0 mol 26 unq 0 iso 0 dist 6.42206 9.08976 6.66387 4.76147 6.88695 9.16962 7.34549 5.3315 11.887 8.34347 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.68381 7.13638 10.3974 12.5529 6.36193 16.3613 12.818 5.40367 13.9007 6.62496 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.68381 7.13638 10.3974 8.47822 4.88613 12.7237 12.818 5.40367 13.9007 6.35756 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.65313 8.21985 10.2546 8.19638 9.22002 13.9677 11.2566 6.16737 15.322 6.65721 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 8.65313 8.21985 10.2546 7.43426 7.52103 14.1565 11.2566 6.16737 15.322 6.72123 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 4.90079 9.25984 5.51994 4.53359 7.75811 10.2947 6.31203 4.8042 4.88519 5.83409 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.21127 9.36283 12.8154 6.86762 5.02717 11.8557 12.9567 5.28901 16.5921 7.30858 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.21127 9.36283 12.8154 6.86762 5.02717 11.8557 5.11612 6.75472 6.34759 5.83991 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 8.21127 9.36283 12.8154 6.86762 5.02717 11.8557 11.7895 11.0268 10.1863 7.88312 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.87505 9.02079 4.72188 8.50937 5.49877 8.74308 12.4719 3.96103 6.76754 8.70949 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 5.76319 7.85296 4.55808 7.23208 9.99314 11.6278 10.2561 6.70722 7.02839 9.62191 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 5.30132 8.2841 4.55808 11.373 9.99314 11.6278 11.7823 6.70722 7.02839 9.62191 numMergedOcc 0
12 mol 196 unq 2 iso 0 dist 8.36119 8.2424 4.55808 4.76275 9.99314 11.6278 8.69629 6.70722 7.02839 9.62191 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.61428 9.13022 8.59287 5.77573 9.13537 12.0632 12.0065 10.3859 16.4866 6.57393 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.83706 5.68415 7.53102 9.03495 6.42725 6.77938 10.0986 8.70769 4.99891 5.30224 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 8.09021 7.74463 5.55314 4.75685 9.772 6.34034 6.78702 5.75478 6.43013 8.4218 numMergedOcc 0
16 mol 265 unq 1 iso 0 dist 6.98451 5.88787 6.97049 11.5105 9.772 12.4545 8.59825 5.75478 5.51535 8.4218 numMergedOcc 0
