0 mol 1 unq 0 iso 0 dist 9.44115 5.55519 9.78935 6.44928 8.56884 10.8375 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.90928 11.5824 9.78935 6.35409 8.56884 10.8375 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.86938 6.66708 5.46588 7.08043 8.99126 5.95251 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.05346 10.143 9.47421 4.78943 7.03948 12.558 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.05346 10.143 9.47421 5.48395 5.47769 5.66097 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 9.05346 10.143 9.47421 10.1011 6.58035 6.06561 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 7.88576 4.72199 7.33936 14.4244 8.68559 14.036 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.17564 6.07398 8.10708 10.6918 6.23899 7.43198 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.17564 13.9662 8.42956 10.6918 6.23899 4.60667 numMergedOcc 0
9 mol 59 unq 2 iso 0 dist 8.17564 11.9466 9.20253 10.6918 6.23899 8.34147 numMergedOcc 0
10 mol 59 unq 3 iso 0 dist 7.19213 4.58297 8.10708 7.5168 6.23899 7.43198 numMergedOcc 0
11 mol 59 unq 4 iso 0 dist 7.19213 11.3605 8.42956 7.5168 6.23899 4.60667 numMergedOcc 0
12 mol 59 unq 5 iso 0 dist 7.19213 10.8174 9.20253 7.5168 6.23899 8.34147 numMergedOcc 0
13 mol 59 unq 6 iso 0 dist 6.94351 12.5806 8.10708 9.2891 6.23899 7.43198 numMergedOcc 0
14 mol 59 unq 7 iso 0 dist 6.94351 7.6079 8.42956 9.2891 6.23899 4.60667 numMergedOcc 0
15 mol 59 unq 8 iso 0 dist 6.94351 8.93644 9.20253 9.2891 6.23899 8.34147 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 9.75205 9.74696 5.92974 15.6961 9.10189 6.06775 numMergedOcc 0
17 mol 99 unq 0 iso 0 dist 4.74654 6.02095 9.46619 7.79079 7.72108 11.4646 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 9.56248 4.52935 7.33162 8.11337 7.93331 7.92818 numMergedOcc 0
19 mol 173 unq 1 iso 0 dist 9.56248 4.52935 7.33162 10.8336 6.98095 8.40346 numMergedOcc 0
20 mol 173 unq 2 iso 0 dist 9.56248 4.52935 7.33162 10.6484 8.31897 11.3291 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 7.42108 12.7618 8.57818 4.81807 9.93083 12.3545 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 7.42108 12.7618 8.57818 7.79648 7.01383 5.72 numMergedOcc 0
23 mol 183 unq 2 iso 0 dist 9.19941 9.68909 8.57818 7.68618 9.93083 12.3545 numMergedOcc 0
24 mol 183 unq 3 iso 0 dist 9.19941 9.68909 8.57818 6.50505 7.01383 5.72 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.42382 5.22879 6.37369 7.2593 9.62609 10.8811 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 7.77951 6.75917 6.20188 4.53819 5.86443 5.14019 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 8.82471 7.27568 6.20188 10.9746 5.86443 5.14019 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 7.83363 8.42399 5.64376 12.3957 9.43203 7.92104 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 6.98151 11.094 5.77356 11.2013 7.17676 5.27568 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 6.98151 11.094 5.77356 4.15973 5.34718 7.77821 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.46582 4.13744 6.40309 9.23693 7.67322 7.01206 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 9.77231 4.13744 7.87164 15.3161 9.68513 14.8949 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 9.77231 4.13744 7.87164 9.18011 9.29858 11.2453 numMergedOcc 0
34 mol 247 unq 0 iso 0 dist 9.76925 14.3657 9.70618 14.6138 6.6838 5.61078 numMergedOcc 0
35 mol 247 unq 1 iso 0 dist 9.6455 15.0183 9.70618 9.44194 6.6838 5.61078 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 9.20119 4.22263 7.10557 12.5533 6.85028 10.9773 numMergedOcc 0
37 mol 282 unq 1 iso 0 dist 9.20119 4.22263 7.10557 14.3567 7.32347 11.2762 numMergedOcc 0
38 mol 282 unq 2 iso 0 dist 9.20119 4.22263 7.10557 6.32603 8.3411 6.28612 numMergedOcc 0
39 mol 282 unq 3 iso 0 dist 8.96997 12.2949 7.10557 4.64783 6.85028 10.9773 numMergedOcc 0
40 mol 282 unq 4 iso 0 dist 8.96997 12.2949 7.10557 10.0286 7.32347 11.2762 numMergedOcc 0
41 mol 282 unq 5 iso 0 dist 8.96997 12.2949 7.10557 7.65702 8.3411 6.28612 numMergedOcc 0
