0 mol 27 unq 0 iso 0 dist 6.94532 8.73916 12.2032 8.16102 7.34574 9.73154 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 6.94532 5.66337 12.214 8.16102 7.34574 10.602 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.50287 9.1695 4.86646 7.18148 6.10172 4.04498 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.83169 7.6104 6.18568 6.72584 7.20975 4.48523 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 6.83169 7.6104 6.18568 7.25594 11.1065 9.79852 numMergedOcc 0
5 mol 83 unq 2 iso 0 dist 8.92911 7.6104 7.75836 6.72584 7.44689 4.48523 numMergedOcc 0
6 mol 83 unq 3 iso 0 dist 8.92911 7.6104 7.75836 7.25594 11.1318 9.79852 numMergedOcc 0
7 mol 83 unq 4 iso 0 dist 8.07172 7.6104 12.5203 6.72584 11.7887 4.48523 numMergedOcc 0
8 mol 83 unq 5 iso 0 dist 8.07172 7.6104 12.5203 7.25594 12.5763 9.79852 numMergedOcc 0
9 mol 83 unq 6 iso 0 dist 7.8627 7.6104 14.0381 6.72584 11.0783 4.48523 numMergedOcc 0
10 mol 83 unq 7 iso 0 dist 7.8627 7.6104 14.0381 7.25594 6.48431 9.79852 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 6.17698 8.87546 7.98707 8.47126 7.53537 12.2566 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 5.78397 8.68179 6.73015 9.5648 15.1021 15.5141 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 5.78397 5.32056 6.63124 9.5648 15.1021 11.1876 numMergedOcc 0
14 mol 167 unq 2 iso 0 dist 5.78397 9.52659 12.0166 9.5648 15.1021 9.45943 numMergedOcc 0
15 mol 167 unq 3 iso 0 dist 5.36359 6.26373 8.3419 7.33483 4.0116 6.87479 numMergedOcc 0
16 mol 167 unq 4 iso 0 dist 5.36359 8.94308 6.73015 7.33483 4.0116 5.6513 numMergedOcc 0
17 mol 167 unq 5 iso 0 dist 5.36359 9.74227 6.63124 7.33483 4.0116 7.72283 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 9.86758 9.01437 12.3439 6.24232 11.7481 3.60864 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 9.86758 9.01437 12.3439 6.13116 7.27466 7.08284 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 8.17498 8.71535 7.06805 6.19516 7.73082 5.10828 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 8.17498 5.51558 12.4435 6.19516 7.73082 6.43422 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 5.52789 8.19595 7.57685 8.3872 6.21674 5.32967 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 8.02433 8.63212 13.3593 9.97709 16.5235 4.68076 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.39418 9.71269 8.63632 6.17759 4.73745 8.0165 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 7.39418 9.71269 8.63632 8.20391 4.16431 11.671 numMergedOcc 0
26 mol 287 unq 2 iso 0 dist 7.39418 9.40407 7.31462 6.17759 4.73745 4.80377 numMergedOcc 0
27 mol 287 unq 3 iso 0 dist 7.39418 9.40407 7.31462 8.20391 4.16431 3.91371 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.39418 9.71269 8.63632 6.17759 4.73745 8.0165 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 7.39418 9.71269 8.63632 8.20391 4.16431 11.671 numMergedOcc 0
30 mol 288 unq 2 iso 0 dist 7.39418 9.40407 7.31462 6.17759 4.73745 4.80377 numMergedOcc 0
31 mol 288 unq 3 iso 0 dist 7.39418 9.40407 7.31462 8.20391 4.16431 3.91371 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.39418 9.71269 8.63632 6.17759 4.73745 8.0165 numMergedOcc 0
33 mol 289 unq 1 iso 0 dist 7.39418 9.71269 8.63632 8.20391 4.16431 11.671 numMergedOcc 0
34 mol 289 unq 2 iso 0 dist 7.39418 9.40407 7.31462 6.17759 4.73745 4.80377 numMergedOcc 0
35 mol 289 unq 3 iso 0 dist 7.39418 9.40407 7.31462 8.20391 4.16431 3.91371 numMergedOcc 0
