0 mol 12 unq 0 iso 0 dist 7.68446 9.23849 5.44478 10.9336 5.03514 8.79013 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.66616 5.1218 8.41008 11.0874 11.7739 6.04822 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.66616 5.1218 8.41008 12.0667 9.6251 7.72717 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.96502 8.43775 9.72716 14.7737 9.97259 9.65903 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 9.16791 9.91575 8.44753 16.4968 11.6088 9.04548 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 8.45341 9.68657 8.4254 9.32256 7.36782 7.19148 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 7.95136 9.17593 5.72494 12.252 4.78648 9.43076 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 5.8915 9.17593 8.70106 12.252 10.6434 9.43076 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.79014 9.85586 9.15982 9.84557 5.33859 6.68983 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 6.44313 7.34635 6.78551 12.293 9.61656 7.34585 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 8.55572 9.01736 6.31232 17.2881 10.4469 9.18988 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 9.67527 7.61966 6.79597 13.6062 5.18107 8.89976 numMergedOcc 0
12 mol 124 unq 2 iso 0 dist 9.67527 5.73937 7.17224 13.6062 5.18107 9.18988 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 6.4413 8.90222 5.86949 12.1934 8.49619 9.23896 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 6.4413 8.90222 5.86949 13.4527 8.01366 6.02506 numMergedOcc 0
15 mol 148 unq 2 iso 0 dist 6.4413 11.3382 6.72591 13.4527 8.01366 9.8506 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 6.62609 8.93873 5.84971 12.4565 8.69407 9.46439 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 6.62609 8.93873 5.84971 13.6239 8.04136 6.07854 numMergedOcc 0
18 mol 150 unq 2 iso 0 dist 6.62609 11.5334 6.80192 13.6239 8.04136 9.91991 numMergedOcc 0
19 mol 182 unq 0 iso 0 dist 8.21538 9.53929 9.42196 15.9299 13.9118 8.45614 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 6.85288 5.00251 5.00402 9.88022 7.38256 9.813 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 6.85288 5.00251 5.00402 7.26637 5.37778 6.63442 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.80626 9.56395 4.66252 17.3017 10.6613 7.74312 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.80626 9.56395 4.66252 17.3017 10.6613 7.74312 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.80626 9.56395 4.66252 17.3017 10.6613 7.74312 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 7.26887 5.2943 9.20553 7.46806 4.17974 6.98961 numMergedOcc 0
