0 mol 26 unq 0 iso 0 dist 8.6112 9.27369 10.5687 10.1809 13.7373 7.3022 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 9.59131 5.31016 6.78868 5.14132 8.91418 6.73801 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.5915 4.38047 12.377 8.98505 12.6423 6.30987 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.81747 7.69638 5.87788 4.07863 8.17564 9.43355 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.81975 7.69638 5.46359 4.07863 7.19213 9.43355 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.53731 8.27794 5.21101 8.32999 7.50886 9.83981 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 8.53731 8.27794 5.21101 5.28095 7.25217 6.13559 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 8.53731 8.27794 5.21101 11.5542 10.853 6.51395 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.72434 8.4733 13.0801 6.02826 13.6274 7.26955 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.12336 6.42904 10.2948 5.80615 11.5756 6.51868 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.70977 8.01453 10.006 6.47962 14.2531 8.00449 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 6.39941 12.2539 7.60254 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 5.75545 5.66363 5.18154 7.58472 10.5618 5.95304 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.86645 5.97968 5.18154 4.24915 10.5618 5.95304 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 9.5523 9.37017 5.23385 14.7966 14.5198 9.33696 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.97651 8.13947 4.13357 4.04021 11.8788 9.82588 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 5.86679 8.55613 5.40441 10.4928 10.7436 7.12785 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 5.86679 8.55613 5.40441 4.20431 6.9453 6.66959 numMergedOcc 0
