0 mol 11 unq 0 iso 0 dist 7.92563 11.9204 6.83186 13.7176 6.51674 9.81983 numMergedOcc 0
1 mol 31 unq 0 iso 0 dist 9.97586 4.493 9.95496 8.54682 3.57805 9.67338 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.06999 5.19109 7.7485 8.14146 3.56619 9.87699 numMergedOcc 0
3 mol 107 unq 0 iso 0 dist 7.2697 8.10328 8.19484 13.5112 8.49625 7.89505 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.28997 9.40786 5.31126 14.3803 6.29259 7.40338 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 8.28997 9.40786 5.31126 15.0569 8.17309 6.23759 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 8.54311 9.40786 7.16619 14.3803 7.08122 7.40338 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 8.54311 9.40786 7.16619 15.0569 9.30967 6.23759 numMergedOcc 0
8 mol 113 unq 4 iso 0 dist 7.98399 9.26558 5.31126 6.25088 6.29259 7.40338 numMergedOcc 0
9 mol 113 unq 5 iso 0 dist 7.98399 9.26558 5.31126 8.23837 8.17309 6.23759 numMergedOcc 0
10 mol 113 unq 6 iso 0 dist 9.72242 11.6507 7.02358 8.23837 3.52111 5.35711 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.7638 8.42353 7.53342 6.10988 4.94367 7.84546 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 7.5669 9.08641 5.10589 6.66976 6.28646 7.85698 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 7.5669 9.08641 5.10589 8.36806 7.83748 6.35799 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 6.87466 9.16839 5.58222 11.733 5.59732 4.36333 numMergedOcc 0
15 mol 256 unq 1 iso 0 dist 6.87466 9.16839 5.58222 8.96004 3.96807 6.96483 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 6.5191 10.9233 5.88958 13.2051 8.78384 8.79261 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 6.5191 14.0087 7.78121 13.2051 8.78384 9.99125 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.42001 4.0634 4.68668 10.3165 9.88575 8.58427 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.42001 4.0634 4.68668 10.3165 9.88575 8.58427 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.42001 4.0634 4.68668 10.3165 9.88575 8.58427 numMergedOcc 0
