0 mol 2 unq 0 iso 0 dist 5.5745 4.00237 6.90295 6.47123 4.92096 8.3726 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 9.80646 6.84216 14.6652 10.0791 5.47299 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.7435 8.98102 6.58046 13.8283 9.68915 5.40468 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7522 3.30063 7.98005 6.67455 5.71065 6.70325 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.10899 12.1168 9.99939 14.7192 9.83264 5.68794 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 7.10899 12.1168 9.99939 18.3682 13.7592 8.9964 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 9.77553 12.4324 9.45756 17.8867 14.8682 7.44805 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 4.88613 6.09663 7.17488 9.33642 5.93193 9.33736 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.91902 8.04676 9.28702 7.00234 4.33228 9.87102 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 6.35462 4.56066 7.74064 10.5413 6.49171 8.73208 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 6.35462 4.56066 7.74064 8.87089 7.86667 5.60174 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.35636 3.98588 8.11702 8.3565 6.66379 9.87557 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.30654 9.81306 8.99891 14.0649 9.02772 6.38786 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.07256 12.8334 9.00072 20.0733 16.8649 8.52131 numMergedOcc 0
14 mol 157 unq 0 iso 0 dist 6.1835 6.11737 8.10592 8.78412 6.91388 9.46735 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 8.14096 3.86842 9.86868 10.1531 6.05722 9.98672 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 8.14096 3.86842 9.86868 9.63473 8.90206 7.84707 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 8.14096 7.27404 6.83528 11.8028 4.70374 7.20131 numMergedOcc 0
18 mol 167 unq 3 iso 0 dist 8.43038 13.2021 9.86868 13.9952 6.05722 9.98672 numMergedOcc 0
19 mol 167 unq 4 iso 0 dist 8.43038 13.2021 9.86868 15.61 8.90206 7.84707 numMergedOcc 0
20 mol 167 unq 5 iso 0 dist 8.43038 3.92405 6.83528 6.28957 4.70374 7.20131 numMergedOcc 0
21 mol 167 unq 6 iso 0 dist 9.87966 15.8191 9.86868 15.887 6.05722 9.98672 numMergedOcc 0
22 mol 167 unq 7 iso 0 dist 9.87966 15.8191 9.86868 18.1415 8.90206 7.84707 numMergedOcc 0
23 mol 167 unq 8 iso 0 dist 9.87966 6.18329 6.83528 7.34285 4.70374 7.20131 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 7.73315 14.9642 7.84952 10.5441 4.79566 8.96442 numMergedOcc 0
25 mol 237 unq 0 iso 0 dist 8.56463 8.84619 9.14911 15.8502 16.354 9.79219 numMergedOcc 0
26 mol 237 unq 1 iso 0 dist 9.42743 9.06943 9.14911 13.3682 16.354 9.79219 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 7.67598 8.46364 4.80903 17.8529 11.8163 9.49634 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 9.73983 10.4014 8.24356 12.4826 4.25662 7.14871 numMergedOcc 0
