0 mol 72 unq 0 iso 0 dist 7.60252 8.34938 7.12321 8.5416 4.86198 4.38233 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.83265 13.7606 5.5087 12.8736 7.37171 10.0644 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.83265 12.8912 6.08682 12.8736 7.37171 12.1501 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.80802 9.93158 6.85523 14.1179 7.91148 6.99884 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.80802 9.93158 6.85523 11.8378 6.59794 3.75261 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 9.80802 9.93158 6.85523 15.4022 8.34957 10.6388 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 9.80802 11.5941 5.77326 14.1179 7.91148 4.75637 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 9.80802 11.5941 5.77326 11.8378 6.59794 5.62063 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 9.80802 11.5941 5.77326 15.4022 8.34957 3.81575 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 6.89004 4.02602 7.80898 5.43825 9.07128 9.11654 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 6.89004 4.02602 7.80898 9.10065 6.65615 10.8983 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.09482 5.64102 7.13008 5.63466 4.17838 7.35325 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 5.94669 8.30405 6.00603 8.69407 4.42563 3.17342 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 8.54009 11.0981 6.89918 4.26484 5.77186 6.96373 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.39213 10.6602 8.73533 8.39801 5.90765 3.60793 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 9.24777 15.546 9.10817 5.78087 9.23086 17.435 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 9.24777 9.12935 9.73548 5.78087 9.23086 4.91041 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.61945 12.6855 9.35539 12.3675 4.9764 13.2853 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 8.61945 12.6855 9.35539 13.8357 6.36559 12.4985 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 8.61945 15.9144 8.9682 12.3675 4.9764 5.9732 numMergedOcc 0
20 mol 277 unq 3 iso 0 dist 8.61945 15.9144 8.9682 13.8357 6.36559 8.61922 numMergedOcc 0
21 mol 277 unq 4 iso 0 dist 8.61945 13.156 6.92711 12.3675 4.9764 3.79766 numMergedOcc 0
22 mol 277 unq 5 iso 0 dist 8.61945 13.156 6.92711 13.8357 6.36559 7.07613 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 9.25455 6.62906 7.80862 13.411 6.71946 10.2856 numMergedOcc 0
24 mol 285 unq 1 iso 0 dist 9.25455 6.62906 7.80862 14.396 8.28061 8.89122 numMergedOcc 0
25 mol 285 unq 2 iso 0 dist 9.25455 6.62906 7.80862 9.96845 5.03601 4.98469 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.76025 6.18639 7.45616 4.0634 5.30118 3.66473 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 8.76025 6.18639 7.45616 4.0634 5.30118 3.66473 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.76025 6.18639 7.45616 4.0634 5.30118 3.66473 numMergedOcc 0
