0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 10.8687 5.8961 9.52695 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 4.24301 6.35398 10.5034 5.71129 9.78754 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 15.9662 7.92503 13.0464 5.59268 7.05148 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.20538 3.63144 7.16773 10.2543 10.8619 8.85981 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.22002 12.7481 9.25641 16.2005 8.42799 6.94677 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.1599 7.46975 4.74544 15.5808 10.9596 8.2746 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.4545 12.49 8.18107 9.59503 4.73713 5.93987 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.4545 4.1125 5.9465 9.59503 4.73713 7.7913 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 7.01176 12.49 9.8859 9.59503 4.36394 5.93987 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 7.01176 4.1125 6.97962 9.59503 4.36394 7.7913 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.35636 9.51381 6.60933 17.5036 11.1132 8.48774 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.35636 9.51381 6.60933 11.9764 6.78736 9.53055 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 16.285 16.3524 9.66068 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 8.89481 9.01097 9.66219 9.64281 14.0364 5.37302 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 8.89481 9.01097 9.66219 16.285 16.3524 8.03783 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 8.89481 9.01097 9.66219 13.9688 12.1308 8.47541 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.40546 5.73999 8.99399 11.8884 10.7421 8.75431 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 6.38163 4.92611 7.58957 10.5788 7.59962 9.86988 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.3894 11.5759 6.66772 16.5219 7.36833 8.6561 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 9.50322 16.7326 9.22232 18.09 12.7925 6.16862 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 9.50322 16.7326 9.22232 19.977 15.4258 9.70325 numMergedOcc 0
21 mol 133 unq 3 iso 0 dist 9.50322 10.2948 9.22661 7.12336 6.26797 6.42904 numMergedOcc 0
22 mol 133 unq 4 iso 0 dist 9.50322 11.6924 7.56378 14.4181 5.36939 7.31633 numMergedOcc 0
23 mol 163 unq 0 iso 0 dist 9.63873 6.09134 9.07943 9.04757 4.12904 9.62943 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 8.59783 9.22906 6.21194 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 12.6983 5.90604 8.80931 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 10.9808 4.82768 5.89818 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 9.55777 4.05539 9.82371 10.9808 4.82768 9.32543 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.32451 16.2294 8.94014 13.7206 4.39639 7.26887 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 6.86162 3.87679 7.49645 12.2591 11.7757 8.55613 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 5.06669 11.6777 8.08939 numMergedOcc 0
31 mol 244 unq 1 iso 0 dist 7.65388 4.38246 5.50492 5.65248 7.45211 7.33574 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 6.37672 4.20164 5.48118 6.40339 9.9244 6.58109 numMergedOcc 0
33 mol 249 unq 1 iso 0 dist 8.94023 5.93404 5.48118 9.5348 9.9244 6.58109 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.59174 5.32742 9.63959 8.37512 8.27707 8.63176 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 8.43858 4.29482 7.16853 11.229 3.93713 9.3201 numMergedOcc 0
