0 mol 27 unq 0 iso 0 dist 9.62305 8.16102 10.9668 5.84177 8.71752 9.29273 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.28811 8.6127 3.85603 5.08831 9.33027 8.0991 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.28811 8.6127 3.85603 6.54316 7.32707 8.80175 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 8.28811 8.6127 3.85603 11.3171 7.90574 8.61637 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 8.28811 9.25005 7.03719 5.08831 9.33027 9.95093 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 6.29253 8.6127 4.42374 5.08831 8.2946 8.0991 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 6.29253 8.6127 4.42374 6.54316 9.25346 8.80175 numMergedOcc 0
7 mol 34 unq 6 iso 0 dist 6.29253 8.6127 4.42374 11.3171 11.4519 8.61637 numMergedOcc 0
8 mol 34 unq 7 iso 0 dist 6.29253 9.25005 3.69607 5.08831 8.2946 9.95093 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 8.68825 7.85115 3.56771 9.41836 9.07734 5.51053 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 4.86894 7.99127 4.19541 10.4027 9.30424 7.2932 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 9.69869 7.91749 5.51921 6.57631 12.57 8.74878 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 4.7785 7.91749 4.43652 6.57631 8.73468 8.74878 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 9.67177 7.96309 5.45164 6.56068 12.4713 8.74018 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 4.79493 7.96309 4.48089 6.56068 8.73558 8.74018 numMergedOcc 0
15 mol 153 unq 0 iso 0 dist 6.18684 5.17415 4.74158 5.84134 10.3135 7.97325 numMergedOcc 0
16 mol 153 unq 1 iso 0 dist 5.8332 5.17415 6.89157 5.84134 11.3042 7.97325 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.75994 8.1953 15.0192 7.48749 13.403 6.12453 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.75994 8.16253 12.9336 7.48749 13.403 9.87447 numMergedOcc 0
19 mol 168 unq 2 iso 0 dist 6.80155 8.1953 7.8982 7.48749 7.60254 6.12453 numMergedOcc 0
20 mol 168 unq 3 iso 0 dist 6.80155 8.16253 6.7031 7.48749 7.60254 9.87447 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 5.87728 9.11936 11.5516 5.71349 9.75763 9.62748 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 5.87728 8.20517 9.74321 5.71349 9.75763 5.12964 numMergedOcc 0
23 mol 184 unq 2 iso 0 dist 6.71538 9.11936 3.67094 5.71349 7.0685 9.62748 numMergedOcc 0
24 mol 184 unq 3 iso 0 dist 6.71538 8.20517 5.06572 5.71349 7.0685 5.12964 numMergedOcc 0
25 mol 184 unq 4 iso 0 dist 8.58856 9.11936 11.1303 5.71349 6.44904 9.62748 numMergedOcc 0
26 mol 184 unq 5 iso 0 dist 8.58856 8.20517 3.88336 5.71349 6.44904 5.12964 numMergedOcc 0
27 mol 184 unq 6 iso 0 dist 6.76009 6.03505 3.88336 8.54538 6.44904 5.12964 numMergedOcc 0
28 mol 184 unq 7 iso 0 dist 6.76009 6.30144 7.34488 9.41221 13.7439 7.02762 numMergedOcc 0
29 mol 198 unq 0 iso 0 dist 7.48163 6.13687 6.76174 10.4394 15.2254 8.78623 numMergedOcc 0
30 mol 256 unq 0 iso 0 dist 7.54244 3.62582 8.80744 5.05199 11.592 6.63831 numMergedOcc 0
31 mol 256 unq 1 iso 0 dist 7.54244 3.62582 8.80744 5.9572 9.18903 8.08629 numMergedOcc 0
32 mol 256 unq 2 iso 0 dist 7.54244 3.62582 8.80744 10.1811 17.4138 9.03979 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 9.54237 5.00754 9.63038 5.85169 7.36811 9.01437 numMergedOcc 0
