0 mol 17 unq 0 iso 0 dist 5.4572 11.6091 9.19031 10.374 9.26171 4.36561 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.4572 11.6091 9.19031 9.04835 8.70761 7.46777 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 5.35469 10.8048 9.4228 8.46939 9.74724 16.7341 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 5.35469 10.8048 9.4228 7.27778 9.13347 14.3516 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 7.10895 11.3925 9.78235 8.91067 9.33968 4.79453 numMergedOcc 0
5 mol 90 unq 1 iso 0 dist 7.10895 5.52097 8.92069 8.91067 9.33968 6.34112 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 9.13904 13.6345 8.99376 6.524 5.16779 13.2837 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 7.10245 13.6345 7.37948 6.524 6.69121 13.2837 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 8.8556 11.1685 6.32146 7.95619 5.60333 5.02061 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 8.8556 11.1685 6.32146 4.99447 5.58647 6.40668 numMergedOcc 0
10 mol 176 unq 2 iso 0 dist 8.8556 11.1685 6.32146 5.46526 8.5733 10.3398 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 8.94535 7.08535 6.11835 10.7769 8.94198 12.4987 numMergedOcc 0
12 mol 252 unq 0 iso 0 dist 6.35781 6.79692 7.48298 4.59672 9.84342 7.63636 numMergedOcc 0
13 mol 252 unq 1 iso 0 dist 6.35781 6.79692 7.48298 11.2225 8.63893 9.93981 numMergedOcc 0
14 mol 252 unq 2 iso 0 dist 8.06117 6.79692 8.9483 4.59672 9.85159 7.63636 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 5.85932 6.42225 9.00426 9.52943 7.8647 11.1348 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 6.95272 5.81569 5.77089 5.55931 9.68335 5.33325 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 5.34771 5.90483 8.25636 5.91899 9.74797 8.94298 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 5.34771 5.90483 8.25636 8.2722 9.90494 11.1503 numMergedOcc 0
19 mol 283 unq 2 iso 0 dist 9.2825 11.0012 9.51557 8.2722 5.90121 5.80629 numMergedOcc 0
20 mol 283 unq 3 iso 0 dist 9.40332 7.97419 8.25636 8.32685 9.74797 8.94298 numMergedOcc 0
21 mol 283 unq 4 iso 0 dist 9.40332 7.97419 8.25636 5.93642 9.90494 11.1503 numMergedOcc 0
22 mol 283 unq 5 iso 0 dist 5.8676 7.70924 9.51557 5.93642 5.90121 5.80629 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.86603 10.7971 9.29241 10.0544 8.70479 4.21609 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.17626 6.27066 9.29241 6.23875 8.70479 4.21609 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.86603 10.7971 9.29241 10.0544 8.70479 4.21609 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.17626 6.27066 9.29241 6.23875 8.70479 4.21609 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.86603 10.7971 9.29241 10.0544 8.70479 4.21609 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.17626 6.27066 9.29241 6.23875 8.70479 4.21609 numMergedOcc 0
