0 mol 8 unq 0 iso 0 dist 6.27477 7.55301 8.99126 9.68072 7.08043 9.86938 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 15.7188 6.73162 10.1983 5.3315 9.97117 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 7.95969 6.73162 14.2961 5.3315 9.97117 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 9.24442 5.03719 7.72108 9.49354 7.79079 4.74654 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.91446 7.39527 4.76815 14.1553 5.89399 7.90328 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 9.41387 6.69306 6.62561 15.6763 10.4485 9.58171 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.76613 6.29379 7.20326 13.9719 11.1675 8.0578 numMergedOcc 0
7 mol 117 unq 2 iso 0 dist 8.76613 6.29379 7.20326 11.8028 6.7814 8.78982 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.32004 7.01214 7.44174 15.4621 11.0075 8.95838 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.32004 7.01214 7.44174 10.233 9.93013 9.47892 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.69757 12.4356 8.6243 8.74464 4.29914 9.90096 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 8.14907 7.79621 7.39644 10.8962 5.01007 8.02593 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 8.14907 7.79621 7.39644 16.1401 12.7814 8.77391 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 6.64164 6.90242 8.62646 8.01303 8.66436 9.19849 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.25528 14.3955 6.94688 16.4873 9.47799 8.45395 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.25528 14.3955 6.94688 13.8874 9.09989 9.15368 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.25528 14.3955 6.94688 9.40338 4.98009 9.20477 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 9.25528 15.6271 6.71012 16.4873 9.47799 5.41368 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 9.25528 15.6271 6.71012 13.8874 9.09989 7.96182 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 9.25528 15.6271 6.71012 9.40338 4.98009 7.90237 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 5.52981 10.2333 7.18041 15.0876 10.2817 8.27907 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 5.52981 6.48676 7.17547 9.42881 11.7195 7.90156 numMergedOcc 0
22 mol 218 unq 2 iso 0 dist 6.22077 6.48676 7.13323 9.42881 4.67327 7.90156 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.82174 12.5765 6.91569 19.5894 11.9794 9.88122 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.13194 14.751 9.29858 15.8518 9.18011 9.77231 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.62771 12.4266 9.68513 12.3224 15.3161 9.77231 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.80166 12.4266 9.29858 12.3224 9.18011 9.77231 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 7.90792 6.63358 7.32347 11.3445 14.3567 9.20119 numMergedOcc 0
28 mol 282 unq 1 iso 0 dist 7.90792 6.63358 7.32347 14.4311 10.0286 8.96997 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 9.6958 5.66912 7.34205 12.1509 11.2287 7.12793 numMergedOcc 0
30 mol 294 unq 1 iso 0 dist 9.6958 5.66912 7.34205 9.9758 6.45145 6.21208 numMergedOcc 0
