0 mol 1 unq 0 iso 0 dist 6.4181 7.90928 5.11735 6.35409 10.488 8.56884 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.36377 9.05346 6.2983 4.78943 5.05803 7.03948 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.36377 9.05346 6.2983 5.48395 6.31718 5.47769 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 6.36377 9.05346 6.2983 10.1011 10.9143 6.58035 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.88695 9.97117 7.23546 5.3315 8.34347 6.73162 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.05508 8.17564 14.134 10.6918 16.1832 6.23899 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.00229 8.17564 14.9359 10.6918 19.1676 6.23899 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 7.7978 8.68726 6.7583 10.8906 13.9238 8.24062 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.44916 9.4909 5.7835 8.66126 12.5905 8.30646 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 7.74197 5.82918 6.95868 4.0486 9.36773 9.2603 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 7.86537 5.82918 6.97239 4.0486 8.31336 9.2603 numMergedOcc 0
11 mol 88 unq 2 iso 0 dist 6.35462 5.82918 4.37348 4.0486 10.3436 9.2603 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 6.48328 5.58063 4.51489 5.24961 9.55515 7.64585 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 6.90827 9.58171 4.91401 10.4485 7.90328 6.62561 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 6.90827 9.58171 4.91401 5.27151 7.83136 7.63616 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.31125 9.90096 6.19596 4.29914 7.12972 8.6243 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.31125 9.90096 6.19596 5.59449 6.85062 6.91348 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 6.7973 9.16944 4.9093 5.01118 6.23493 9.17284 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 6.7973 9.16944 4.9093 10.1253 12.1555 9.87281 numMergedOcc 0
19 mol 155 unq 2 iso 0 dist 6.7973 9.16944 4.9093 9.88413 11.6934 8.87452 numMergedOcc 0
20 mol 155 unq 3 iso 0 dist 4.44292 7.62575 5.40375 14.7279 13.5605 9.86313 numMergedOcc 0
21 mol 155 unq 4 iso 0 dist 4.44292 7.62575 5.40375 10.4606 10.7829 7.51198 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 5.59806 9.19849 6.58937 8.66436 9.87651 8.62646 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 8.1088 9.56248 13.5291 8.11337 15.6765 7.93331 numMergedOcc 0
24 mol 173 unq 1 iso 0 dist 8.1088 9.56248 13.5291 10.8336 16.9856 6.98095 numMergedOcc 0
25 mol 173 unq 2 iso 0 dist 8.1088 9.56248 13.5291 10.6484 17.7194 8.31897 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 9.58911 8.45395 10.5753 9.47799 9.94371 6.94688 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.58911 5.41368 5.88819 9.47799 9.94371 6.71012 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 9.84952 6.17129 6.7991 4.3158 7.81386 4.93785 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 7.41378 5.83596 8.35755 4.3226 9.81747 4.93785 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.0843 8.27907 6.05563 10.2817 10.3145 7.18041 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 7.73315 8.27907 9.68444 10.2817 10.9501 7.18041 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 6.9398 8.27907 11.4148 10.2817 14.7187 7.18041 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 7.85877 7.35476 12.2813 4.82768 7.21333 6.82208 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.07872 8.82471 16.8875 10.9746 16.3967 5.86443 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 9.11256 8.19915 4.65302 6.84447 5.4638 8.21247 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.66569 6.98151 6.04825 11.2013 9.99038 7.17676 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.66569 6.98151 6.04825 4.15973 6.27581 5.34718 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.24928 8.81534 6.20606 5.33567 6.57393 5.38637 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 6.24928 8.81534 6.20606 9.85437 11.101 6.55759 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 8.59074 9.46582 13.7993 9.23693 14.6111 7.67322 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 8.59074 9.77231 13.069 15.3161 12.8711 9.68513 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 8.59074 9.77231 13.069 9.18011 5.72887 9.29858 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 9.12507 8.46351 5.32839 5.59901 5.30224 7.76676 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 6.55855 8.62431 14.168 4.56913 10.7806 6.50589 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 9.52894 8.62431 17.7203 4.56913 13.5896 6.50589 numMergedOcc 0
