0 mol 14 unq 0 iso 0 dist 9.28341 5.58255 6.38364 13.3553 9.18933 8.73627 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 7.96299 6.75623 5.83409 12.5942 5.49044 7.49054 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 14.6644 11.8037 9.514 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 8.3558 15.1474 7.4729 17.5435 11.8037 9.514 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 8.84131 8.90571 7.36792 8.63253 6.42572 9.01767 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 8.84131 8.90571 7.36792 5.15752 5.54551 9.80678 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.64107 4.82909 4.99221 11.5199 5.889 6.86946 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.94179 6.75154 6.5107 15.1898 8.00493 8.84018 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.00172 15.719 6.80239 15.0078 7.96098 6.11955 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 11.5604 13.2491 8.89982 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 10.4721 4.90657 9.8711 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 8.81385 4.28891 8.7347 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 10.7259 6.38066 9.29703 numMergedOcc 0
13 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 6.00509 5.3251 7.79865 numMergedOcc 0
14 mol 231 unq 1 iso 0 dist 6.02527 7.6832 8.40182 6.00509 5.3251 6.14348 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 5.77925 10.5925 8.35971 9.86445 10.054 8.77254 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.39537 9.53107 6.57393 15.0168 10.8336 6.83152 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.97461 11.6506 7.31233 15.0168 12.1448 5.24313 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 8.75137 6.6173 7.29898 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 7.79723 4.24754 7.57994 7.82699 5.25611 8.91685 numMergedOcc 0
20 mol 249 unq 2 iso 0 dist 8.14526 4.24754 6.18582 8.75137 8.95486 7.29898 numMergedOcc 0
21 mol 249 unq 3 iso 0 dist 8.14526 4.24754 6.18582 7.82699 9.66184 8.91685 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 6.17985 6.02958 8.33025 14.5182 16.5881 9.73021 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 17.3063 9.22664 8.58088 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 16.8192 10.0289 6.75305 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 12.6205 10.0289 6.75305 numMergedOcc 0
