0 mol 12 unq 0 iso 0 dist 7.68446 9.23849 5.44478 13.7296 8.15864 5.70264 16.9813 10.1259 8.59097 6.6051 numMergedOcc 0
1 mol 103 unq 0 iso 0 dist 7.95136 9.17593 5.72494 5.29804 7.66418 5.40051 5.8915 6.73664 8.70106 8.078 numMergedOcc 0
2 mol 103 unq 1 iso 0 dist 5.8915 9.17593 8.70106 5.29804 8.078 5.40051 7.95136 6.73664 5.72494 7.66418 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.79014 9.85586 9.15982 5.41029 6.54778 11.2753 12.5402 8.36743 16.2604 8.57909 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 5.33659 5.18629 7.78004 5.34994 6.08846 8.73734 10.5852 7.88461 9.43182 9.19171 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 5.33659 6.53332 6.53758 5.34994 6.08846 7.28525 10.5852 7.88461 5.23223 9.19171 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 6.4413 8.90222 5.86949 9.68187 9.18753 12.2411 14.0399 10.8037 15.8488 8.6953 numMergedOcc 0
7 mol 148 unq 1 iso 0 dist 6.4413 11.3382 6.72591 9.68187 9.18753 6.76353 14.0399 10.8037 8.60157 8.6953 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 6.62609 8.93873 5.84971 9.76535 9.15244 12.1573 14.2346 10.8647 15.8889 8.65967 numMergedOcc 0
9 mol 150 unq 1 iso 0 dist 6.62609 11.5334 6.80192 9.76535 9.15244 6.65519 14.2346 10.8647 8.59359 8.65967 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 8.21538 9.53929 9.42196 6.04551 8.85111 4.60682 12.9886 9.61687 7.03216 8.27913 numMergedOcc 0
11 mol 182 unq 1 iso 0 dist 8.21538 9.53929 9.42196 6.04551 8.85111 4.60682 5.63632 9.71185 10.7536 6.38335 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 8.01521 10.5365 9.20296 9.29575 6.38294 8.18227 15.755 8.74557 9.71306 9.47321 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.58174 8.01881 7.5696 10.9794 6.20044 9.55695 15.0667 8.63339 12.2383 6.62514 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.58174 8.01881 7.5696 10.9794 6.20044 9.55695 16.9923 11.09 17.4453 9.41996 numMergedOcc 0
15 mol 245 unq 0 iso 0 dist 8.03294 11.3485 7.1207 15.5115 7.95061 7.10254 23.2766 15.2703 16.5964 9.5096 numMergedOcc 0
