0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 10.6 6.81066 12.1093 12.4163 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 10.6 6.81066 11.3894 12.4163 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 5.86882 6.07553 5.47982 8.21811 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 9.9259 6.48457 9.16583 5.13078 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 7.6222 8.80127 4.87192 12.7968 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 7.6222 8.80127 4.87192 9.54357 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 11.7026 8.80127 4.87192 11.9118 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 11.7026 8.80127 4.87192 8.70016 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 8.42544 9.07906 14.341 12.7689 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 7.2846 9.44459 5.73693 9.33906 6.42339 10.7651 4.91588 7.742 9.70849 12.1023 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 6.10251 8.43677 11.6727 13.02 numMergedOcc 0
11 mol 60 unq 1 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 6.67875 7.77255 12.8837 11.6363 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 4.55137 8.20715 8.81779 4.22806 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 9.11204 8.44333 7.79894 4.43082 8.4173 8.78897 13.2883 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 7.17202 4.92088 9.79302 9.11204 14.9499 7.79894 4.43082 6.55543 8.78897 13.2883 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 4.527 9.83935 11.5496 7.54492 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 6.16261 6.40086 13.7859 8.60053 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.15764 7.40852 4.34126 3.6688 6.38733 8.62955 9.03266 numMergedOcc 0
18 mol 252 unq 1 iso 0 dist 7.19638 6.86945 5.25252 7.15764 7.40852 4.34126 6.57801 9.64349 12.2989 12.7486 numMergedOcc 0
