0 mol 7 unq 0 iso 0 dist 8.88982 10.5313 6.22805 6.10226 5.70161 8.0166 4.24307 9.8603 9.33944 5.77374 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.88982 10.5313 6.22805 5.80034 4.57188 9.32945 4.24307 9.8603 9.33944 8.57437 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 6.46781 5.39032 8.86547 9.81175 10.4994 5.86972 13.3313 15.7229 8.40505 9.94799 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.04163 7.90858 4.24428 11.3999 8.04817 5.39171 14.7177 9.43662 7.53682 5.58346 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.04163 7.90858 4.24428 11.3999 8.04817 5.39171 20.9146 17.4326 14.7261 9.66744 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.04163 7.90858 4.24428 12.0249 9.76331 9.27355 14.7177 9.43662 7.53682 9.10386 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.88953 7.82091 4.24428 12.6863 8.04817 5.39171 14.9211 9.43662 7.53682 5.58346 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.88953 7.82091 4.24428 12.6863 8.04817 5.39171 21.607 17.4326 14.7261 9.66744 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.88953 7.82091 4.24428 16.1646 9.76331 9.27355 14.9211 9.43662 7.53682 9.10386 numMergedOcc 0
9 mol 212 unq 0 iso 0 dist 8.13678 14.0835 7.87125 17.5212 9.7586 9.26387 13.3406 8.062 7.5418 7.73701 numMergedOcc 0
10 mol 217 unq 0 iso 0 dist 7.52229 10.9243 9.90668 9.62606 5.42652 6.01666 14.9659 13.0482 4.10975 8.79299 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 9.23844 9.07015 9.85951 8.98518 6.80494 8.98362 10.1177 14.2312 9.42128 8.65696 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.51823 5.98533 8.89538 10.9762 10.4952 6.74214 8.46302 13.4809 6.12122 9.91921 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 6.51823 5.98533 8.89538 6.86905 7.22173 5.33462 8.46302 13.4809 6.12122 8.20243 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 8.18588 6.5604 6.40592 12.8152 4.86437 9.174 13.1806 9.18476 6.70277 8.15897 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 9.86979 14.3804 8.07341 20.4914 11.4733 9.58767 20.9497 14.2283 9.0218 7.03809 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.63115 7.34826 5.17586 13.558 6.03718 8.57035 9.73504 7.74162 6.05412 9.71653 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 8.88567 11.5286 8.40961 15.619 8.10688 7.02503 19.2182 13.1682 9.13465 7.10723 numMergedOcc 0
18 mol 280 unq 1 iso 0 dist 8.88567 11.5286 8.40961 15.619 8.10688 7.02503 18.1413 13.0794 7.59724 6.8664 numMergedOcc 0
19 mol 280 unq 2 iso 0 dist 8.88567 11.855 9.42213 15.619 8.10688 9.18164 19.2182 13.1682 14.2183 7.10723 numMergedOcc 0
20 mol 280 unq 3 iso 0 dist 8.88567 11.855 9.42213 15.619 8.10688 9.18164 18.1413 13.0794 7.88431 6.8664 numMergedOcc 0
