0 mol 11 unq 0 iso 0 dist 9.52695 5.23547 6.859 9.07476 6.76736 9.89425 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.17217 6.0606 6.81793 13.1741 12.5394 8.97754 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.07989 6.4113 7.98985 8.18214 3.99506 5.64092 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 7.07989 6.4113 7.98985 14.5952 16.2325 8.71074 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 9.77272 16.2411 7.98985 13.6793 3.99506 5.64092 numMergedOcc 0
5 mol 68 unq 3 iso 0 dist 9.77272 16.2411 7.98985 24.7648 16.2325 8.71074 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 5.51406 6.44712 8.77355 13.3153 12.8723 7.71625 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.4518 3.91263 7.28831 5.10693 4.34681 6.67678 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.4518 3.91263 7.28831 6.58814 5.73248 7.24956 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.4518 3.91263 7.28831 6.13459 13.5809 8.28591 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 7.4518 3.91263 7.28831 7.54391 14.149 9.40687 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 9.1687 3.91263 9.71411 5.10693 9.11796 6.67678 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 9.1687 3.91263 9.71411 6.58814 7.24672 7.24956 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 9.1687 3.91263 9.71411 6.13459 10.6039 8.28591 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 9.1687 3.91263 9.71411 7.54391 6.48338 9.40687 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.66068 8.60362 9.30645 7.96893 6.29259 8.67025 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 5.49198 5.19373 7.83568 10.6673 14.5488 6.76852 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 5.51388 14.6592 9.15283 7.33643 3.83687 9.06172 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 8.17917 13.7799 9.15283 11.7902 3.83687 9.06172 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 8.68909 11.1071 9.15283 10.1085 3.83687 9.06172 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.21194 9.12839 7.47964 13.457 8.77204 9.68512 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 8.95598 6.60692 7.81263 9.10344 5.69882 7.25623 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 8.03512 3.86206 9.32959 8.76748 9.87573 6.68939 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 5.89818 4.91709 8.43195 4.90656 3.98604 8.88902 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 5.68717 9.0549 6.75725 7.88108 3.60349 8.51564 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 5.68717 6.73886 9.31888 9.46576 7.28821 7.49606 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 6.81257 3.86293 9.03998 9.93392 6.89604 9.67239 numMergedOcc 0
27 mol 278 unq 1 iso 0 dist 9.21145 11.7249 7.67837 18.5991 10.7788 9.67239 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 6.60049 7.45665 8.6233 9.52066 4.30125 9.21469 numMergedOcc 0
