0 mol 56 unq 0 iso 0 dist 7.11102 7.39536 7.3576 14.0262 11.2895 6.77886 10.1056 10.4286 6.99108 10.0962 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 8.48054 11.4735 7.3576 17.7498 11.2895 6.77886 14.0226 10.4286 6.99108 10.0962 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 8.47416 12.4295 9.4871 14.2261 9.23701 7.9233 17.3735 11.0435 7.6433 5.38908 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.27456 4.39271 6.00564 11.847 6.62562 8.00777 10.4828 4.58085 8.70863 11.165 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.27456 4.39271 6.00564 9.89682 5.46695 7.1589 10.4828 4.58085 8.70863 9.29301 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.98606 7.07175 9.93806 7.5819 5.44942 8.65802 10.5329 11.3027 8.57827 13.534 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.98606 7.07175 9.93806 7.5819 5.44942 8.65802 10.8943 4.64144 7.94453 5.83515 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.46162 6.64646 7.7186 6.40546 4.72999 7.99623 8.4733 11.7528 9.9151 7.45148 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.99034 5.5367 6.00293 9.97921 5.05715 6.20182 12.0536 8.06906 7.14263 4.20425 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 8.99034 5.5367 6.00293 9.97921 5.05715 6.20182 8.63323 6.76865 8.57005 6.07158 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 12.4261 13.4456 8.0154 14.3353 11.3868 8.05247 6.29885 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.49856 6.61278 6.59925 12.4261 13.4456 8.0154 13.6335 11.3992 9.71028 7.27408 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.25305 8.4512 6.61806 16.8184 12.2848 8.44861 10.768 11.0113 9.17946 13.0658 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.25305 8.4512 6.61806 12.7788 9.41884 5.60393 10.768 11.0113 9.17946 14.4523 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 7.03647 9.67929 9.18343 16.4096 11.7207 8.87609 13.0845 6.88681 9.23935 5.76292 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 7.03647 9.67929 9.18343 16.4096 11.7207 8.87609 9.79196 4.55231 7.77552 8.21235 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 11.3536 10.3804 6.41286 12.5468 11.3876 8.34416 6.33877 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 8.74988 4.97784 7.81987 11.3536 10.3804 6.41286 10.4536 6.78617 6.34832 5.0515 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.4485 4.88527 8.65191 10.6749 9.34197 6.70815 8.12414 6.08477 9.91199 10.8558 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 8.4485 4.88527 8.65191 11.4077 8.40328 7.99477 8.12414 6.08477 9.91199 13.2927 numMergedOcc 0
