0 mol 10 unq 0 iso 0 dist 6.05338 8.16906 4.27432 4.84364 6.50154 8.7908 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.78264 7.49794 12.428 13.819 18.4576 8.14245 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.78264 7.49794 12.428 11.8742 14.6484 6.36817 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.78264 7.49794 12.428 5.44298 9.22549 8.0812 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.78264 7.49794 12.428 9.10301 14.0989 4.17933 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 6.78264 7.49794 12.428 7.24268 12.7177 5.54893 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.80334 5.43913 5.67204 5.39197 8.44353 8.65524 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 8.80334 5.43913 5.67204 9.53255 6.11249 8.96151 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 8.80334 5.43913 5.67204 7.75132 7.86326 9.02535 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 8.80334 8.26877 4.28224 5.39197 8.44353 8.22812 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 8.80334 8.26877 4.28224 9.53255 6.11249 4.22002 numMergedOcc 0
11 mol 48 unq 10 iso 0 dist 8.80334 8.26877 4.28224 7.75132 7.86326 5.77855 numMergedOcc 0
12 mol 48 unq 11 iso 0 dist 8.80334 8.26877 4.28224 14.2848 9.41827 8.10774 numMergedOcc 0
13 mol 48 unq 12 iso 0 dist 8.80334 8.26877 4.28224 12.4977 4.74786 6.5241 numMergedOcc 0
14 mol 48 unq 13 iso 0 dist 9.38206 7.99434 8.2052 12.2756 15.8045 8.22812 numMergedOcc 0
15 mol 48 unq 14 iso 0 dist 9.38206 7.99434 8.2052 8.12843 11.7866 4.22002 numMergedOcc 0
16 mol 48 unq 15 iso 0 dist 9.38206 7.99434 8.2052 8.16676 13.1473 5.77855 numMergedOcc 0
17 mol 48 unq 16 iso 0 dist 9.38206 7.99434 8.2052 9.72202 14.0917 8.10774 numMergedOcc 0
18 mol 48 unq 17 iso 0 dist 9.38206 7.99434 8.2052 12.7252 13.0917 6.5241 numMergedOcc 0
19 mol 48 unq 18 iso 0 dist 8.45484 7.49794 4.12075 13.819 9.38938 8.14245 numMergedOcc 0
20 mol 48 unq 19 iso 0 dist 8.45484 7.49794 4.12075 11.8742 4.53565 6.36817 numMergedOcc 0
21 mol 48 unq 20 iso 0 dist 8.45484 7.49794 4.12075 5.44298 8.53722 8.0812 numMergedOcc 0
22 mol 48 unq 21 iso 0 dist 8.45484 7.49794 4.12075 9.10301 6.15814 4.17933 numMergedOcc 0
23 mol 48 unq 22 iso 0 dist 8.45484 7.49794 4.12075 7.24268 7.70284 5.54893 numMergedOcc 0
24 mol 68 unq 0 iso 0 dist 8.18002 5.26566 8.14072 5.08181 9.34293 7.7485 numMergedOcc 0
25 mol 68 unq 1 iso 0 dist 7.07032 5.26566 5.54348 5.08181 11.4724 7.7485 numMergedOcc 0
26 mol 107 unq 0 iso 0 dist 9.31826 7.2168 6.48911 8.41816 14.1209 8.88124 numMergedOcc 0
27 mol 107 unq 1 iso 0 dist 9.31826 7.2168 6.48911 15.3177 11.7167 8.19484 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 8.22353 9.99012 4.19541 11.9534 8.08798 4.3855 numMergedOcc 0
29 mol 143 unq 1 iso 0 dist 8.57285 5.33772 4.19541 5.08025 8.08798 4.3855 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 7.741 9.26192 12.4991 13.8736 19.3232 9.93489 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 7.741 9.26192 12.4991 6.40044 13.5659 7.64057 numMergedOcc 0
32 mol 204 unq 2 iso 0 dist 9.01377 8.77524 14.6896 10.6524 14.9791 8.32259 numMergedOcc 0
33 mol 204 unq 3 iso 0 dist 9.01377 8.77524 14.6896 9.88337 12.9977 9.93489 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 6.96139 9.53899 4.00138 6.49466 7.72298 7.42759 numMergedOcc 0
35 mol 254 unq 0 iso 0 dist 8.5372 9.84028 6.19835 11.4342 7.23916 7.85841 numMergedOcc 0
36 mol 254 unq 1 iso 0 dist 8.5372 9.84028 6.19835 11.2466 6.12653 9.20109 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 7.58405 6.90472 6.03233 11.9315 10.0128 8.62655 numMergedOcc 0
38 mol 260 unq 1 iso 0 dist 7.26115 6.90472 7.66564 11.9315 14.7837 8.62655 numMergedOcc 0
39 mol 285 unq 0 iso 0 dist 7.61398 4.95596 5.88535 4.57431 9.74003 5.88958 numMergedOcc 0
40 mol 285 unq 1 iso 0 dist 7.61398 6.3508 10.021 4.57431 9.74003 7.78121 numMergedOcc 0
