0 mol 12 unq 0 iso 0 dist 4.85969 9.32718 6.28592 8.00085 6.91627 12.8281 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 9.12848 8.25905 4.49033 4.84965 8.2056 5.03976 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.90242 5.97065 5.88467 12.921 5.29367 10.2286 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.07029 5.97065 6.66387 12.921 8.07937 10.2286 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.07029 5.97065 6.66387 7.62792 6.42206 9.08976 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.07029 5.97065 6.66387 15.6943 9.66602 13.0219 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 5.20647 7.12852 9.73258 6.38282 7.43895 13.149 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 7.11556 9.9443 7.62048 7.16986 9.79412 6.18729 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 6.15185 9.9443 8.44086 7.16986 8.65822 6.18729 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.74947 9.55297 15.8344 6.24568 8.0302 13.0976 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.74947 9.55297 15.8344 7.74601 6.65051 14.7743 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.74947 9.55297 15.8344 10.8712 9.41519 15.8572 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.74947 7.447 5.25586 6.24568 8.0302 11.4034 numMergedOcc 0
13 mol 141 unq 4 iso 0 dist 6.74947 7.447 5.25586 7.74601 6.65051 11.3836 numMergedOcc 0
14 mol 141 unq 5 iso 0 dist 6.74947 7.447 5.25586 10.8712 9.41519 14.1748 numMergedOcc 0
15 mol 141 unq 6 iso 0 dist 6.74947 6.59782 10.1908 6.24568 8.0302 11.5956 numMergedOcc 0
16 mol 141 unq 7 iso 0 dist 6.74947 6.59782 10.1908 7.74601 6.65051 13.6978 numMergedOcc 0
17 mol 141 unq 8 iso 0 dist 6.74947 6.59782 10.1908 10.8712 9.41519 17.1805 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 4.17978 5.13604 3.90017 6.56866 9.86936 10.3239 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 7.55878 5.34745 5.3674 15.0896 9.49046 13.9254 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 7.55878 5.34745 5.3674 9.27865 7.24533 7.40764 numMergedOcc 0
21 mol 233 unq 2 iso 0 dist 4.91191 7.99897 5.3674 6.6982 9.49046 13.9254 numMergedOcc 0
22 mol 233 unq 3 iso 0 dist 4.91191 7.99897 5.3674 4.98124 7.24533 7.40764 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 9.48967 6.43838 15.6099 12.6185 9.61454 17.1586 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 9.48967 9.24964 4.28284 12.6185 9.61454 9.78353 numMergedOcc 0
25 mol 235 unq 2 iso 0 dist 6.43002 5.71896 4.28284 7.84608 9.61454 9.78353 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 5.41373 6.89216 5.98329 5.23356 8.71686 9.38322 numMergedOcc 0
27 mol 247 unq 0 iso 0 dist 6.35578 6.34304 4.32191 6.74468 9.79737 8.09208 numMergedOcc 0
28 mol 247 unq 1 iso 0 dist 6.35578 6.34304 4.32191 9.39272 8.34155 10.9649 numMergedOcc 0
29 mol 247 unq 2 iso 0 dist 6.35578 6.34304 4.32191 10.3476 8.30945 12.1964 numMergedOcc 0
