0 mol 34 unq 0 iso 0 dist 6.17472 5.3372 6.87871 13.0456 8.95909 9.24927 9.48195 15.1968 9.99939 19.1023 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.7652 10.323 8.80331 7.80117 5.46849 9.02471 12.6657 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 7.80117 5.46849 9.02471 14.0654 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.53564 5.90113 9.74445 9.17086 10.323 8.80331 9.79386 5.46849 9.02471 12.6657 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 9.79386 5.46849 9.02471 14.0654 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.40844 5.33851 9.68526 10.1112 8.31041 9.38498 5.7576 8.0072 6.23522 4.73407 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.99156 5.33851 9.72442 10.1112 11.7069 9.38498 5.7576 9.61302 6.23522 4.73407 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.02351 13.6586 9.68526 11.0108 8.31041 9.38498 13.0161 8.0072 6.23522 4.73407 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 8.66342 16.8585 9.68526 16.3948 8.31041 9.38498 15.4845 8.0072 6.23522 4.73407 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.21285 16.8585 9.72442 16.3948 11.7069 9.38498 15.4845 9.61302 6.23522 4.73407 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 5.51185 9.11989 8.77773 8.97911 5.16122 6.57035 13.5672 9.58969 9.23765 7.89838 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 12.1389 6.42572 7.36792 13.6468 8.94532 5.54256 3.48119 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 12.1389 5.54551 7.36792 13.6468 6.94341 5.54256 3.48119 numMergedOcc 0
13 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 9.84673 6.42572 7.36792 9.5434 8.94532 5.54256 3.48119 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 11.8382 7.18757 7.5732 16.5663 13.1958 9.93438 6.25685 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 18.0518 12.4383 8.37808 16.2696 12.2092 4.42563 7.90729 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 8.26291 10.9365 7.83619 13.2314 10.0837 9.28393 8.12319 4.81304 5.92733 6.00473 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 7.86001 5.63567 7.83619 12.6804 10.0837 9.28393 9.04366 4.81304 5.92733 6.00473 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 12.0117 14.257 6.85062 8.44004 5.51548 8.80895 11.6692 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 8.7301 5.29825 6.5874 12.0117 7.60371 6.85062 8.44004 5.61122 8.80895 11.6692 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 18.0432 17.3816 9.00072 12.2243 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 18.0432 17.3816 9.00072 4.73288 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 18.0432 17.3816 9.00072 4.70284 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 13.5463 5.96451 9.29945 7.19751 10.8953 9.19156 13.8965 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 4.21935 4.77446 6.37342 6.83046 5.29737 6.16342 7.99963 7.72768 4.43499 4.32238 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 12.1604 10.7962 7.56915 12.6023 10.9841 9.83622 4.24652 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 12.6023 10.9841 9.83622 7.38951 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 9.2447 6.12463 9.696 12.2117 10.7962 7.56915 14.6926 10.9841 9.83622 4.24652 numMergedOcc 0
28 mol 274 unq 3 iso 0 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 14.6926 10.9841 9.83622 7.38951 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 20.3589 13.2927 9.7748 20.9727 11.5613 4.9764 11.8607 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 9.42812 16.2915 6.90434 20.3589 13.2927 9.7748 22.4051 13.0566 6.36559 10.9137 numMergedOcc 0
