0 mol 34 unq 0 iso 0 dist 6.17472 5.3372 6.87871 9.48195 15.1968 9.99939 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 7.80117 5.46849 9.02471 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 9.79386 5.46849 9.02471 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.40844 5.33851 9.68526 5.7576 8.0072 6.23522 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.99156 5.33851 9.72442 5.7576 9.61302 6.23522 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.02351 13.6586 9.68526 13.0161 8.0072 6.23522 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.66342 16.8585 9.68526 15.4845 8.0072 6.23522 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 7.21285 16.8585 9.72442 15.4845 9.61302 6.23522 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 5.51185 9.11989 8.77773 13.5672 9.58969 9.23765 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 13.6468 8.94532 5.54256 numMergedOcc 0
10 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 13.6468 6.94341 5.54256 numMergedOcc 0
11 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 9.5434 8.94532 5.54256 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 8.41868 10.9559 8.42147 14.2302 10.3018 9.06601 numMergedOcc 0
13 mol 111 unq 1 iso 0 dist 8.41868 10.9559 8.42147 11.9364 4.88926 5.98809 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 16.5663 13.1958 9.93438 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 16.2696 12.2092 4.42563 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 8.26291 5.25879 8.54461 8.12319 4.81304 8.81797 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 8.26291 10.9365 7.83619 8.12319 4.81304 5.92733 numMergedOcc 0
18 mol 130 unq 2 iso 0 dist 7.86001 10.7254 8.54461 9.04366 4.81304 8.81797 numMergedOcc 0
19 mol 130 unq 3 iso 0 dist 7.86001 5.63567 7.83619 9.04366 4.81304 5.92733 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 8.44004 5.51548 8.80895 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 8.7301 5.29825 6.5874 8.44004 5.61122 8.80895 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 18.0432 17.3816 9.00072 numMergedOcc 0
23 mol 174 unq 0 iso 0 dist 8.67807 11.932 8.76218 15.7025 9.23383 5.61673 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 7.19751 10.8953 9.19156 numMergedOcc 0
25 mol 183 unq 0 iso 0 dist 9.81282 6.00494 7.31181 14.2416 10.7786 9.96536 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 8.84278 8.28789 4.58599 16.8412 10.5963 9.09354 numMergedOcc 0
27 mol 213 unq 1 iso 0 dist 8.84278 8.28789 4.58599 10.0436 5.36904 4.66576 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 7.33708 11.4953 8.68464 10.9832 3.79439 8.60731 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 4.46314 5.20266 8.68464 4.76819 3.79439 8.60731 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 4.21935 4.77446 6.37342 7.99963 7.72768 4.43499 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 5.65496 5.99362 5.36776 15.1379 12.8843 9.6834 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 8.19772 4.36105 9.59213 9.92275 13.876 8.54108 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 7.59956 11.3084 9.02749 14.266 12.2201 8.12739 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 7.59956 11.3084 9.02749 16.0242 12.2802 6.09853 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 8.05503 16.897 9.02749 19.8211 12.2201 8.12739 numMergedOcc 0
36 mol 274 unq 3 iso 0 dist 8.05503 16.897 9.02749 20.1079 12.2802 6.09853 numMergedOcc 0
37 mol 274 unq 4 iso 0 dist 5.59151 13.8866 9.02749 14.3673 12.2201 8.12739 numMergedOcc 0
38 mol 274 unq 5 iso 0 dist 5.59151 13.8866 9.02749 15.6735 12.2802 6.09853 numMergedOcc 0
39 mol 274 unq 6 iso 0 dist 9.96645 6.04536 9.696 12.6023 10.9841 9.83622 numMergedOcc 0
40 mol 274 unq 7 iso 0 dist 9.2447 6.12463 9.696 14.6926 10.9841 9.83622 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 9.42812 17.0927 9.02914 20.9727 11.5613 7.42932 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 9.42812 16.2915 6.90434 20.9727 11.5613 4.9764 numMergedOcc 0
43 mol 277 unq 2 iso 0 dist 9.42812 16.2915 6.90434 22.4051 13.0566 6.36559 numMergedOcc 0
