0 mol 26 unq 0 iso 0 dist 7.89222 11.4929 9.27369 3.99573 6.46104 10.2609 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.89222 11.4929 9.27369 11.4986 7.36856 8.18809 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 5.80623 5.21735 5.66743 9.1735 9.52474 9.49066 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 5.80623 4.66619 7.42669 9.1735 9.52474 4.91484 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 7.24775 12.4614 5.66743 10.6901 9.52474 9.49066 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 7.24775 10.6589 7.42669 10.6901 9.52474 4.91484 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 5.0478 8.88887 4.38047 6.43082 6.14538 6.76462 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 7.52378 8.48311 8.85981 9.16445 7.16773 10.8619 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 5.39827 7.90807 6.94677 11.1921 9.25641 8.42799 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.04129 15.4157 9.55838 5.57159 6.36086 9.96691 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.43804 6.39965 5.94696 13.2064 6.7117 12.4265 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 7.43804 6.39965 5.94696 5.65902 4.47349 7.1452 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 7.43804 6.39965 5.94696 7.85074 5.65185 4.96747 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 7.93807 10.33 9.14629 5.89138 9.67741 7.91498 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 6.1338 7.76882 9.37017 6.33907 8.10214 4.04545 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.51408 7.45055 8.80931 11.0773 7.36683 5.90604 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 8.51408 7.45055 8.80931 4.95483 9.26504 8.97729 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.20651 16.0868 7.04477 12.9835 8.80683 10.0275 numMergedOcc 0
18 mol 226 unq 1 iso 0 dist 9.20651 16.0868 7.04477 13.1572 6.11704 5.47434 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 9.68308 13.6906 6.58109 5.09262 5.48118 9.9244 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 9.68308 13.6906 6.58109 4.85486 7.25858 9.9973 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 5.62568 7.85119 8.42076 10.7971 6.89451 8.60619 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 8.82948 13.9294 8.42076 6.27066 6.89451 8.60619 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 9.52718 7.88871 7.76945 12.9284 8.91712 5.25853 numMergedOcc 0
24 mol 287 unq 3 iso 0 dist 9.52718 7.88871 7.76945 6.56751 9.65934 7.19628 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 5.62568 7.85119 8.42076 10.7971 6.89451 8.60619 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 8.82948 13.9294 8.42076 6.27066 6.89451 8.60619 numMergedOcc 0
27 mol 288 unq 2 iso 0 dist 9.52718 7.88871 7.76945 12.9284 8.91712 5.25853 numMergedOcc 0
28 mol 288 unq 3 iso 0 dist 9.52718 7.88871 7.76945 6.56751 9.65934 7.19628 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 5.62568 7.85119 8.42076 10.7971 6.89451 8.60619 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 8.82948 13.9294 8.42076 6.27066 6.89451 8.60619 numMergedOcc 0
31 mol 289 unq 2 iso 0 dist 9.52718 7.88871 7.76945 12.9284 8.91712 5.25853 numMergedOcc 0
32 mol 289 unq 3 iso 0 dist 9.52718 7.88871 7.76945 6.56751 9.65934 7.19628 numMergedOcc 0
