3054 4.77202 8.30646 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 8.40871 3.48199 5.77326 11.4506 4.92509 8.07568 14.4077 11.3054 11.8801 8.30646 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.98848 10.1153 8.84018 12.7737 4.91401 9.94053 14.6144 7.90328 7.20875 6.62561 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 8.98848 10.1153 8.84018 12.7737 4.91401 9.94053 10.0436 7.83136 3.77029 7.63616 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.54454 3.75201 6.73504 9.03971 6.47974 7.59939 13.7762 15.173 13.8904 9.52936 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 7.54454 3.75201 6.73504 9.03971 6.47974 7.59939 10.3465 13.8822 10.3179 9.15417 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 7.18765 4.26432 9.10817 9.47487 5.2908 9.27218 17.6057 11.6759 17.0276 8.99696 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 7.41091 4.26432 6.86828 9.47487 6.23998 9.27218 17.6057 11.3819 17.0276 8.99696 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.33638 10.2403 7.46481 15.258 6.67959 8.70987 17.0758 8.85478 11.1534 7.46831 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 9.33638 10.2403 7.46481 15.258 6.67959 8.70987 17.3661 11.9355 7.19184 8.60247 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 4.94074 7.83075 8.51625 11.259 8.96098 6.01775 14.3617 15.159 6.8325 9.43203 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 7.17987 12.4759 7.81215 5.99388 5.56749 9.11572 5.19951 10.3625 13.1872 6.16063 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.09166 17.7087 9.08509 12.9754 5.17471 5.43613 6.74773 6.22714 12.7938 7.49471 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.09166 17.7087 9.08509 12.9754 5.17471 5.43613 9.48707 7.31233 11.0772 7.19008 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.89728 13.7396 5.85442 9.19369 5.79468 6.23661 5.07898 7.46176 10.067 7.48005 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.89728 13.7396 5.85442 9.19369 5.79468 6.23661 15.9608 11.858 7.09907 8.37865 numMergedOcc 0
