0 mol 2 unq 0 iso 0 dist 8.5893 9.21959 5.88525 4.00237 5.74846 6.42073 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 5.88525 9.21959 8.5893 6.42073 5.74846 4.00237 numMergedOcc 0
2 mol 2 unq 1 iso 0 dist 8.29974 9.21959 8.73586 4.00237 4.93584 6.42073 numMergedOcc 0
3 mol 2 unq 1 iso 1 dist 8.73586 9.21959 8.29974 6.42073 4.93584 4.00237 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.11102 4.49719 8.48054 3.97946 6.28905 7.82134 numMergedOcc 0
5 mol 56 unq 0 iso 1 dist 8.48054 4.49719 7.11102 7.82134 6.28905 3.97946 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 8.18695 12.8822 7.82027 5.82911 5.2168 7.93947 numMergedOcc 0
7 mol 81 unq 0 iso 1 dist 7.82027 12.8822 8.18695 7.93947 5.2168 5.82911 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.43487 8.76937 9.97052 3.74516 8.46167 11.4966 numMergedOcc 0
9 mol 113 unq 0 iso 1 dist 9.97052 8.76937 9.43487 11.4966 8.46167 3.74516 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.43487 8.76937 9.97052 7.32784 6.13175 11.9142 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 9.97052 8.76937 9.43487 11.9142 6.13175 7.32784 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 9.43487 8.76937 9.97052 8.46561 4.34107 9.75283 numMergedOcc 0
13 mol 113 unq 2 iso 1 dist 9.97052 8.76937 9.43487 9.75283 4.34107 8.46561 numMergedOcc 0
14 mol 113 unq 3 iso 0 dist 9.43487 14.4973 7.3324 3.74516 8.46167 13.8072 numMergedOcc 0
15 mol 113 unq 3 iso 1 dist 7.3324 14.4973 9.43487 13.8072 8.46167 3.74516 numMergedOcc 0
16 mol 113 unq 4 iso 0 dist 9.43487 14.4973 7.3324 7.32784 6.13175 8.67805 numMergedOcc 0
17 mol 113 unq 4 iso 1 dist 7.3324 14.4973 9.43487 8.67805 6.13175 7.32784 numMergedOcc 0
18 mol 113 unq 5 iso 0 dist 9.43487 14.4973 7.3324 8.46561 4.34107 6.03962 numMergedOcc 0
19 mol 113 unq 5 iso 1 dist 7.3324 14.4973 9.43487 6.03962 4.34107 8.46561 numMergedOcc 0
20 mol 113 unq 3 iso 0 dist 9.97052 13.7958 7.3324 11.4966 8.46167 13.8072 numMergedOcc 0
21 mol 113 unq 3 iso 1 dist 7.3324 13.7958 9.97052 13.8072 8.46167 11.4966 numMergedOcc 0
22 mol 113 unq 4 iso 0 dist 9.97052 13.7958 7.3324 11.9142 6.13175 8.67805 numMergedOcc 0
23 mol 113 unq 4 iso 1 dist 7.3324 13.7958 9.97052 8.67805 6.13175 11.9142 numMergedOcc 0
24 mol 113 unq 5 iso 0 dist 9.97052 13.7958 7.3324 9.75283 4.34107 6.03962 numMergedOcc 0
25 mol 113 unq 5 iso 1 dist 7.3324 13.7958 9.97052 6.03962 4.34107 9.75283 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 6.18881 10.9947 9.35927 7.06015 4.70342 4.87504 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 9.35927 10.9947 6.18881 4.87504 4.70342 7.06015 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 6.18881 10.9947 9.35927 6 8.23543 15.394 numMergedOcc 0
29 mol 141 unq 1 iso 1 dist 9.35927 10.9947 6.18881 15.394 8.23543 6 numMergedOcc 0
30 mol 185 unq 0 iso 0 dist 6.83972 6.40496 7.6878 5.80135 8.22259 8.64775 numMergedOcc 0
31 mol 185 unq 0 iso 1 dist 7.6878 6.40496 6.83972 8.64775 8.22259 5.80135 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 9.28645 3.3846 8.9785 6.9328 9.57433 3.90226 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 8.9785 3.3846 9.28645 3.90226 9.57433 6.9328 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 7.01175 6.47501 7.50074 12.5701 8.53393 15.7607 numMergedOcc 0
35 mol 266 unq 0 iso 1 dist 7.50074 6.47501 7.01175 15.7607 8.53393 12.5701 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 7.01175 6.47501 7.50074 12.5076 7.24165 14.5235 numMergedOcc 0
37 mol 266 unq 1 iso 1 dist 7.50074 6.47501 7.01175 14.5235 7.24165 12.5076 numMergedOcc 0
38 mol 286 unq 0 iso 0 dist 9.96295 11.5223 8.95266 8.1401 6.87255 9.30848 numMergedOcc 0
39 mol 286 unq 0 iso 1 dist 8.95266 11.5223 9.96295 9.30848 6.87255 8.1401 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 6.08044 6.13067 8.8956 7.11108 8.70479 13.1778 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 8.8956 6.13067 6.08044 13.1778 8.70479 7.11108 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 6.08044 6.13067 8.8956 7.11108 8.70479 13.1778 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 8.8956 6.13067 6.08044 13.1778 8.70479 7.11108 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 6.08044 6.13067 8.8956 7.11108 8.70479 13.1778 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 8.8956 6.13067 6.08044 13.1778 8.70479 7.11108 numMergedOcc 0
