0 mol 44 unq 0 iso 0 dist 9.52676 9.32021 7.03307 7.16036 4.55437 7.52117 9.5746 7.48846 5.1728 9.6782 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 6.72703 5.92019 6.99108 11.8625 10.0962 6.77886 13.2788 14.7378 8.25666 7.16773 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.43804 12.4403 8.43352 10.671 7.06961 7.26086 12.9299 6.88901 11.2092 6.65501 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 8.22984 6.16378 9.5669 5.09688 9.75737 7.12017 6.29383 14.4785 9.38256 7.38135 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 6.6157 5.69359 9.5669 9.26343 9.75737 7.12017 10.728 14.4785 9.38256 7.38135 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 7.37771 10.1726 9.5669 13.8622 9.75737 7.12017 15.4053 14.4785 9.38256 7.38135 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.74658 13.4383 8.50562 12.5659 13.7237 9.29384 20.4293 18.6956 10.8127 8.70296 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 8.74658 13.4383 8.50562 12.5659 13.7237 9.29384 10.5784 13.2952 11.2516 9.25558 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.14007 5.74529 6.94988 9.75558 9.43674 7.86572 9.62363 11.8798 5.38571 9.97343 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 6.97467 7.94812 7.46845 9.36561 5.81563 5.38091 14.0762 8.21184 12.4049 7.30357 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 6.97467 7.94812 7.46845 9.36561 5.81563 5.38091 12.9439 5.9976 11.7015 8.61587 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.90113 9.62474 8.21989 13.2827 9.0783 8.00506 12.3503 11.3082 4.56165 6.45896 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 5.6688 6.09526 7.11785 9.25528 5.6044 6.51749 15.4597 10.515 13.0913 8.90963 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.21588 10.2224 5.91727 7.92766 5.86489 6.85441 15.254 10.2072 5.42649 9.68728 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.47112 15.0925 9.17946 20.4933 14.4523 5.60393 22.2034 17.31 8.46033 5.44002 numMergedOcc 0
