0 mol 26 unq 0 iso 0 dist 8.64424 9.08976 10.851 8.23892 8.65828 14.3799 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.32784 8.60461 10.1348 6.11529 8.24422 13.2814 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.32784 8.60461 10.1348 11.7002 8.99724 17.2631 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 9.57176 9.1763 7.64202 5.81511 6.63518 10.9404 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 7.47638 6.65821 5.8086 4.87451 6.84257 9.49441 numMergedOcc 0
5 mol 37 unq 1 iso 0 dist 7.47638 6.65821 5.8086 12.8406 9.21102 14.7697 numMergedOcc 0
6 mol 37 unq 2 iso 0 dist 7.47638 6.02633 9.36335 4.87451 6.84257 10.0585 numMergedOcc 0
7 mol 37 unq 3 iso 0 dist 7.47638 6.02633 9.36335 12.8406 9.21102 16.1154 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.0081 9.63008 7.64232 7.96488 7.77128 12.3244 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 8.6659 9.74768 7.52543 6.39308 9.39801 10.5384 numMergedOcc 0
10 mol 99 unq 1 iso 0 dist 8.6659 9.74768 7.52543 6.04335 4.82346 9.58975 numMergedOcc 0
11 mol 99 unq 2 iso 0 dist 8.6659 9.74768 7.52543 6.13115 8.89165 13.3559 numMergedOcc 0
12 mol 99 unq 3 iso 0 dist 8.4731 9.74768 6.93979 6.39308 6.02154 10.5384 numMergedOcc 0
13 mol 99 unq 4 iso 0 dist 8.4731 9.74768 6.93979 6.04335 8.07233 9.58975 numMergedOcc 0
14 mol 105 unq 0 iso 0 dist 5.36878 9.79476 7.9126 7.72197 9.96269 6.88308 numMergedOcc 0
15 mol 105 unq 1 iso 0 dist 5.36878 5.74995 6.12741 7.72197 9.96269 10.5474 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 7.50959 9.02079 6.1956 4.66619 6.21554 8.28884 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.99149 7.82604 11.4557 16.8109 9.58817 18.7724 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.99149 8.22583 15.7228 16.8109 9.58817 20.812 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 7.13192 7.03719 6.8779 3.79373 7.71716 10.2826 numMergedOcc 0
20 mol 193 unq 1 iso 0 dist 7.13192 9.06161 11.477 3.79373 7.71716 9.53066 numMergedOcc 0
21 mol 193 unq 2 iso 0 dist 7.13192 8.97094 10.9583 3.79373 7.71716 12.3595 numMergedOcc 0
22 mol 203 unq 0 iso 0 dist 8.02341 9.92969 6.18353 7.84676 9.47882 13.8824 numMergedOcc 0
23 mol 203 unq 1 iso 0 dist 8.02341 9.92969 6.18353 4.31543 8.60067 10.1975 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.72321 8.58887 7.72327 10.5655 9.01742 14.3992 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 6.41279 9.85284 7.08867 8.81017 7.2154 13.3732 numMergedOcc 0
26 mol 255 unq 0 iso 0 dist 8.17286 7.60846 10.346 4.52659 7.16286 10.5766 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 7.96325 8.20751 5.70545 14.2761 9.53832 11.2991 numMergedOcc 0
