0 mol 0 unq 0 iso 0 dist 9.5614 7.79534 9.46298 5.25456 7.15528 7.40865 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.04834 5.36911 6.51133 6.05535 4.7319 6.72833 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.04834 5.36911 6.51133 5.72175 11.6856 6.93532 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 8.17898 5.36911 5.30082 6.05535 11.0958 6.72833 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 8.17898 5.36911 5.30082 5.72175 5.05803 6.93532 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 5.87895 7.06532 6.38336 5.75653 7.36323 8.23446 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.57974 7.06532 6.51 5.75653 11.5038 8.23446 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.8058 8.04272 7.04075 10.0675 8.7531 9.90939 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 5.54343 9.23947 6.21578 5.59762 9.67592 9.97159 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 7.9572 5.63802 10.0069 7.63289 15.5792 9.49144 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 8.64208 5.63802 13.6485 7.63289 14.0024 9.49144 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.79954 6.66506 5.11416 12.8388 9.96396 9.24757 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.22376 9.04728 4.65335 3.85308 7.66905 7.54568 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 9.22376 9.04728 4.65335 9.77828 5.73196 9.39864 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 6.30103 7.31426 8.51055 5.60777 10.2618 5.37007 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 9.63302 7.00113 7.43922 5.759 12.7528 8.76789 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 9.63302 7.00113 7.43922 6.06241 8.62381 7.73435 numMergedOcc 0
17 mol 125 unq 2 iso 0 dist 9.63302 9.85979 11.0769 5.759 12.7528 9.08382 numMergedOcc 0
18 mol 125 unq 3 iso 0 dist 9.63302 9.85979 11.0769 6.06241 8.62381 9.3778 numMergedOcc 0
19 mol 125 unq 4 iso 0 dist 9.63302 9.85979 11.0769 13.5623 17.1992 7.47069 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 8.67611 13.05 6.64834 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 6.01711 6.4751 11.5561 9.28655 14.9792 5.93786 numMergedOcc 0
22 mol 171 unq 2 iso 0 dist 6.01711 6.4751 11.5561 10.4021 16.2078 8.24693 numMergedOcc 0
23 mol 171 unq 3 iso 0 dist 6.01711 6.4751 11.5561 11.8046 15.4802 7.36698 numMergedOcc 0
24 mol 171 unq 4 iso 0 dist 6.01711 5.75085 10.844 9.28655 14.9792 8.1344 numMergedOcc 0
25 mol 171 unq 5 iso 0 dist 6.01711 5.75085 10.844 10.4021 16.2078 6.71356 numMergedOcc 0
26 mol 174 unq 0 iso 0 dist 8.4931 5.07761 7.29873 12.6579 16.3922 9.87122 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 6.6776 8.79832 8.29015 7.42609 6.57069 9.77896 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 9.54287 8.51516 7.32294 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 6.27396 8.82861 11.2903 9.54287 13.8351 7.32294 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 10.6943 9.23153 6.59716 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 9.96011 7.13854 4.94799 6.81625 11.6077 7.1686 numMergedOcc 0
32 mol 271 unq 0 iso 0 dist 8.32351 5.75889 5.53238 9.63302 15.085 9.70714 numMergedOcc 0
