0 mol 26 unq 0 iso 0 dist 7.89222 6.29981 6.07276 11.3643 5.30297 6.73167 14.0527 7.3022 10.267 7.61055 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.32127 4.56199 6.7142 9.32113 5.45023 7.90721 7.23962 5.497 5.11733 8.42581 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.04708 8.13434 8.20298 6.50983 5.14532 7.99016 5.70213 6.24515 5.94068 8.19733 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.04708 8.13434 8.20298 6.50983 5.14532 7.99016 11.2297 13.709 13.5954 8.57165 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.04708 9.18004 6.13351 6.50983 5.14532 6.41793 5.70213 6.24515 6.96883 8.19733 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 8.04708 9.18004 6.13351 6.50983 5.14532 6.41793 11.2297 13.709 13.0639 8.57165 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 8.60172 10.5216 7.77089 12.3526 4.22355 7.44838 6.21149 5.03173 4.67929 7.20953 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 6.73172 7.35282 8.72725 12.1921 15.0784 7.44041 13.4138 17.8039 9.69404 7.82011 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 9.58371 10.8566 9.97968 14.3843 10.8263 6.11331 13.4127 12.3466 9.88872 6.39981 numMergedOcc 0
9 mol 158 unq 1 iso 0 dist 7.13199 3.96267 9.97968 8.15524 10.8263 6.11331 10.1854 12.3466 9.88872 6.39981 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 8.65596 9.89725 9.35202 13.0443 7.97232 6.07821 6.56544 5.9032 4.27525 7.13269 numMergedOcc 0
11 mol 188 unq 0 iso 0 dist 7.47937 6.96531 8.66624 10.2019 5.0782 7.79115 12.4202 11.4648 6.39872 7.48284 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.51408 5.74211 6.22742 10.0764 6.0634 6.34234 10.883 14.0228 10.5776 9.79691 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 5.87056 10.8814 9.18728 13.1731 12.8075 9.43618 13.1968 12.2922 4.09934 7.1372 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 9.84311 10.8814 8.91971 13.1731 4.59123 9.43618 13.1968 7.57454 4.09934 7.1372 numMergedOcc 0
15 mol 227 unq 2 iso 0 dist 9.55881 15.3045 9.18728 19.9664 12.8075 9.43618 18.5199 12.2922 4.09934 7.1372 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.37358 9.64562 9.42255 12.4427 15.1378 7.37478 12.2605 17.3994 10.8722 8.23056 numMergedOcc 0
