0 mol 17 unq 0 iso 0 dist 6.0982 11.9015 9.877 13.3634 8.91991 5.16502 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.0982 11.9015 9.877 13.4368 9.59996 8.26398 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.62305 5.84177 8.71752 8.16102 10.9668 9.29273 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.28811 5.08831 9.33027 8.6127 3.85603 8.0991 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.28811 5.08831 9.33027 9.25005 7.03719 9.95093 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 8.28811 6.54316 7.32707 8.6127 3.85603 8.80175 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 8.28811 11.3171 7.90574 8.6127 3.85603 8.61637 numMergedOcc 0
7 mol 34 unq 4 iso 0 dist 6.29253 5.08831 8.2946 8.6127 4.42374 8.0991 numMergedOcc 0
8 mol 34 unq 5 iso 0 dist 6.29253 5.08831 8.2946 9.25005 3.69607 9.95093 numMergedOcc 0
9 mol 34 unq 6 iso 0 dist 6.29253 6.54316 9.25346 8.6127 4.42374 8.80175 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.68825 9.41836 9.07734 7.85115 3.56771 5.51053 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.87854 8.10869 7.26955 11.4338 3.71283 6.21165 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 4.86894 10.4027 9.30424 7.99127 4.19541 7.2932 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 8.48719 4.96984 6.50043 10.3741 6.19717 6.73137 numMergedOcc 0
14 mol 146 unq 1 iso 0 dist 8.48719 7.70916 9.44952 10.3741 6.19717 5.95148 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 4.7785 6.57631 8.73468 11.886 10.8312 9.17462 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 4.7785 6.57631 8.73468 7.91749 4.43652 8.74878 numMergedOcc 0
17 mol 148 unq 2 iso 0 dist 4.7785 8.40891 9.73927 11.886 10.8312 5.75959 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 4.79493 6.56068 8.73558 11.782 10.8596 9.01668 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 4.79493 6.56068 8.73558 7.96309 4.48089 8.74018 numMergedOcc 0
20 mol 150 unq 2 iso 0 dist 4.79493 8.32178 9.66129 11.782 10.8596 5.4798 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 6.80155 7.48749 7.60254 8.1953 7.8982 6.12453 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 6.80155 7.48749 7.60254 8.16253 6.7031 9.87447 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 5.87728 5.71349 9.75763 9.11936 11.5516 9.62748 numMergedOcc 0
24 mol 184 unq 1 iso 0 dist 5.87728 5.71349 9.75763 8.20517 9.74321 5.12964 numMergedOcc 0
25 mol 184 unq 2 iso 0 dist 6.71538 5.71349 7.0685 9.11936 3.67094 9.62748 numMergedOcc 0
26 mol 184 unq 3 iso 0 dist 6.71538 5.71349 7.0685 8.20517 5.06572 5.12964 numMergedOcc 0
27 mol 184 unq 4 iso 0 dist 8.58856 5.71349 6.44904 9.11936 11.1303 9.62748 numMergedOcc 0
28 mol 184 unq 5 iso 0 dist 8.58856 5.71349 6.44904 8.20517 3.88336 5.12964 numMergedOcc 0
29 mol 184 unq 6 iso 0 dist 6.76009 8.54538 6.44904 13.3171 11.1303 9.62748 numMergedOcc 0
30 mol 184 unq 7 iso 0 dist 6.76009 8.54538 6.44904 6.03505 3.88336 5.12964 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 8.7483 4.45459 7.17337 14.1532 12.899 9.78273 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 7.54244 12.9347 7.48269 10.9723 3.89364 4.36333 numMergedOcc 0
33 mol 256 unq 1 iso 0 dist 7.54244 8.03672 6.71249 10.9723 3.89364 6.96483 numMergedOcc 0
34 mol 256 unq 2 iso 0 dist 7.54244 5.9572 9.18903 3.62582 8.80744 8.08629 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 9.54237 5.85169 7.36811 5.00754 9.63038 9.01437 numMergedOcc 0
