0 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.07458 6.66407 7.24352 13.8936 11.4153 8.41793 9.50614 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 5.73819 8.60739 5.64171 5.07458 6.66407 7.24352 6.75943 4.96926 4.55347 8.34145 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 5.73819 8.44903 5.48048 4.96926 6.75943 7.15901 6.66407 5.07458 4.69849 8.34145 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.80331 9.93832 9.06158 10.8828 10.0168 7.24352 17.3252 16.2527 8.41793 9.50614 numMergedOcc 0
4 mol 43 unq 4 iso 0 dist 8.80331 9.93832 9.06158 10.8828 10.0168 7.24352 6.6263 5.41726 4.55347 8.34145 numMergedOcc 0
5 mol 43 unq 5 iso 0 dist 6.20293 8.60739 9.06158 5.07458 10.0168 7.24352 13.8936 16.2527 8.41793 9.50614 numMergedOcc 0
6 mol 43 unq 6 iso 0 dist 6.20293 8.60739 9.06158 5.07458 10.0168 7.24352 6.75943 5.41726 4.55347 8.34145 numMergedOcc 0
7 mol 43 unq 7 iso 0 dist 8.93915 8.60739 11.3891 5.07458 10.9975 7.24352 13.8936 15.8074 8.41793 9.50614 numMergedOcc 0
8 mol 43 unq 8 iso 0 dist 8.93915 8.60739 11.3891 5.07458 10.9975 7.24352 6.75943 10.0383 4.55347 8.34145 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 7.17396 8.64015 11.0904 6.08003 12.4823 7.17026 6.56212 7.31539 4.88345 8.66724 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 9.21998 8.64015 12.9211 6.08003 13.2239 7.17026 6.56212 11.1607 4.88345 8.66724 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 5.31547 10.9241 6.98037 12.8197 13.2926 8.11408 9.99441 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.64443 6.61823 7.24315 5.31547 9.36001 6.98037 12.8197 6.77937 8.11408 9.99441 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 10.5563 13.5845 5.43933 16.0815 16.3479 10.4065 6.96745 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 9.60462 9.92283 17.3924 12.6108 19.476 5.43933 19.115 26.3958 10.4065 6.96745 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 7.21225 10.4778 6.5739 6.93139 4.97996 6.76477 7.5573 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 8.70949 8.33077 5.97111 7.21225 10.4778 6.5739 10.5849 6.55883 8.57078 9.58633 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 16.4114 14.3561 8.48313 19.209 16.7968 11.1905 5.78982 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 7.41373 9.33094 5.11043 7.21868 8.06642 4.935 8.62504 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.86662 8.20836 5.12325 16.4114 9.71716 8.48313 19.209 10.7951 11.1905 5.78982 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 7.41373 8.69531 5.11043 7.21868 4.00092 4.935 8.62504 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.99315 7.25673 9.23795 4.78563 5.37047 8.612 5.40637 7.39837 6.78032 9.29944 numMergedOcc 0
22 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 4.78249 9.51256 5.13268 10.7199 5.7304 8.5768 8.75024 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 6.42973 7.06025 8.25282 9.79683 10.8974 7.323 7.86352 numMergedOcc 0
24 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 6.42973 10.0638 8.25282 9.79683 10.7218 7.323 7.86352 numMergedOcc 0
25 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 6.42973 13.2692 8.25282 9.79683 16.4394 7.323 7.86352 numMergedOcc 0
26 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 6.42973 15.0672 8.25282 9.79683 15.7071 7.323 7.86352 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 5.0317 10.7855 9.43618 11.595 9.61786 14.9695 8.85955 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 9.34734 8.03442 10.2525 5.0317 10.7855 9.43618 9.91384 10.012 11.2819 6.09335 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 7.22101 8.38865 11.0628 4.1511 9.91384 5.28771 5.23634 5.0317 7.3164 6.09335 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 11.595 4.664 14.9695 8.85955 numMergedOcc 0
31 mol 227 unq 4 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 9.91384 4.1511 11.2819 6.09335 numMergedOcc 0
32 mol 227 unq 5 iso 0 dist 8.65997 5.4694 11.0628 4.69247 9.91384 5.28771 6.91318 5.0317 7.3164 6.09335 numMergedOcc 0
33 mol 227 unq 6 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 11.595 8.49509 14.9695 8.85955 numMergedOcc 0
34 mol 227 unq 7 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 9.91384 4.69247 11.2819 6.09335 numMergedOcc 0
35 mol 227 unq 8 iso 0 dist 7.56888 8.03442 6.10296 5.0317 11.2661 9.43618 11.595 15.15 14.9695 8.85955 numMergedOcc 0
36 mol 227 unq 9 iso 0 dist 7.56888 8.03442 6.10296 5.0317 11.2661 9.43618 9.91384 13.4494 11.2819 6.09335 numMergedOcc 0
37 mol 227 unq 10 iso 0 dist 7.55216 8.03442 9.69537 5.0317 12.3663 9.43618 11.595 16.5958 14.9695 8.85955 numMergedOcc 0
38 mol 227 unq 11 iso 0 dist 7.55216 8.03442 9.69537 5.0317 12.3663 9.43618 9.91384 15.7786 11.2819 6.09335 numMergedOcc 0
39 mol 227 unq 12 iso 0 dist 7.09863 8.38865 12.9587 4.1511 10.3016 5.28771 5.23634 5.83175 7.3164 6.09335 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.81562 8.50331 7.22918 11.5307 16.0783 9.14068 15.106 14.2884 8.32937 8.93212 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 7.68742 8.50331 9.05842 11.5307 16.07 9.14068 15.106 17.3459 8.32937 8.93212 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 6.27581 8.50331 7.00028 11.5307 10.0129 9.14068 15.106 10.5937 8.32937 8.93212 numMergedOcc 0
43 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 13.2035 19.5824 7.14086 8.29262 10.7813 5.82131 9.78237 numMergedOcc 0
44 mol 264 unq 1 iso 0 dist 9.17653 6.14323 13.0621 13.2035 19.5824 7.14086 14.4964 16.103 10.0297 9.70101 numMergedOcc 0
45 mol 264 unq 2 iso 0 dist 9.17653 6.14323 13.0621 13.2035 19.5824 7.14086 13.4196 14.66 9.58444 9.95798 numMergedOcc 0
