0 mol 13 unq 0 iso 0 dist 7.97656 6.67016 5.78148 13.2635 10.9884 9.10587 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.69454 4.20374 7.48847 10.596 8.19436 7.69625 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 13.3639 6.72502 19.3036 11.2106 9.40479 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.90845 13.3639 6.72502 5.78238 5.97304 9.38831 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.80741 4.7418 8.63486 11.5156 12.8132 6.91393 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 6.80741 4.7418 8.63486 12.7158 16.7219 8.40038 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.02288 6.28525 8.03303 13.4403 8.92736 8.58543 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.58544 5.32605 8.03303 7.99116 8.92736 8.58543 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.67936 6.4628 5.88354 11.9433 10.7735 7.63183 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.25817 6.4628 5.74854 11.9433 13.1711 7.63183 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 6.31633 5.70461 8.67766 13.0715 11.8348 9.92553 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 7.21115 5.70461 8.0831 13.0715 15.0307 9.92553 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.42766 16.5854 8.56342 10.1832 3.78311 8.03035 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.42766 9.58167 6.37542 10.1832 3.78311 7.6968 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 18.9595 15.7796 7.76594 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.5874 10.6416 9.29384 18.2246 15.7796 7.76594 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 15.2962 9.76015 8.26172 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.89982 10.4193 9.77552 12.0246 7.2238 6.39031 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.82249 5.16577 6.20182 8.16601 6.69868 8.53374 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 9.00898 11.9192 5.4969 5.32236 4.24624 7.32419 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 9.00898 11.0956 6.4318 5.32236 4.24624 8.31961 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.66381 12.2047 9.83476 11.5546 6.87725 8.12349 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 7.32478 14.1302 8.83356 19.128 13.0333 5.52678 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 7.32478 14.1302 8.83356 23.3161 18.6469 9.81666 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 9.48439 13.752 8.83356 18.5692 13.0333 5.52678 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 9.48439 13.752 8.83356 21.8708 18.6469 9.81666 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 9.17826 7.69431 8.03442 13.4281 11.0628 9.56257 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.71281 6.09244 6.39158 13.9106 5.72331 9.81305 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.71281 6.09244 6.39158 10.6449 8.33772 6.89118 numMergedOcc 0
29 mol 235 unq 2 iso 0 dist 9.2433 6.09244 7.75722 13.9106 12.6437 9.81305 numMergedOcc 0
30 mol 235 unq 3 iso 0 dist 9.2433 6.09244 7.75722 10.6449 5.70265 6.89118 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.31417 16.0652 7.32982 17.0145 10.7551 9.89583 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 5.56719 11.468 7.32982 13.9848 10.7551 9.89583 numMergedOcc 0
33 mol 251 unq 0 iso 0 dist 9.94161 13.5693 8.01198 13.9794 6.6269 8.53757 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 9.73021 7.37634 7.50201 6.88874 5.25252 8.55481 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.58088 13.2039 9.53063 14.7484 7.42673 6.47194 numMergedOcc 0
