0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 4.46394 5.96346 6.859 11.7593 10.7734 9.74251 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.95165 6.50001 4.10106 4.46394 5.96346 6.859 7.95811 9.62262 6.56765 7.46578 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 12.1061 8.4051 9.84204 18.4559 12.176 14.7634 6.72323 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.11056 8.94703 4.79736 11.095 8.60554 13.0764 16.6031 14.012 18.0797 6.72323 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 4.32173 6.16347 5.20109 8.78181 6.08585 3.904 6.25843 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.6396 5.77745 6.47509 4.32173 7.45383 5.20109 8.78181 5.77929 3.904 6.25843 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.6396 5.77745 6.47509 16.0077 9.01548 12.506 8.78181 5.77929 3.904 8.88938 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.88413 8.27137 11.4148 10.7087 7.55264 9.35791 11.6272 10.8498 5.46578 6.25843 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 8.88413 8.27137 11.4148 10.7087 7.55264 9.35791 18.0075 10.4337 16.9163 8.88938 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 9.96265 7.61923 6.16718 12.8967 9.6782 13.4061 12.7039 4.55437 10.5941 7.48846 numMergedOcc 0
10 mol 44 unq 1 iso 0 dist 9.70459 5.11941 6.16718 13.4256 9.6782 13.4061 13.31 4.55437 10.5941 7.48846 numMergedOcc 0
11 mol 44 unq 2 iso 0 dist 7.78905 5.84744 6.16718 9.64095 9.6782 13.4061 10.53 4.55437 10.5941 7.48846 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 7.43001 6.65501 4.62494 10.9995 7.06961 3.94967 6.88901 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.9747 7.34638 7.03983 7.43001 6.65501 9.84743 10.9995 7.06961 13.4954 6.88901 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 4.50572 6.0995 7.03983 9.5305 6.65501 9.84743 11.1541 7.06961 13.4954 6.88901 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 4.50572 9.25525 13.1657 9.5305 6.65501 17.7829 11.1541 7.06961 20.1796 6.88901 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.40546 5.90003 10.5082 5.73999 8.99399 9.6153 8.4733 7.45148 10.3622 7.20249 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 7.03404 6.28565 10.9495 12.672 10.7293 16.1557 9.73158 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 7.03404 6.28565 10.9495 11.6466 7.29399 13.4653 7.59327 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 6.38163 7.90844 12.3705 7.03404 6.28565 14.5783 12.672 10.7293 16.6234 9.73158 numMergedOcc 0
20 mol 129 unq 3 iso 0 dist 6.38163 7.90844 12.3705 7.03404 6.28565 14.5783 11.6466 7.29399 17.1197 7.59327 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 4.98945 9.61462 7.47964 8.81813 11.5561 11.4851 5.25109 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 6.07091 6.51523 7.5383 4.98945 9.61462 7.47964 10.1083 10.844 12.9811 8.21618 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.32451 9.99194 5.27215 16.2294 8.94014 12.1725 11.4318 5.50308 10.3346 5.92374 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 7.65388 9.11416 6.89444 4.38246 5.50492 10.238 8.57917 7.6169 10.7916 7.95359 numMergedOcc 0
25 mol 244 unq 1 iso 0 dist 7.65388 9.11416 6.89444 4.38246 5.50492 10.238 5.79898 5.17744 5.30519 6.22122 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 6.70266 9.45514 9.65868 9.44134 6.52035 10.7442 7.75216 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 6.55855 4.97796 8.87855 5.15747 6.39866 8.60027 9.11072 6.16703 13.3632 6.88827 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 6.55855 4.97796 8.87855 5.15747 6.39866 8.60027 6.83113 5.64601 5.39432 9.16942 numMergedOcc 0
29 mol 274 unq 3 iso 0 dist 9.52894 4.97796 13.0867 6.70266 7.1729 9.65868 9.44134 5.71192 10.7442 7.75216 numMergedOcc 0
30 mol 274 unq 4 iso 0 dist 9.71801 7.15079 11.4471 4.36131 8.52587 10.0206 9.02071 6.20558 9.78219 6.88827 numMergedOcc 0
31 mol 274 unq 5 iso 0 dist 9.71801 7.15079 11.4471 4.36131 8.52587 10.0206 11.74 16.3619 15.1209 9.16942 numMergedOcc 0
