0 mol 43 unq 0 iso 0 dist 9.16827 7.56926 8.60739 14.9909 8.13395 9.93832 12.092 6.20293 9.06158 8.80331 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 7.95122 7.98177 9.31969 9.74268 5.22626 6.54023 6.95018 10.1773 9.03317 9.65964 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 9.24996 6.05887 8.16733 10.633 7.49897 9.97569 5.68258 10.1664 5.60279 7.89459 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 13.3176 4.85907 7.99857 18.9741 12.6489 7.61939 9.87172 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 6.38977 6.53994 8.86329 9.69757 5.55373 8.71039 6.82985 8.40312 5.89022 7.12972 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 9.69757 6.53994 8.71039 6.38977 5.55373 8.86329 6.82985 7.12972 5.89022 8.40312 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 9.69757 13.4383 6.92648 12.5659 6.63273 9.29384 6.82985 7.12972 9.32969 6.85062 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 11.3822 10.1912 7.20392 11.4901 5.98885 5.93488 9.09537 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 7.2527 9.87539 6.66971 7.13194 10.0191 7.32982 9.05069 13.5431 12.3808 5.72887 numMergedOcc 0
9 mol 238 unq 1 iso 0 dist 9.29203 10.4401 6.66971 7.80166 10.0191 7.32982 6.77788 13.5431 12.3808 5.72887 numMergedOcc 0
10 mol 238 unq 2 iso 0 dist 7.62771 10.4401 6.4398 7.80166 10.1648 7.32982 6.77788 12.8711 12.3808 5.72887 numMergedOcc 0
11 mol 238 unq 3 iso 0 dist 9.41975 7.3781 7.61393 12.0016 6.85126 5.64181 17.4707 12.6642 10.216 6.22714 numMergedOcc 0
12 mol 238 unq 4 iso 0 dist 9.41975 7.3781 7.61393 12.0016 6.85126 5.64181 15.0377 13.1583 7.83352 7.31233 numMergedOcc 0
13 mol 238 unq 5 iso 0 dist 8.51359 6.12311 7.61393 9.2521 6.85126 5.64181 12.8083 12.6642 10.216 6.22714 numMergedOcc 0
14 mol 238 unq 6 iso 0 dist 8.51359 6.12311 7.61393 9.2521 6.85126 5.64181 10.1821 13.1583 7.83352 7.31233 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 9.78185 13.7796 7.50201 15.1099 6.0987 6.53679 17.5012 8.33025 11.056 8.1148 numMergedOcc 0
16 mol 252 unq 1 iso 0 dist 9.78185 13.7796 7.50201 15.1099 6.0987 6.53679 16.8096 9.2288 5.23748 8.1715 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.22378 4.56307 6.70815 10.6039 7.26417 7.99477 6.8193 6.60405 7.42673 6.42289 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 18.3451 9.98105 8.59697 18.5731 11.858 7.31951 5.30224 numMergedOcc 0
