0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 14.1383 8.44506 13.2876 15.11 11.887 9.16962 19.4863 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 9.77186 8.44506 13.2876 19.97 11.887 9.16962 19.4863 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 7.56926 8.60739 9.06158 18.5268 9.49077 9.83618 16.8624 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 20.0169 15.209 7.75343 22.2111 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 20.0169 15.209 7.75343 19.9317 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 24.1237 15.209 7.75343 22.2111 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 24.1237 15.209 7.75343 19.9317 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 12.9632 8.56342 4.91132 17.222 10.6679 9.63176 5.85818 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 4.31572 6.37542 6.08167 17.222 10.6679 9.63176 13.4689 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.25528 11.4901 5.98885 6.09526 6.51749 5.93488 11.1264 5.4601 7.20046 7.345 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 6.09526 6.51749 5.93488 15.1056 10.0524 7.13543 9.52987 numMergedOcc 0
11 mol 181 unq 2 iso 0 dist 9.25528 11.9545 9.15386 6.09526 6.51749 7.64267 11.1948 8.25067 9.6668 11.1398 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 6.93447 7.24199 7.0057 8.15486 5.71262 8.36822 8.53433 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 6.83122 6.75833 8.85478 8.62938 6.38157 5.63388 6.74861 6.67959 7.46831 5.10114 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.2521 12.8083 6.22714 6.12311 5.64181 10.216 12.0613 5.17471 7.49471 6.44735 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 9.2521 10.1821 7.31233 6.12311 5.64181 7.83352 6.54661 10.4664 6.55759 8.6597 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 9.2521 10.1821 7.31233 6.12311 5.64181 7.83352 8.97261 11.2717 7.02475 7.47235 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 6.12311 5.64181 7.83352 13.7887 12.6986 7.67322 10.3116 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 9.2521 10.1821 7.31233 6.12311 5.64181 7.83352 12.0613 5.17471 7.19008 6.44735 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 13.7796 7.50201 11.056 18.825 9.37715 7.66365 10.1637 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 15.0738 5.79468 7.48005 6.39918 numMergedOcc 0
