0 mol 7 unq 0 iso 0 dist 9.8603 9.30196 7.15434 13.8384 5.72491 7.29541 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 3.69663 4.92734 12.3138 7.3915 9.91124 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.46229 6.21955 9.16444 7.36079 7.05346 6.84888 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.11056 8.95357 8.20058 5.36722 6.72502 12.1567 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.88695 4.54484 7.51406 6.29311 5.69955 6.81213 numMergedOcc 0
5 mol 33 unq 0 iso 0 dist 7.14232 10.8661 9.00543 8.76485 9.63263 12.5123 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 7.20538 8.39913 8.96238 9.91757 6.77886 6.5705 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.18305 12.2435 8.124 11.4574 8.73253 16.0036 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.58841 13.4991 5.56964 5.25697 4.79949 8.88275 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.58841 13.4991 5.56964 10.7962 7.27693 7.18485 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.9747 11.1108 8.05602 8.89866 7.26086 14.9908 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 4.50572 9.17639 8.05602 7.87523 7.26086 14.9908 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.3164 7.12319 8.84523 10.9842 5.34214 9.01694 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.40546 9.90172 7.85527 6.00304 6.98934 8.79034 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 6.40546 9.90172 7.85527 6.64646 7.99623 5.53632 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 5.63005 11.5865 8.62648 9.79485 8.56342 8.9683 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 5.63005 11.5865 8.62648 6.81112 6.37542 5.50673 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.81337 10.4143 8.99949 6.99491 9.29384 14.8405 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 7.97007 5.21344 7.47975 6.23157 7.25742 9.78249 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 5.87223 12.1126 9.47932 6.8255 6.29767 14.3725 numMergedOcc 0
20 mol 212 unq 1 iso 0 dist 5.87223 12.1126 9.47932 8.90296 8.74585 11.0448 numMergedOcc 0
21 mol 212 unq 2 iso 0 dist 8.062 4.95466 9.47932 11.009 6.29767 14.3725 numMergedOcc 0
22 mol 212 unq 3 iso 0 dist 8.062 4.95466 9.47932 12.2246 8.74585 11.0448 numMergedOcc 0
23 mol 212 unq 4 iso 0 dist 8.70011 11.245 9.47932 8.66123 6.29767 14.3725 numMergedOcc 0
24 mol 212 unq 5 iso 0 dist 8.70011 11.245 9.47932 12.2545 8.74585 11.0448 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 6.9398 6.7488 4.851 5.77167 9.20961 11.3699 numMergedOcc 0
26 mol 251 unq 0 iso 0 dist 7.4878 6.68895 7.54763 9.21735 8.01198 8.51564 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 8.91612 9.02763 8.68368 8.31676 9.66465 14.7937 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 5.73834 5.59455 8.9706 10.6333 9.53063 7.43645 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 8.49076 7.64336 6.36173 4.85537 7.52109 6.35113 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 8.49076 7.64336 6.36173 9.69449 7.44083 5.54474 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 7.98617 5.17156 5.18789 8.97436 9.13907 6.60365 numMergedOcc 0
