0 mol 29 unq 0 iso 0 dist 5.94216 6.31736 6.27204 6.83089 8.43763 7.24105 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.00217 9.86454 9.23087 5.08181 8.32093 5.37935 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.60152 4.32573 6.80561 4.50854 9.60811 8.29483 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 7.85668 5.73441 6.40757 9.69493 9.86479 10.0772 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.96872 6.87788 5.98626 9.99421 8.87977 3.88626 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.72121 10.4601 7.34465 12.1308 6.69121 8.70456 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.70907 5.40647 6.23889 9.6722 6.9447 4.98735 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 9.91644 5.89013 6.23889 9.93441 6.9447 4.98735 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.01984 11.8798 7.22098 9.11894 7.24101 4.88926 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 8.9675 6.14743 9.58365 15.0962 9.82522 10.9251 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 8.9675 6.14743 9.58365 14.8962 8.50773 13.3896 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 5.99766 7.54538 5.71819 6.18377 7.51798 4.22218 numMergedOcc 0
12 mol 206 unq 1 iso 0 dist 5.99766 4.85877 8.48679 6.18377 7.51798 3.57449 numMergedOcc 0
13 mol 206 unq 2 iso 0 dist 5.99766 6.8664 9.86924 6.18377 7.51798 13.0094 numMergedOcc 0
14 mol 206 unq 3 iso 0 dist 5.99766 8.77652 7.44186 6.18377 7.51798 13.6373 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.86708 6.24537 8.78286 10.486 9.41473 5.30972 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 5.86875 13.3059 8.78286 14.0159 9.41473 5.30972 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 9.92712 14.7206 8.81279 6.90422 9.63062 16.6733 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 9.92712 13.2207 9.57951 6.90422 9.63062 17.1566 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.42131 8.80297 9.17214 9.44548 9.39727 12.0622 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 9.42131 15.1458 9.6169 9.44548 9.39727 7.32689 numMergedOcc 0
21 mol 261 unq 2 iso 0 dist 6.24373 8.44258 9.17214 4.93849 9.39727 12.0622 numMergedOcc 0
22 mol 261 unq 3 iso 0 dist 6.24373 7.11734 9.6169 4.93849 9.39727 7.32689 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 9.83528 10.8968 6.91284 5.01922 5.90121 7.24296 numMergedOcc 0
24 mol 283 unq 1 iso 0 dist 6.69313 8.99445 5.7378 15.4958 9.74797 7.27864 numMergedOcc 0
25 mol 283 unq 2 iso 0 dist 6.69313 8.99445 5.7378 14.4844 9.90494 13.4741 numMergedOcc 0
26 mol 283 unq 3 iso 0 dist 6.69313 5.06928 7.15632 15.4958 9.74797 16.7441 numMergedOcc 0
27 mol 283 unq 4 iso 0 dist 6.69313 5.06928 7.15632 14.4844 9.90494 11.413 numMergedOcc 0
