0 mol 46 unq 0 iso 0 dist 7.19406 7.44944 8.73361 6.35731 6.70122 4.96903 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.64067 8.34508 4.97125 7.79366 10.8667 10.1644 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 8.4689 6.8025 5.42608 8.73268 6.71593 5.04643 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 4.3761 3.90209 8.19607 9.66226 11.2155 8.83348 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.84583 3.90209 4.67787 9.66226 9.51607 8.83348 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.08937 5.72842 10.1337 8.11279 4.86724 11.4018 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 9.20442 9.83003 6.41259 9.38149 8.92172 14.1543 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 7.7195 6.01062 9.44471 8.53734 4.98945 9.46427 numMergedOcc 0
8 mol 171 unq 1 iso 0 dist 7.7195 8.63202 12.1824 8.53734 4.98945 9.21862 numMergedOcc 0
9 mol 171 unq 2 iso 0 dist 9.43988 6.01062 10.1365 8.53734 13.7258 9.46427 numMergedOcc 0
10 mol 171 unq 3 iso 0 dist 9.43988 8.63202 7.47696 8.53734 13.7258 9.21862 numMergedOcc 0
11 mol 171 unq 4 iso 0 dist 8.30819 4.46397 12.1824 6.08141 4.98945 9.21862 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 8.91036 8.82137 16.1177 7.3879 7.6477 10.735 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 8.91036 8.82137 16.1177 9.70728 5.04427 14.6187 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.37765 9.92602 8.95042 9.56023 6.24225 14.1678 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 7.67675 8.79252 13.7145 7.89739 6.48939 10.1999 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 7.67675 8.79252 13.7145 6.12161 5.81626 8.68266 numMergedOcc 0
17 mol 212 unq 2 iso 0 dist 7.67675 8.09995 9.48834 7.89739 6.48939 11.9681 numMergedOcc 0
18 mol 212 unq 3 iso 0 dist 7.67675 8.09995 9.48834 6.12161 5.81626 5.90313 numMergedOcc 0
19 mol 212 unq 4 iso 0 dist 7.35349 9.52641 4.95466 8.06858 4.69067 9.63106 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 8.73545 7.67027 15.6432 5.83278 11.4985 5.67483 numMergedOcc 0
21 mol 233 unq 1 iso 0 dist 8.14581 7.67027 10.9337 5.83278 5.74726 5.67483 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 5.67249 8.70264 7.26273 8.88567 6.06471 13.2928 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 5.67249 8.70264 7.26273 9.45787 11.1213 16.2735 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 6.5095 8.90779 3.69457 7.24253 10.2558 12.9425 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 6.5095 8.90779 3.69457 7.83742 7.31632 6.23992 numMergedOcc 0
26 mol 243 unq 2 iso 0 dist 5.1766 8.90779 9.10714 7.24253 3.87679 12.9425 numMergedOcc 0
27 mol 243 unq 3 iso 0 dist 5.1766 8.90779 9.10714 7.83742 10.9686 6.23992 numMergedOcc 0
