0 mol 12 unq 0 iso 0 dist 6.91627 7.86307 11.0859 6.7002 7.8865 14.4725 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.42206 9.08976 6.66387 4.76147 6.88695 9.16962 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.68381 7.13638 10.3974 12.5529 6.36193 16.3613 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.68381 7.13638 10.3974 8.47822 4.88613 12.7237 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.65313 8.21985 10.2546 8.19638 9.22002 13.9677 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 8.65313 8.21985 10.2546 7.43426 7.52103 14.1565 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 4.90079 9.25984 5.51994 4.53359 7.75811 10.2947 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 8.36172 9.58164 10.3999 5.33778 9.73174 9.24502 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.21127 9.36283 12.8154 6.86762 5.02717 11.8557 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.87505 9.02079 4.72188 8.50937 5.49877 8.74308 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 5.76319 7.85296 4.55808 7.23208 9.99314 11.6278 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 5.30132 8.2841 4.55808 11.373 9.99314 11.6278 numMergedOcc 0
12 mol 196 unq 2 iso 0 dist 8.36119 8.2424 4.55808 4.76275 9.99314 11.6278 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 7.9801 6.86439 9.92842 12.195 7.117 15.2425 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.61428 9.13022 8.59287 5.77573 9.13537 12.0632 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 6.83706 5.68415 7.53102 9.03495 6.42725 6.77938 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 8.09021 7.74463 5.55314 4.75685 9.772 6.34034 numMergedOcc 0
17 mol 265 unq 1 iso 0 dist 6.98451 5.88787 6.97049 11.5105 9.772 12.4545 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 6.86805 6.41474 10.0609 4.97892 8.59986 9.02188 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 8.74168 9.37278 5.9833 4.75339 9.56149 12.4313 numMergedOcc 0
20 mol 271 unq 1 iso 0 dist 8.74168 6.71956 8.74529 4.75339 9.56149 11.1285 numMergedOcc 0
