0 mol 17 unq 0 iso 0 dist 8.48453 7.02884 4.03817 7.77965 12.5786 8.84341 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.80499 7.02884 5.12703 7.77965 11.32 8.84341 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 15.2626 9.61029 9.34599 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.61029 9.34599 10.797 15.2626 9.15677 9.53735 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 8.28463 7.24775 14.3929 11.3613 16.9919 5.80623 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 8.61163 5.80996 5.10859 6.00278 7.80805 5.66861 numMergedOcc 0
6 mol 53 unq 1 iso 0 dist 7.80805 5.66861 5.10859 6.00278 8.61163 5.80996 numMergedOcc 0
7 mol 65 unq 0 iso 0 dist 9.9997 9.68286 5.51708 11.3284 11.2196 8.58416 numMergedOcc 0
8 mol 65 unq 1 iso 0 dist 9.38611 8.58416 6.47381 11.3284 13.6464 9.68286 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 6.6606 8.14607 9.12845 8.27485 13.3191 7.38868 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 7.47827 7.74952 4.57085 10.8309 12.2237 8.99674 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 5.35519 9.26343 6.6157 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 9.94989 13.8622 7.37771 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 9.91446 6.6157 7.16919 5.35519 13.2537 8.22984 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 9.91446 6.6157 7.16919 5.0211 9.4618 7.37771 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 9.26343 6.6157 9.75737 5.35519 5.09688 8.22984 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 9.26343 6.6157 9.75737 5.0211 13.8622 7.37771 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 9.26057 9.47346 9.02568 6.84294 11.8144 5.98187 numMergedOcc 0
18 mol 123 unq 1 iso 0 dist 9.26057 9.47346 9.02568 8.81087 12.5647 7.42186 numMergedOcc 0
19 mol 153 unq 0 iso 0 dist 9.79001 6.36853 7.94182 8.52951 13.4511 7.20553 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 8.1504 9.58371 7.49843 7.26245 11.4842 7.13199 numMergedOcc 0
21 mol 196 unq 0 iso 0 dist 6.64506 5.21339 9.09988 8.14731 11.1688 6.34867 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 8.3035 8.07237 7.8472 6.40387 12.332 9.84034 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 8.3035 8.07237 7.8472 14.8373 16.1614 8.95218 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.93154 5.87056 6.00424 7.06479 15.1274 9.55881 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 9.18218 5.87056 9.76735 7.06479 16.1682 9.55881 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 6.18486 5.87056 9.32448 7.06479 12.9607 9.55881 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 11.7205 7.0247 8.70383 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 11.7205 5.76077 7.06589 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 9.58494 8.60481 9.96924 9.84223 16.8736 9.58671 numMergedOcc 0
