0 mol 20 unq 0 iso 0 dist 7.16149 15.8767 9.0017 10.5068 6.22202 8.26091 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.4228 16.7341 9.74724 20.0347 12.4229 7.47395 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.80127 6.7846 7.18124 13.6588 7.19357 8.25818 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.48457 13.2846 7.18124 9.30028 7.19357 8.25818 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.27081 9.75637 8.28218 15.767 9.23676 9.63882 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 9.18809 10.9724 8.32093 13.7382 5.29172 7.7485 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 4.69674 4.7874 6.48394 4.86198 3.93249 6.79423 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.72013 12.3916 9.15754 11.0597 5.54567 9.2057 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.77199 10.3737 7.67463 11.5901 7.59896 4.18248 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.81824 8.37717 7.67463 8.04242 7.59896 4.18248 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.82487 11.6076 8.46167 9.4359 4.62493 5.31126 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.82487 11.6076 8.46167 11.2964 6.47997 7.16619 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 5.82487 7.84907 6.13175 9.4359 4.62493 4.49669 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 5.82487 7.84907 6.13175 11.2964 6.47997 5.88896 numMergedOcc 0
14 mol 113 unq 4 iso 0 dist 5.82487 4.11536 4.34107 9.4359 4.62493 6.00221 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 8.10448 5.49724 7.39112 8.51123 4.89202 6.55227 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 8.1671 3.824 9.43682 7.53694 3.47821 7.84207 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 8.1671 3.824 9.43682 8.38358 6.10769 6.98791 numMergedOcc 0
18 mol 120 unq 2 iso 0 dist 8.1671 4.96885 8.0564 7.53694 3.47821 8.56947 numMergedOcc 0
19 mol 176 unq 0 iso 0 dist 6.32146 6.40668 5.58647 9.66404 5.64063 6.85902 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.73419 4.46135 9.24832 4.51255 9.90756 6.80296 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 6.11803 3.56132 9.24832 6.23183 9.90756 6.80296 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 9.0813 13.9138 8.46558 18.0417 9.06529 9.47092 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 5.94606 11.0218 8.46558 11.8376 9.06529 9.47092 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 8.25636 11.1503 9.90494 15.657 12.6476 7.31132 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 9.51557 5.80629 5.90121 12.0683 3.31521 7.31132 numMergedOcc 0
