0 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 10.0962 7.85986 4.21283 5.65754 9.63925 9.65174 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.6642 4.90592 8.56474 4.30252 4.97191 5.65754 9.63925 9.65174 10.2171 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 8.81498 9.36461 10.0962 7.85986 15.6099 14.5671 14.1137 9.41655 21.2047 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.3964 8.81498 9.36461 10.0962 7.85986 15.6099 14.1039 13.4584 6.803 20.7785 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.3964 8.81498 9.36461 8.56474 4.30252 12.5557 14.5671 14.1137 9.41655 15.9479 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.3964 8.81498 9.36461 8.56474 4.30252 12.5557 14.1039 13.4584 6.803 16.233 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 12.6093 9.11311 12.4814 16.4738 8.58071 9.41425 10.2035 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 6.90443 8.04853 14.1233 16.0463 11.5785 5.72961 18.6507 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 9.18097 11.155 8.70863 13.1381 6.46549 14.3481 16.0463 11.5785 5.72961 17.0286 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.83135 15.3247 8.70863 14.6513 8.04853 14.1233 15.0121 11.5785 5.72961 18.6507 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 8.83135 15.3247 8.70863 9.99421 6.46549 14.3481 15.0121 11.5785 5.72961 17.0286 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.6186 5.00872 8.57827 4.65353 9.22418 5.19513 8.01266 4.15826 7.87729 8.55237 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 9.15141 11.9665 4.74531 13.6484 8.1948 10.247 20.6814 11.8889 9.06016 13.5471 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 9.31025 7.6506 7.14263 7.86779 5.67088 5.21512 9.88912 6.17752 9.56342 10.7246 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 9.0087 8.07237 7.14263 5.29862 5.67088 5.21512 14.6517 6.17752 9.56342 10.7246 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 5.4455 10.3444 6.37788 11.7008 8.43182 8.68259 7.56217 3.7326 5.13892 5.10542 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 5.4455 10.3444 6.37788 11.7008 8.43182 8.68259 9.81055 7.29209 5.78717 4.68722 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 5.4455 14.1482 8.7028 11.7008 8.43182 9.38176 7.56217 3.7326 8.2232 5.10542 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.23057 11.501 9.17946 4.51847 6.81516 11.5523 15.1986 13.6793 5.19567 16.0515 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 6.23057 11.501 9.17946 13.1148 9.17562 10.2944 15.1986 13.6793 5.19567 15.2625 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 9.29788 4.60689 8.15091 12.9301 9.82605 8.4971 10.6968 10.4961 9.86765 11.9519 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 9.29788 4.60689 8.15091 12.9301 9.82605 8.4971 6.93942 5.68255 6.3738 10.2265 numMergedOcc 0
22 mol 253 unq 2 iso 0 dist 9.29788 4.60689 8.15091 8.8893 9.73723 4.30218 10.6968 10.4961 9.86765 10.9358 numMergedOcc 0
23 mol 253 unq 3 iso 0 dist 9.29788 4.60689 8.15091 8.8893 9.73723 4.30218 6.93942 5.68255 6.3738 8.66299 numMergedOcc 0
24 mol 253 unq 4 iso 0 dist 9.50983 9.18036 8.15091 16.4827 9.82605 8.4971 13.8658 10.4961 9.86765 11.9519 numMergedOcc 0
25 mol 253 unq 5 iso 0 dist 9.50983 9.18036 8.15091 16.4827 9.82605 8.4971 9.31626 5.68255 6.3738 10.2265 numMergedOcc 0
26 mol 253 unq 6 iso 0 dist 9.50983 9.18036 8.15091 13.3075 9.73723 4.30218 13.8658 10.4961 9.86765 10.9358 numMergedOcc 0
27 mol 253 unq 7 iso 0 dist 9.50983 9.18036 8.15091 13.3075 9.73723 4.30218 9.31626 5.68255 6.3738 8.66299 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 8.42086 10.796 8.67489 4.01024 8.46115 10.6248 19.732 17.93 9.9322 20.1183 numMergedOcc 0
29 mol 282 unq 1 iso 0 dist 7.84236 13.26 8.67489 4.4471 8.46115 10.6248 22.9608 17.93 9.9322 20.1183 numMergedOcc 0
