0 mol 0 unq 0 iso 0 dist 9.94618 5.98788 7.06591 8.65478 4.62434 3.59834 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 8.23852 6.10734 6.996 9.97548 7.5208 8.93987 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.89682 6.67704 10.4533 6.93709 10.2576 3.28726 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.58709 8.74005 5.3991 7.80117 5.46849 5.29574 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 9.57335 11.14 9.63616 7.25076 17.4558 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.10175 8.60653 7.93241 9.63616 7.25076 14.2852 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 8.73798 11.2684 10.256 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.2491 6.04768 7.43547 8.73798 4.05759 10.256 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 3.59451 9.40173 7.43547 5.24616 4.05759 10.256 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 8.12319 4.81304 3.88766 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 5.50364 5.43662 4.17212 8.44004 5.51548 5.92118 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.7301 5.43662 9.64263 8.44004 5.61122 5.92118 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 5.13722 6.65725 8.44389 9.511 9.62165 4.79971 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 5.13722 6.65725 8.44389 7.72354 9.27535 5.05856 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 5.19654 6.28889 7.03947 6.10013 3.41036 6.18551 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 7.68078 8.78652 11.256 8.44451 6.36429 5.88175 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 7.68078 9.01437 12.6561 8.44451 6.36429 9.89707 numMergedOcc 0
17 mol 210 unq 2 iso 0 dist 9.26518 8.78652 11.3555 8.44451 13.4995 5.88175 numMergedOcc 0
18 mol 210 unq 3 iso 0 dist 9.26518 9.01437 4.94588 8.44451 13.4995 9.89707 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 4.21935 9.25097 5.51771 7.99963 7.72768 12.3078 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 9.42193 9.1191 5.53685 7.38867 8.56684 3.99887 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.66784 8.80499 7.94923 4.20369 8.83524 5.30506 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 8.66784 8.80499 7.94923 6.4165 8.0863 3.58385 numMergedOcc 0
23 mol 260 unq 2 iso 0 dist 8.3298 8.80499 10.911 4.20369 9.7119 5.30506 numMergedOcc 0
24 mol 260 unq 3 iso 0 dist 8.3298 8.80499 10.911 6.4165 10.9484 3.58385 numMergedOcc 0
