0 mol 11 unq 0 iso 0 dist 9.78754 5.71129 6.35398 9.66474 7.98326 10.9183 10.2507 10.9655 6.79478 16.1805 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 5.71129 6.35398 10.3999 7.90478 9.99434 10.2507 10.9655 6.79478 11.665 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.7913 4.73713 5.9465 11.9687 6.77241 8.70803 8.6716 5.97684 7.86724 12.2742 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 7.7913 4.73713 5.9465 12.841 5.50508 9.52327 8.6716 5.97684 7.86724 8.66742 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.75431 10.7421 8.99399 4.09788 7.20249 7.45148 5.28955 5.01597 9.93703 6.13508 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.04845 13.7612 5.87634 6.26174 8.95662 14.8102 8.3243 4.7146 6.11955 11.0798 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.94325 12.9605 5.87634 5.53181 8.95662 14.8102 8.95239 4.7146 6.11955 11.0798 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 6.72323 4.64588 5.87634 14.5316 8.95662 14.8102 6.23615 4.7146 6.11955 11.0798 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 10.453 8.86197 7.81713 10.2388 11.2787 7.44191 13.0487 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 6.95568 4.11061 6.59025 10.453 8.86197 7.81713 4.96259 5.87168 6.00053 12.5826 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 6.95568 4.11061 6.59025 3.97538 5.94379 7.16549 10.2388 11.2787 7.44191 13.2143 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 6.95568 4.11061 6.59025 3.97538 5.94379 7.16549 4.96259 5.87168 6.00053 5.67112 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 7.04477 5.47434 6.11704 11.378 5.70795 7.554 8.10096 7.93097 9.5723 10.7136 numMergedOcc 0
13 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 6.02223 5.9627 9.0676 16.4542 10.4369 7.29898 14.9674 numMergedOcc 0
14 mol 249 unq 1 iso 0 dist 6.58109 9.9244 5.48118 6.02223 5.9627 9.0676 18.325 13.4788 8.91685 17.8805 numMergedOcc 0
15 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 7.55971 7.16346 12.0136 8.78928 5.06747 8.90885 12.1498 numMergedOcc 0
16 mol 273 unq 1 iso 0 dist 6.38341 9.40198 9.18157 7.55971 7.16346 12.1851 10.9089 5.62662 7.89852 10.6456 numMergedOcc 0
17 mol 273 unq 2 iso 0 dist 6.38341 9.40198 9.18157 7.55971 7.16346 12.1851 8.78928 5.06747 9.96963 12.1498 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 5.15747 6.88827 5.29529 18.1111 14.679 9.696 13.0106 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.02071 5.9882 9.85289 4.36131 6.88827 5.29529 15.4711 14.679 9.696 13.0106 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 16.08 12.4627 9.6331 16.9331 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 16.08 12.4627 9.6331 16.9331 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 16.08 12.4627 9.6331 16.9331 numMergedOcc 0
