0 mol 4 unq 0 iso 0 dist 9.4539 5.30385 7.87155 5.60295 11.0297 6.42755 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.47964 5.30385 8.55937 5.60295 11.3655 6.42755 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 9.50144 5.30385 11.5141 5.60295 12.8005 6.42755 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 8.03458 9.03951 11.04 6.61479 9.88507 5.59965 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 8.2106 9.03951 9.13852 6.61479 11.5496 5.59965 numMergedOcc 0
5 mol 12 unq 0 iso 0 dist 8.15864 8.18296 10.1802 4.40652 9.52857 5.76024 numMergedOcc 0
6 mol 12 unq 1 iso 0 dist 8.15864 7.99569 11.8349 4.40652 9.52857 7.92714 numMergedOcc 0
7 mol 17 unq 0 iso 0 dist 9.5937 9.78918 14.6638 10.8117 19.0134 7.25951 numMergedOcc 0
8 mol 17 unq 1 iso 0 dist 9.5937 6.80314 12.7368 10.8117 19.0134 7.92012 numMergedOcc 0
9 mol 17 unq 2 iso 0 dist 7.34681 9.78918 16.9932 10.8117 17.2477 7.25951 numMergedOcc 0
10 mol 17 unq 3 iso 0 dist 7.34681 6.80314 13.5569 10.8117 17.2477 7.92012 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.53081 6.42242 5.84184 13.5334 11.8072 8.19993 numMergedOcc 0
12 mol 53 unq 0 iso 0 dist 6.70095 8.5021 6.52918 8.14661 12.4114 8.81982 numMergedOcc 0
13 mol 53 unq 1 iso 0 dist 6.70095 8.5021 6.52918 8.80086 12.3039 8.94227 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 12.6525 13.1749 8.87464 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 8.91354 6.93893 5.06999 12.671 7.12701 8.66165 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 9.52754 6.56978 5.02461 12.6896 13.3798 9.5057 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 9.52754 6.56978 5.02461 9.19586 10.4906 5.75014 numMergedOcc 0
18 mol 116 unq 0 iso 0 dist 6.53824 9.2638 10.5909 10.4136 8.3971 8.38606 numMergedOcc 0
19 mol 116 unq 1 iso 0 dist 6.61973 9.2638 6.2875 10.4136 6.74026 8.38606 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 5.9261 6.52844 9.73158 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 9.52061 6.48695 7.95267 5.9261 6.52844 7.59327 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.57031 8.36723 6.65679 5.65957 10.6846 8.42748 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 6.19457 6.4751 9.13204 5.72737 11.374 7.22518 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 6.19457 6.4751 9.13204 6.4423 10.4881 5.25109 numMergedOcc 0
25 mol 171 unq 2 iso 0 dist 6.19457 5.75085 6.62952 5.72737 11.374 7.58499 numMergedOcc 0
26 mol 171 unq 3 iso 0 dist 6.19457 5.75085 6.62952 6.4423 10.4881 8.21618 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 6.77822 9.25162 9.4234 15.3266 17.8118 9.8664 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 7.43391 9.97458 16.3 12.5433 19.0481 7.95359 numMergedOcc 0
29 mol 244 unq 1 iso 0 dist 7.43391 9.97458 16.3 14.3743 21.2283 6.22122 numMergedOcc 0
30 mol 244 unq 2 iso 0 dist 7.79787 9.97458 4.89551 12.5433 11.4714 7.95359 numMergedOcc 0
31 mol 244 unq 3 iso 0 dist 7.79787 9.97458 4.89551 14.3743 10.2667 6.22122 numMergedOcc 0
32 mol 271 unq 0 iso 0 dist 9.50884 7.03848 11.0964 9.47905 14.4126 5.92274 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 7.74965 4.87349 9.47092 6.50962 13.9565 7.34931 numMergedOcc 0
