0 mol 24 unq 0 iso 0 dist 9.7649 8.97755 8.6586 10.5243 8.25818 10.3497 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 7.14863 8.6586 10.2093 8.25818 10.3497 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 12.1174 8.76224 10.8301 8.53424 11.7233 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.56722 12.1174 8.76224 10.0008 7.08766 13.0183 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.56722 12.1174 8.76224 7.55139 4.82199 10.9699 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.51901 10.1564 7.25138 4.29679 4.46067 6.13411 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 9.1926 10.5761 7.25138 8.07308 4.46067 6.13411 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.63792 4.35001 6.46582 8.58059 7.66068 9.68005 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.63792 4.35001 6.46582 14.7497 9.5043 14.6547 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 8.63792 4.35001 6.46582 14.3572 8.34132 14.1202 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.39335 12.3044 6.73466 11.779 9.07629 4.15443 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.39335 12.3044 6.73466 13.0405 8.61143 5.83035 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.46616 11.533 7.39028 3.79265 9.51764 9.3283 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 9.46616 11.533 7.39028 13.1376 9.29327 3.98588 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.44 15.0126 7.96893 12.8761 5.31126 3.74516 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 9.44 15.0126 7.96893 7.68828 4.49669 7.32784 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 9.44 15.0126 7.96893 8.44413 6.00221 8.46561 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.44206 10.1556 8.03124 10.0743 9.31385 6.03314 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 8.44206 10.1556 8.03124 5.56137 6.98791 4.74539 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 9.78884 12.3435 8.03124 10.2233 9.31385 6.03314 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 9.78884 12.3435 8.03124 7.75617 6.98791 4.74539 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 5.91643 4.85702 9.98086 6.07474 9.37533 9.37572 numMergedOcc 0
22 mol 151 unq 1 iso 0 dist 5.91643 4.18174 8.89982 6.07474 9.37533 8.61721 numMergedOcc 0
23 mol 151 unq 2 iso 0 dist 5.91643 4.20596 6.12972 6.07474 9.37533 3.96406 numMergedOcc 0
24 mol 176 unq 0 iso 0 dist 8.00223 6.25297 7.26558 3.84631 6.85902 3.58164 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 7.15344 3.89328 9.12524 6.82158 8.32259 5.8523 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 7.15344 3.89328 9.12524 11.8793 8.54737 10.6525 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 6.45095 3.63541 7.40498 6.41178 7.83831 3.4982 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 9.11501 12.3297 7.88108 9.99682 7.04263 3.43711 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 9.11501 12.3297 7.88108 7.52009 6.48099 8.84611 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 5.28746 7.5048 9.35293 9.23405 6.96692 7.2339 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 5.28746 7.5048 9.35293 11.313 8.25286 12.15 numMergedOcc 0
32 mol 266 unq 2 iso 0 dist 5.28746 7.5048 9.35293 13.005 9.9965 14.8334 numMergedOcc 0
33 mol 266 unq 3 iso 0 dist 5.28746 8.13064 7.93375 9.23405 6.96692 3.87565 numMergedOcc 0
34 mol 266 unq 4 iso 0 dist 5.28746 8.13064 7.93375 11.313 8.25286 9.25882 numMergedOcc 0
35 mol 266 unq 5 iso 0 dist 5.28746 8.13064 7.93375 13.005 9.9965 12.1357 numMergedOcc 0
36 mol 281 unq 0 iso 0 dist 9.05453 9.92739 6.82918 16.2801 7.90368 13.5758 numMergedOcc 0
37 mol 281 unq 1 iso 0 dist 9.05453 9.92739 6.82918 9.81081 6.69267 7.74065 numMergedOcc 0
38 mol 283 unq 0 iso 0 dist 9.82274 11.2468 8.85163 4.3196 7.31132 9.87139 numMergedOcc 0
39 mol 283 unq 1 iso 0 dist 7.17276 5.70683 8.85163 6.30031 7.31132 9.87139 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 9.14217 10.3226 7.84189 9.84883 4.68668 9.51119 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 9.14217 10.3226 7.84189 9.84883 4.68668 9.51119 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 9.14217 10.3226 7.84189 9.84883 4.68668 9.51119 numMergedOcc 0
