0 mol 21 unq 0 iso 0 dist 8.29395 4.80464 5.0018 9.3844 7.39438 9.3814 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 6.51419 6.91363 5.0018 7.33018 7.39438 9.3814 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.07389 16.282 9.36759 5.84171 9.07906 14.6904 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.07389 16.282 9.36759 9.30759 8.75567 12.0121 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.07389 10.5808 5.0553 5.84171 9.07906 11.8429 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.07389 10.5808 5.0553 9.30759 8.75567 5.8542 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.94809 12.9929 9.00217 5.53078 9.18809 14.94 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.02428 5.55937 7.65495 13.4868 8.72013 9.1771 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 7.20322 4.25808 6.99676 12.8769 7.02709 13.5052 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 5.27549 5.58087 7.82186 7.36905 8.5457 5.74096 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 5.27549 5.58087 7.82186 6.1358 6.7928 8.58414 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 5.27549 5.58087 7.82186 8.18801 7.59189 12.5923 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 5.27549 5.44428 5.85006 7.36905 8.5457 11.8343 numMergedOcc 0
13 mol 120 unq 4 iso 0 dist 5.27549 5.44428 5.85006 6.1358 6.7928 8.40633 numMergedOcc 0
14 mol 120 unq 5 iso 0 dist 5.27549 5.44428 5.85006 8.18801 7.59189 6.60352 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.71292 6.31999 9.07685 6.05321 6.64326 5.23723 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 7.71402 10.1351 7.78684 12.6052 6.85239 8.89995 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 7.71402 10.1351 7.78684 12.4033 5.72735 6.43506 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.13982 6.78172 5.84716 4.70216 9.37545 7.82249 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 8.13982 6.78172 5.84716 6.13422 6.02579 9.09826 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 8.13982 7.52575 5.88987 4.70216 9.37545 5.47219 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 8.13982 7.52575 5.88987 6.13422 6.02579 6.51869 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 9.1579 7.18271 5.99766 15.3449 9.62822 8.21044 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 9.1579 7.18271 5.99766 13.5094 7.03546 8.05113 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 9.67363 14.5204 9.52824 12.2549 5.31041 6.24198 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.27395 6.1161 8.46598 10.7661 8.13183 8.91606 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 6.27395 6.1161 8.46598 11.3436 6.78929 12.2458 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 6.27395 7.62137 7.17822 10.7661 8.13183 7.99403 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 6.27395 7.62137 7.17822 11.3436 6.78929 6.51074 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.00616 14.4695 7.01147 4.63237 9.00426 13.3285 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.00616 16.6016 8.69549 4.63237 9.00426 15.0037 numMergedOcc 0
31 mol 261 unq 2 iso 0 dist 6.35699 14.4695 9.53489 4.63237 8.19348 13.3285 numMergedOcc 0
