0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 5.66529 5.77753 6.2983 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 5.66529 5.77753 6.2983 5.47769 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 10.0721 6.4154 7.41074 8.70133 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 10.0721 6.4154 7.41074 4.65521 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.40844 5.33851 9.68526 10.1112 8.31041 9.38498 10.0721 9.51458 13.4082 8.70133 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 10.0721 9.51458 7.41074 8.70133 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 10.0721 9.51458 7.41074 4.65521 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.40844 15.7164 9.30776 10.1112 8.31041 9.75218 10.0721 9.51458 15.9882 8.70133 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 6.99156 5.33851 9.72442 10.1112 11.7069 9.38498 10.0721 10.9127 13.4082 8.70133 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 7.02351 13.6586 9.68526 11.0108 8.31041 9.38498 15.2122 9.51458 13.4082 8.70133 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 15.2122 9.51458 7.41074 8.70133 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 15.2122 9.51458 7.41074 4.65521 numMergedOcc 0
12 mol 73 unq 10 iso 0 dist 7.02351 4.15333 9.30776 11.0108 8.31041 9.75218 15.2122 9.51458 15.9882 8.70133 numMergedOcc 0
13 mol 73 unq 11 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 13.2987 6.4154 7.41074 8.70133 numMergedOcc 0
14 mol 73 unq 12 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 13.2987 6.4154 7.41074 4.65521 numMergedOcc 0
15 mol 73 unq 13 iso 0 dist 8.66342 16.8585 9.68526 16.3948 8.31041 9.38498 13.2987 9.51458 13.4082 8.70133 numMergedOcc 0
16 mol 73 unq 14 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 13.2987 9.51458 7.41074 8.70133 numMergedOcc 0
17 mol 73 unq 15 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 13.2987 9.51458 7.41074 4.65521 numMergedOcc 0
18 mol 73 unq 16 iso 0 dist 8.66342 16.0481 9.30776 16.3948 8.31041 9.75218 13.2987 9.51458 15.9882 8.70133 numMergedOcc 0
19 mol 73 unq 17 iso 0 dist 7.21285 16.8585 9.72442 16.3948 11.7069 9.38498 13.2987 10.9127 13.4082 8.70133 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 12.1389 6.42572 7.36792 12.7125 11.9326 5.498 9.94856 numMergedOcc 0
21 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 12.1389 5.54551 7.36792 12.7125 9.50209 5.498 9.94856 numMergedOcc 0
22 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 9.84673 6.42572 7.36792 7.6114 11.9326 5.498 9.94856 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 5.70073 12.907 4.91401 6.62561 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 5.70073 12.907 4.91401 7.63616 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 11.9162 11.6317 6.29785 9.36805 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 11.9162 11.6317 6.29785 7.55203 numMergedOcc 0
27 mol 156 unq 2 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 14.0632 11.6317 6.29785 9.36805 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 14.0632 11.6317 6.29785 7.55203 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 5.24956 6.35728 6.67959 7.46831 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 8.58709 5.1021 9.8711 6.21273 4.90657 9.23153 5.33649 10.4686 6.7067 6.84247 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 8.58709 5.1021 9.8711 6.21273 4.90657 9.23153 12.5011 10.0817 15.9568 6.99002 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 4.78647 5.04916 7.61682 7.18956 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 7.46044 13.1803 9.75313 10.6043 6.46679 6.61986 5.56344 9.04427 10.7113 8.19953 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 4.99301 5.25583 6.56437 13.0296 14.2632 8.95269 11.5915 14.4755 7.98696 6.87664 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 6.36813 5.25583 6.23882 13.0296 15.0038 8.95269 11.5915 12.5784 7.98696 6.87664 numMergedOcc 0
36 mol 224 unq 3 iso 0 dist 7.7163 11.8217 9.34636 7.07564 5.63485 8.95269 4.92261 8.60781 7.98696 6.87664 numMergedOcc 0
37 mol 224 unq 4 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 4.92261 8.60781 7.12232 6.87664 numMergedOcc 0
38 mol 224 unq 5 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 4.92261 11.0076 5.3621 6.87664 numMergedOcc 0
39 mol 224 unq 6 iso 0 dist 9.06201 11.9904 9.34636 10.9817 5.63485 8.95269 6.78064 8.60781 7.98696 6.87664 numMergedOcc 0
40 mol 224 unq 7 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 6.78064 8.60781 7.12232 6.87664 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 10.2228 8.34104 6.43754 8.17891 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 18.3925 13.6158 14.6185 9.62609 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 10.2228 8.34104 6.43754 6.95902 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 10.1071 17.5201 11.662 8.83563 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 6.32593 6.53984 9.75174 12.6391 13.477 6.57393 11.121 12.9258 6.20606 5.38637 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 13.5005 13.899 9.37715 7.66365 numMergedOcc 0
47 mol 252 unq 1 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 15.0448 13.899 9.37715 7.66365 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 6.13137 5.12523 6.8406 7.97444 numMergedOcc 0
49 mol 274 unq 1 iso 0 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 5.06306 5.12523 6.8406 7.97444 numMergedOcc 0
50 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 10.4249 10.0733 6.3384 6.85028 numMergedOcc 0
51 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 10.4249 10.0733 6.3384 7.32347 numMergedOcc 0
52 mol 282 unq 2 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 10.4249 11.4393 6.3384 6.85028 numMergedOcc 0
53 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 10.4249 11.4393 6.3384 7.32347 numMergedOcc 0
