0 mol 36 unq 0 iso 0 dist 6.26544 6.56152 4.18884 6.78857 10.0392 7.18508 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 6.82832 8.6782 4.32494 9.42384 4.41212 6.31421 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.99482 9.86007 8.36864 8.78269 5.43595 3.6851 numMergedOcc 0
3 mol 136 unq 0 iso 0 dist 9.14098 9.71323 9.79072 8.65282 4.54436 5.34588 numMergedOcc 0
4 mol 142 unq 0 iso 0 dist 9.02319 9.28039 10.6977 8.40522 10.5548 3.06927 numMergedOcc 0
5 mol 180 unq 0 iso 0 dist 7.54921 8.90665 10.0233 5.70326 5.92014 4.56845 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 5.97162 8.13982 10.6238 9.6283 11.5773 5.64335 numMergedOcc 0
7 mol 206 unq 0 iso 0 dist 6.38821 6.28518 6.34615 7.54599 5.99674 10.7204 numMergedOcc 0
8 mol 206 unq 1 iso 0 dist 5.98212 6.28518 7.07388 7.54599 7.16342 10.7204 numMergedOcc 0
9 mol 206 unq 2 iso 0 dist 7.16312 6.28518 3.76545 7.54599 9.09161 10.7204 numMergedOcc 0
10 mol 206 unq 3 iso 0 dist 7.21783 6.09565 8.54506 8.42431 12.072 10.3983 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 6.21062 9.7268 13.0752 8.81424 11.5114 3.10571 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 6.21062 9.7268 13.0752 9.60949 3.90246 16.4394 numMergedOcc 0
13 mol 225 unq 2 iso 0 dist 7.26267 9.7268 4.33517 8.81424 6.04835 3.10571 numMergedOcc 0
14 mol 225 unq 3 iso 0 dist 7.26267 9.7268 4.33517 9.60949 15.2037 16.4394 numMergedOcc 0
15 mol 254 unq 0 iso 0 dist 9.98322 8.81893 4.26355 8.9475 9.15613 9.85273 numMergedOcc 0
16 mol 254 unq 1 iso 0 dist 9.98322 8.81893 4.26355 8.26189 10.7716 10.1133 numMergedOcc 0
17 mol 254 unq 2 iso 0 dist 9.98322 8.81893 4.26355 5.75348 8.83396 7.5396 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 7.5129 6.57555 9.39716 5.33881 4.38276 5.99357 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 7.21215 9.85095 9.97875 7.96613 10.0526 16.1366 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 7.21215 8.25191 3.82419 7.96613 10.0526 9.94662 numMergedOcc 0
21 mol 266 unq 2 iso 0 dist 7.21215 7.35056 6.54999 7.96613 10.0526 10.4118 numMergedOcc 0
