0 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 5.89134 4.41134 5.93269 8.4069 9.62879 13.3876 10.4604 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.82505 9.78051 5.55659 8.63502 8.20465 5.3298 5.17568 9.97507 10.2713 7.876 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 7.97324 8.33878 6.37382 7.67038 8.4674 13.4721 14.6813 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 8.78293 10.9543 7.97324 8.33878 6.37382 5.03957 7.82074 12.6444 10.9181 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 8.23643 6.55187 7.97324 8.33878 7.24362 7.67038 8.4674 14.6255 14.6813 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 7.97324 8.33878 7.24362 5.03957 7.82074 8.73972 10.9181 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 7.97324 8.33878 13.3417 7.67038 8.4674 6.20943 14.6813 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 7.97324 8.33878 13.3417 5.03957 7.82074 10.2708 10.9181 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 6.864 8.78293 11.4401 7.97324 11.8689 6.37382 7.67038 4.51865 13.4721 14.6813 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 6.864 8.23643 12.3093 7.97324 11.8689 7.24362 7.67038 4.51865 14.6255 14.6813 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 6.864 7.82528 4.69858 7.97324 11.8689 13.3417 7.67038 4.51865 6.20943 14.6813 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 9.61998 7.72775 5.09339 10.0952 8.86116 12.4274 15.8896 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 6.20293 9.83618 9.49077 6.79185 5.54797 6.17433 5.06502 5.73819 13.5377 8.92291 numMergedOcc 0
13 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 6.79185 5.54797 6.17433 6.45462 8.93915 13.7177 8.37962 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 8.96978 4.45372 6.33215 8.24309 9.78528 11.9814 11.4456 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 9.33919 7.9151 13.2106 5.4148 6.19304 4.65521 9.79143 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 9.33919 7.9151 13.2106 14.9342 8.70481 15.9587 6.43377 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 5.4148 9.96396 8.70133 9.33919 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 9.79143 7.9151 13.2106 13.3558 8.70481 15.9587 6.43377 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.30021 10.4545 4.59398 6.9948 7.47541 7.22293 5.62635 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 5.62635 10.4545 4.59398 6.9948 7.97049 9.47876 9.30021 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 7.47541 7.22293 7.98917 7.07868 9.87083 10.755 6.9948 7.97049 9.47876 13.5621 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 6.19965 9.47876 11.6116 9.30021 12.3178 4.59398 4.26409 7.95579 13.6587 13.2368 numMergedOcc 0
23 mol 85 unq 4 iso 0 dist 6.19965 9.47876 11.6116 9.30021 12.3178 4.59398 6.9948 7.66905 7.22293 5.62635 numMergedOcc 0
24 mol 85 unq 5 iso 0 dist 7.66905 7.22293 11.6116 5.62635 12.3178 4.59398 10.7229 7.95579 13.6587 13.2368 numMergedOcc 0
25 mol 85 unq 6 iso 0 dist 7.66905 7.22293 11.6116 5.62635 12.3178 4.59398 6.9948 6.19965 9.47876 9.30021 numMergedOcc 0
26 mol 85 unq 7 iso 0 dist 7.66905 7.22293 11.6116 7.07868 11.3372 10.755 10.7229 7.95579 13.6587 17.1126 numMergedOcc 0
27 mol 85 unq 8 iso 0 dist 7.66905 7.22293 11.6116 7.07868 11.3372 10.755 6.9948 6.19965 9.47876 13.5621 numMergedOcc 0
28 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 6.066 6.81076 7.39092 5.57085 8.31336 10.6733 9.36032 numMergedOcc 0
29 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 6.066 6.81076 8.30564 5.57085 8.31336 8.69012 9.36032 numMergedOcc 0
30 mol 117 unq 0 iso 0 dist 7.90328 6.62561 4.91401 8.2236 11.1062 6.37061 7.22206 7.83136 7.63616 11.3487 numMergedOcc 0
31 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 8.2236 11.1062 6.37061 9.3584 7.0603 10.6107 15.9037 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 5.08591 8.19969 9.19032 6.2715 5.6234 12.816 8.03727 numMergedOcc 0
33 mol 175 unq 1 iso 0 dist 9.0018 9.31887 11.0415 5.08591 8.19969 9.19032 8.16421 6.57069 11.3137 10.9009 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 7.652 9.31887 5.0384 5.08591 5.33769 9.19032 6.2715 9.92231 12.816 8.03727 numMergedOcc 0
35 mol 175 unq 3 iso 0 dist 5.6234 9.0664 5.28109 8.03727 8.19969 7.15144 6.2715 9.0018 10.689 5.08591 numMergedOcc 0
36 mol 175 unq 4 iso 0 dist 5.6234 9.0664 5.28109 8.03727 8.19969 7.15144 5.35493 6.57069 11.5506 10.9009 numMergedOcc 0
37 mol 175 unq 5 iso 0 dist 9.92231 9.0664 7.14477 8.03727 5.33769 7.15144 6.2715 7.652 10.689 5.08591 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 6.56247 6.25105 11.216 7.72403 8.83842 6.81789 5.88703 9.45496 7.85175 6.35438 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 9.36357 6.25105 11.4315 7.72403 5.43327 6.81789 5.88703 6.7625 7.85175 6.35438 numMergedOcc 0
40 mol 234 unq 2 iso 0 dist 9.45496 9.5707 15.9563 6.35438 8.83842 10.0213 5.88703 6.56247 10.3388 7.72403 numMergedOcc 0
41 mol 234 unq 3 iso 0 dist 9.45496 7.85175 11.216 6.35438 8.83842 6.81789 5.88703 6.56247 6.25105 7.72403 numMergedOcc 0
42 mol 234 unq 4 iso 0 dist 6.7625 9.5707 14.4106 6.35438 5.43327 10.0213 5.88703 9.36357 10.3388 7.72403 numMergedOcc 0
43 mol 234 unq 5 iso 0 dist 6.7625 7.85175 11.4315 6.35438 5.43327 6.81789 5.88703 9.36357 6.25105 7.72403 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 7.64122 10.1317 5.15985 4.69778 8.13497 10.9591 11.9769 numMergedOcc 0
