0 mol 8 unq 0 iso 0 dist 8.23769 7.70793 11.705 8.93161 8.33604 7.3915 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 5.99959 8.49198 10.9618 9.0406 6.40841 14.7138 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 5.99959 8.49198 10.9618 6.58144 7.58407 14.0864 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 5.99959 8.49198 10.9618 4.98107 6.31428 13.0252 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 5.99959 9.57633 10.8775 9.0406 6.40841 16.5117 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 5.99959 9.57633 10.8775 6.58144 7.58407 7.27383 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 5.99959 9.57633 10.8775 4.98107 6.31428 12.5444 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 5.42653 6.64347 5.69605 11.3925 8.39016 13.5917 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 5.42653 6.64347 5.69605 5.52097 6.99355 10.7293 numMergedOcc 0
9 mol 90 unq 2 iso 0 dist 8.71991 8.98302 10.968 13.8549 8.39016 15.0774 numMergedOcc 0
10 mol 90 unq 3 iso 0 dist 8.71991 8.98302 10.968 10.226 6.99355 15.8041 numMergedOcc 0
11 mol 90 unq 4 iso 0 dist 8.71991 6.03963 5.69605 13.8549 8.39016 13.5917 numMergedOcc 0
12 mol 90 unq 5 iso 0 dist 8.71991 6.03963 5.69605 10.226 6.99355 10.7293 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.01727 8.96048 10.2428 9.63729 9.39469 16.8433 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.01727 8.96048 10.2428 6.27843 4.76815 10.8066 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 4.89099 7.28655 4.70719 5.07165 6.83051 11.0555 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 6.58792 9.62457 5.39245 8.3808 8.19104 5.39064 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 7.17249 5.15305 4.34089 6.67182 6.50241 8.56355 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 5.35423 6.56609 4.05564 7.87106 6.95408 6.96521 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 5.35423 6.56609 4.05564 6.11703 9.57538 11.3758 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 5.35423 6.56609 4.05564 6.8726 9.2285 12.3049 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 5.35423 6.56609 4.05564 6.80685 7.58278 11.1778 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 9.76751 8.28297 10.3763 7.37147 9.59333 8.0144 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 7.67499 7.5552 12.0493 11.1516 6.68292 16.3552 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 7.67499 8.10336 5.87471 11.1516 6.68292 12.5347 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 7.3327 8.96556 5.86074 11.6308 9.38971 6.70215 numMergedOcc 0
26 mol 276 unq 1 iso 0 dist 7.3327 8.96556 5.86074 4.73253 8.71541 7.23916 numMergedOcc 0
27 mol 276 unq 2 iso 0 dist 7.3327 8.96556 5.86074 5.75852 8.76347 10.0283 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 5.81774 9.99345 8.73481 12.3326 9.03492 12.1586 numMergedOcc 0
