0 mol 10 unq 0 iso 0 dist 7.93277 12.2644 7.14537 12.883 7.92569 9.39486 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 7.92518 5.88717 5.27182 11.3685 5.11276 9.75289 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 7.92518 5.88717 5.27182 12.9788 5.09114 9.12545 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.21247 15.2071 8.34145 20.1066 12.7961 9.50614 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.23105 3.54989 7.53964 6.14494 3.83454 5.76961 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 6.14494 3.54989 5.76961 9.23105 3.83454 7.53964 numMergedOcc 0
6 mol 66 unq 0 iso 0 dist 8.65033 3.7783 9.6145 7.8807 3.70876 8.32859 numMergedOcc 0
7 mol 66 unq 1 iso 0 dist 7.8807 3.7783 8.32859 8.65033 3.70876 9.6145 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.26763 4.0291 8.64934 6.30814 6.48468 8.7515 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.30814 4.0291 8.7515 8.26763 6.48468 8.64934 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 4.73115 6.98491 5.78982 9.1813 4.87973 8.14226 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 8.9078 7.68025 8.40821 10.2704 5.28985 9.86925 numMergedOcc 0
12 mol 157 unq 1 iso 0 dist 6.07906 5.43167 8.40821 8.72717 5.28985 9.86925 numMergedOcc 0
13 mol 157 unq 2 iso 0 dist 8.72717 5.43167 9.86925 6.07906 5.28985 8.40821 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 8.43994 7.9981 9.95026 10.7861 3.96868 9.09594 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.99441 6.4817 8.14294 6.71817 3.58181 5.72 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 7.99441 6.4817 8.14294 8.41524 8.23638 6.84052 numMergedOcc 0
17 mol 222 unq 2 iso 0 dist 6.71817 6.4817 5.72 7.99441 3.58181 8.14294 numMergedOcc 0
18 mol 222 unq 3 iso 0 dist 6.71817 6.4817 5.72 8.41524 4.79329 6.84052 numMergedOcc 0
19 mol 222 unq 4 iso 0 dist 8.41524 6.4817 6.84052 7.99441 8.23638 8.14294 numMergedOcc 0
20 mol 222 unq 5 iso 0 dist 8.41524 6.4817 6.84052 6.71817 4.79329 5.72 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.69052 12.7959 6.46405 16.8642 8.90802 9.3502 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 8.69052 12.7959 6.46405 16.7172 9.25318 9.34821 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.76745 8.30723 6.09335 13.6353 5.30101 8.85955 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 9.34023 5.92282 8.85955 5.77762 5.30101 6.09335 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 5.77762 5.92282 6.09335 9.34023 5.30101 8.85955 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 7.93194 3.89748 6.03081 9.89352 5.73785 7.41433 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 7.93194 5.99438 5.1874 12.408 5.20556 8.85214 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 8.89434 13.1212 8.30024 12.6943 6.27924 8.20943 numMergedOcc 0
