0 mol 61 unq 0 iso 0 dist 7.96502 8.43775 9.72716 5.25196 8.30431 6.27103 14.7737 9.97259 9.65903 11.3926 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 7.96502 8.43775 9.72716 6.97911 4.628 6.86236 14.7737 9.97259 9.65903 10.5339 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.16791 9.91575 8.44753 15.4318 7.09393 9.5091 16.4968 11.6088 9.04548 9.13371 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 9.16791 9.91575 8.44753 11.6163 3.87167 6.88345 16.4968 11.6088 9.04548 9.43916 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 8.45341 9.68657 8.4254 5.16705 9.62655 8.47281 9.32256 7.36782 7.19148 11.7643 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.8915 9.17593 8.70106 8.5691 7.81042 11.4822 12.252 10.6434 9.43076 17.6268 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.79014 9.85586 9.15982 4.97361 9.6874 14.0132 9.84557 5.33859 6.68983 12.707 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 6.4413 8.90222 5.86949 13.2694 9.71692 6.33907 12.1934 8.49619 9.23896 14.4931 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 6.4413 8.90222 5.86949 13.2694 9.71692 6.33907 13.4527 8.01366 6.02506 8.3656 numMergedOcc 0
9 mol 148 unq 2 iso 0 dist 6.4413 11.3382 6.72591 13.2694 9.71692 7.50382 13.4527 8.01366 9.8506 8.3656 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 6.62609 8.93873 5.84971 13.3379 9.73708 6.43607 12.4565 8.69407 9.46439 14.8273 numMergedOcc 0
11 mol 150 unq 1 iso 0 dist 6.62609 8.93873 5.84971 13.3379 9.73708 6.43607 13.6239 8.04136 6.07854 8.44633 numMergedOcc 0
12 mol 150 unq 2 iso 0 dist 6.62609 11.5334 6.80192 13.3379 9.73708 7.48524 13.6239 8.04136 9.91991 8.44633 numMergedOcc 0
13 mol 279 unq 0 iso 0 dist 6.85288 5.00251 5.00402 11.71 9.98985 10.1637 9.88022 7.38256 9.813 5.60922 numMergedOcc 0
14 mol 279 unq 1 iso 0 dist 6.85288 5.00251 5.00402 11.71 9.98985 10.1637 7.26637 5.37778 6.63442 15.044 numMergedOcc 0
15 mol 279 unq 2 iso 0 dist 6.85288 5.00251 5.00402 10.2918 7.22295 5.61514 9.88022 7.38256 9.813 10.2864 numMergedOcc 0
16 mol 279 unq 3 iso 0 dist 6.85288 5.00251 5.00402 10.2918 7.22295 5.61514 7.26637 5.37778 6.63442 10.5822 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 8.80626 9.56395 4.66252 10.6818 4.49185 5.44878 17.3017 10.6613 7.74312 9.94851 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 8.80626 9.56395 4.66252 10.6818 4.49185 5.44878 17.3017 10.6613 7.74312 9.94851 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 8.80626 9.56395 4.66252 10.6818 4.49185 5.44878 17.3017 10.6613 7.74312 9.94851 numMergedOcc 0
