0 mol 25 unq 0 iso 0 dist 9.41386 8.69224 5.8487 6.44262 11.3527 7.03372 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 4.71964 8.69224 9.34154 6.44262 7.6114 7.03372 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 6.58478 8.69224 12.624 6.44262 11.9721 7.03372 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 6.62508 5.98169 11.4558 9.50079 12.7132 8.95154 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.33273 7.52145 6.37026 5.27705 7.26268 8.91596 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 9.16481 8.35776 5.33785 10.2135 13.8141 8.91596 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.63443 8.96181 4.72216 5.52874 8.41778 7.4785 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.63443 8.96181 4.72216 9.02602 9.97819 6.39747 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 5.40287 8.96181 5.77163 5.52874 5.38524 7.4785 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 5.40287 8.96181 5.77163 9.02602 8.69057 6.39747 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 5.65006 5.61831 3.35924 5.66392 9.76346 7.61521 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 9.54537 8.57479 9.11654 4.31214 7.80898 9.07128 numMergedOcc 0
12 mol 88 unq 1 iso 0 dist 5.90605 5.43098 5.70431 9.86323 10.2942 6.65615 numMergedOcc 0
13 mol 88 unq 2 iso 0 dist 5.90605 5.43098 5.70431 5.3018 8.75244 5.07548 numMergedOcc 0
14 mol 88 unq 3 iso 0 dist 9.0645 5.43098 9.05425 9.86323 14.8469 6.65615 numMergedOcc 0
15 mol 88 unq 4 iso 0 dist 9.0645 5.43098 9.05425 5.3018 12.9702 5.07548 numMergedOcc 0
16 mol 107 unq 0 iso 0 dist 8.2411 4.99934 5.88785 9.85159 14.5329 9.45682 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 5.15951 4.30961 3.54756 7.12509 9.65809 7.44558 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.77567 7.71959 5.12696 5.29694 6.59889 7.55934 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.56218 8.19926 13.9771 11.8143 16.276 5.90765 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.30899 8.19926 11.6544 11.8143 13.141 5.90765 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 8.18482 9.55667 3.70259 5.11128 9.31526 9.7657 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 9.48525 7.22151 12.315 5.78711 12.5878 8.40074 numMergedOcc 0
23 mol 248 unq 0 iso 0 dist 6.79869 7.9475 3.56723 10.9904 10.6429 7.79063 numMergedOcc 0
24 mol 248 unq 1 iso 0 dist 6.79869 7.9475 3.56723 10.4923 10.9783 9.64778 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.34536 8.95095 6.41309 7.6323 10.8595 6.76495 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.34536 8.95095 6.41309 6.30874 9.17612 5.4557 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.61768 9.03099 5.95721 18.0944 14.7378 9.29666 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 8.20902 7.34927 10.5214 6.29035 13.3371 9.54359 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 8.20902 7.34927 10.5214 4.83355 12.1398 5.69112 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 7.95196 8.88717 11.9635 5.23192 10.8062 6.71946 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 6.759 9.84651 11.9635 9.00041 10.8062 6.71946 numMergedOcc 0
