0 mol 28 unq 0 iso 0 dist 8.60461 8.06843 4.15828 5.44908 11.0978 9.74532 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.94949 4.41045 11.9746 3.82411 12.6778 4.78873 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.95442 6.35997 3.76025 6.66835 7.4403 4.75881 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.4815 7.68019 9.78639 5.29955 9.56614 4.75881 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.46478 8.15861 10.803 3.81285 5.61151 6.67137 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.46478 8.15861 10.803 6.17121 6.54289 7.04244 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 7.46478 9.27814 14.0177 11.9486 14.9504 4.18248 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.77804 8.61597 11.5028 6.46195 12.2186 9.66837 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.02541 6.33923 11.4065 3.83194 12.2574 4.91212 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 9.02541 6.33923 11.4065 5.56913 7.75479 9.34782 numMergedOcc 0
10 mol 111 unq 2 iso 0 dist 9.02541 9.9801 10.4026 3.83194 12.2574 9.74162 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 6.32393 9.44 5.09579 12.8761 9.69937 5.31126 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 6.32393 9.44 5.09579 7.68828 5.45882 4.49669 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 6.32393 9.44 5.09579 8.44413 4.57487 6.00221 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 6.32393 8.47634 5.46299 12.8761 9.69937 7.16619 numMergedOcc 0
15 mol 113 unq 4 iso 0 dist 6.32393 8.47634 5.46299 7.68828 5.45882 5.88896 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 7.6489 5.39386 9.9402 3.75216 10.4624 3.82583 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 7.6489 5.39386 9.9402 6.64419 12.6781 8.25768 numMergedOcc 0
18 mol 147 unq 2 iso 0 dist 7.6489 5.79819 7.97454 3.75216 10.4624 5.19116 numMergedOcc 0
19 mol 147 unq 3 iso 0 dist 7.6489 5.79819 7.97454 6.64419 12.6781 8.71702 numMergedOcc 0
20 mol 151 unq 0 iso 0 dist 9.14139 5.91643 4.0895 6.07474 10.5191 9.37533 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.80672 7.15344 6.68247 6.82158 4.51124 8.32259 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 8.80672 7.15344 6.68247 11.8793 8.41517 8.54737 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 8.80672 9.98617 7.51762 6.82158 4.51124 9.93489 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 8.80672 9.98617 7.51762 11.8793 8.41517 7.64057 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 9.25515 9.11501 9.38032 9.99682 15.1527 7.04263 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 9.25515 9.11501 9.38032 7.52009 10.5694 6.48099 numMergedOcc 0
