0 mol 26 unq 0 iso 0 dist 9.15677 5.03531 6.33493 16.4682 8.34347 14.6069 15.7188 6.73162 11.9719 7.23546 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 10.6355 9.5589 14.4964 5.59128 5.02241 12.1135 6.91765 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 7.51978 7.18148 13.8618 6.43082 6.83299 10.2546 5.59128 5.02241 12.1135 5.06052 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 7.51978 7.18148 13.8618 11.7347 8.10861 18.5391 5.59128 5.02241 12.1135 10.1332 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.67586 8.90147 9.60641 5.03832 6.85766 12.3441 10.9894 6.71911 16.0853 7.29033 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 7.67586 8.90147 9.60641 11.7065 7.71095 16.1068 10.9894 6.71911 16.0853 5.33688 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 6.64164 9.5648 12.8624 5.361 9.87651 5.36671 6.90242 8.62646 11.4453 6.58937 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 6.31492 8.43599 11.1685 7.48422 9.31746 13.7148 5.37421 6.73313 12.0055 11.1088 numMergedOcc 0
8 mol 182 unq 1 iso 0 dist 7.8621 7.01577 6.1548 6.98787 9.31746 11.7531 13.0784 6.73313 12.8588 11.1088 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 7.92766 7.8518 6.49075 14.0488 7.10633 12.9966 13.2566 5.90931 9.58537 5.09262 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 7.92766 7.8518 6.49075 7.58285 8.51516 13.0232 13.2566 5.90931 9.58537 12.9483 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.80166 9.59909 14.2741 6.77788 5.72887 15.8637 12.4266 9.29858 12.9803 13.069 numMergedOcc 0
12 mol 249 unq 0 iso 0 dist 6.42827 6.32658 10.3504 8.22485 7.57994 14.0808 5.63238 8.83735 10.5843 5.23473 numMergedOcc 0
13 mol 249 unq 1 iso 0 dist 6.42827 6.32658 10.3504 6.77698 6.18582 12.9043 5.63238 8.83735 10.5843 7.38675 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 9.0081 9.02271 17.1121 10.6548 7.19465 15.0416 7.92528 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 5.25115 8.4218 10.2644 6.67645 6.34034 9.47153 6.43013 numMergedOcc 0
16 mol 265 unq 1 iso 0 dist 4.96568 7.71301 7.71667 5.25115 8.4218 5.7944 6.67645 6.34034 8.03604 6.43013 numMergedOcc 0
