0 mol 9 unq 0 iso 0 dist 9.27637 6.11048 6.00657 11.8296 6.59455 11.0886 17.7658 13.7528 17.6516 7.35972 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 5.11617 4.90592 7.85986 6.73939 10.0715 12.2839 6.72323 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 4.7841 4.97191 5.11617 4.90592 4.30252 6.73939 10.0715 6.22954 6.72323 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 10.9837 9.5053 9.11311 11.9684 5.66783 12.5394 6.56527 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.44506 8.31381 15.4838 10.9837 9.5053 15.3903 11.9684 5.66783 17.602 6.56527 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 11.165 8.70863 10.3185 15.6553 8.31077 8.44 9.66222 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.26086 7.92856 8.67903 7.06961 8.43352 13.6994 11.3043 8.02554 14.0839 7.36769 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.26086 7.92856 8.67903 7.06961 8.43352 13.6994 6.65501 11.2092 11.6496 6.88901 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.34525 9.93438 13.7162 12.7083 9.35942 19.774 14.1487 10.5177 23.4611 8.42878 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.99623 7.60162 8.90156 7.45148 9.9151 6.21165 8.99399 4.99495 5.77063 7.20249 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 13.1439 5.44303 15.122 14.9021 5.66194 13.2414 5.87084 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.69515 7.46621 10.7652 10.1386 4.46777 13.7754 11.0743 5.38571 15.4031 6.83404 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 11.6598 5.68348 8.13022 12.4952 7.50057 12.7379 6.38324 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 11.6598 5.68348 8.13022 8.65535 5.92931 3.7326 6.1886 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.83711 8.25985 6.20756 4.9377 6.57921 9.78273 13.7227 7.86594 12.3206 9.78181 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 7.83711 8.25985 6.20756 4.9377 6.57921 9.78273 9.05071 13.8622 12.159 9.8664 numMergedOcc 0
16 mol 232 unq 2 iso 0 dist 7.83711 9.27788 11.7554 4.9377 6.57921 11.9664 13.7227 7.86594 16.6926 9.78181 numMergedOcc 0
17 mol 232 unq 3 iso 0 dist 7.83711 9.27788 11.7554 4.9377 6.57921 11.9664 9.05071 13.8622 8.36223 9.8664 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.56685 9.83622 8.10746 5.29529 8.2997 9.2199 9.85289 5.36428 5.14522 6.88827 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.56685 9.83622 8.10746 5.29529 8.2997 9.2199 14.1515 14.986 15.0518 9.16942 numMergedOcc 0
