0 mol 26 unq 0 iso 0 dist 7.10804 14.4334 8.65828 15.2306 8.36742 4.28862 14.5987 8.90517 12.5406 8.97754 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.64424 8.23892 8.65828 8.82979 8.36742 4.28862 13.5781 8.90517 12.5406 8.97754 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.32784 6.11529 8.24422 10.9344 5.75809 8.89273 13.3971 6.51818 9.4148 9.2146 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.32784 11.7002 8.99724 10.9344 5.75809 8.10455 13.3971 6.51818 6.87842 9.2146 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.10681 6.10527 4.50643 15.0854 7.07773 9.30664 16.8345 8.03682 12.4084 7.34832 numMergedOcc 0
5 mol 37 unq 0 iso 0 dist 7.47638 4.87451 6.84257 3.96491 8.5893 6.15909 9.15499 6.28359 11.4295 9.59073 numMergedOcc 0
6 mol 37 unq 1 iso 0 dist 7.47638 12.8406 9.21102 3.96491 8.5893 12.5114 9.15499 6.28359 14.8933 9.59073 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 7.95922 6.01377 8.86053 5.05915 8.82943 10.8914 11.7402 7.71511 15.4231 8.68887 numMergedOcc 0
8 mol 39 unq 1 iso 0 dist 7.95922 11.0291 8.76925 5.05915 8.82943 13.1234 11.7402 7.71511 14.5286 8.68887 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 8.80303 9.66182 9.96522 10.3901 7.62814 4.04498 19.3068 13.2646 12.687 9.41463 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 9.26044 5.22517 8.92121 11.2097 7.14918 11.6389 15.1546 6.96767 13.2541 7.97504 numMergedOcc 0
11 mol 279 unq 0 iso 0 dist 5.15432 9.70626 8.51994 11.1754 7.72276 6.12997 9.16404 4.1816 10.9344 7.90632 numMergedOcc 0
12 mol 279 unq 1 iso 0 dist 8.2375 4.37055 8.51994 9.62805 7.72276 6.12997 11.7177 4.1816 10.9344 7.90632 numMergedOcc 0
13 mol 279 unq 2 iso 0 dist 9.23951 5.46911 8.51994 8.30922 7.72276 6.12997 12.4902 4.1816 10.9344 7.90632 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 9.98518 9.11127 13.5766 8.06767 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 10.8038 18.3972 18.8198 9.91087 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 9.98518 9.11127 13.5766 8.06767 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 10.8038 18.3972 18.8198 9.91087 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 9.98518 9.11127 13.5766 8.06767 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 8.85872 9.44841 7.58907 3.76412 9.2144 9.21351 10.8038 18.3972 18.8198 9.91087 numMergedOcc 0
