0 mol 8 unq 0 iso 0 dist 9.95165 8.95363 5.00267 6.92865 5.02333 7.8922 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.4444 7.20987 5.00267 10.4545 11.0223 6.82379 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.4444 7.20987 5.00267 10.4255 6.80407 6.24978 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.4444 7.20987 5.00267 14.9792 8.44094 9.66439 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 8.4444 7.20987 5.00267 13.6972 6.32152 7.3915 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 8.75332 4.93362 7.69625 11.4946 8.19436 7.48847 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.75332 4.93362 7.69625 10.1953 10.3648 6.92532 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 8.75332 4.93362 7.69625 7.84393 6.49317 6.36455 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 4.61828 13.674 9.38831 10.4452 5.97304 6.72502 numMergedOcc 0
9 mol 55 unq 0 iso 0 dist 7.43154 8.45629 6.13181 10.0102 4.97078 9.78051 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 7.73993 5.02505 9.92553 7.4371 11.8348 8.67766 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 7.73993 5.02505 9.92553 10.4795 15.0307 8.0831 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.99731 4.64486 8.71286 9.56867 7.3094 5.74857 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.84146 16.2159 8.03035 13.052 4.99056 7.99857 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.84146 16.2159 8.03035 10.2589 3.78311 8.56342 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.84146 11.6573 7.6968 10.2589 3.78311 6.37542 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 6.93136 6.36527 5.73236 12.703 10.8441 8.41611 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.19078 6.79236 6.39031 13.1463 5.70788 8.35555 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.17868 7.59931 4.9941 14.4092 5.82636 7.73169 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 9.17868 17.1327 8.06913 14.4092 5.82636 5.38091 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 6.85463 8.07237 8.53374 10.8794 6.69868 6.20182 numMergedOcc 0
21 mol 163 unq 0 iso 0 dist 6.96572 12.2679 8.23605 10.8231 3.89889 8.5043 numMergedOcc 0
22 mol 163 unq 1 iso 0 dist 9.29539 4.2381 7.3546 10.4941 6.94217 8.38738 numMergedOcc 0
23 mol 163 unq 2 iso 0 dist 9.02124 11.7732 7.3546 6.56115 6.94217 8.38738 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 6.81707 15.0267 9.75627 13.1449 8.26419 9.11712 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 4.97005 10.0516 7.55358 15.3487 12.7155 7.20574 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 4.97005 10.0516 7.55358 11.0743 9.97575 6.85302 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 4.97005 5.57831 7.60991 11.0743 9.97575 9.98215 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 7.22 10.0516 8.87818 15.3487 11.2142 7.20574 numMergedOcc 0
29 mol 186 unq 4 iso 0 dist 7.22 10.0516 8.87818 11.0743 7.92653 6.85302 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 8.23919 9.05333 8.93185 12.1227 6.90702 6.29367 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 8.23919 9.05333 8.93185 13.0264 10.4526 5.76954 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 8.23919 9.05333 8.93185 12.5172 8.94041 9.20961 numMergedOcc 0
33 mol 218 unq 3 iso 0 dist 8.23919 6.45289 8.22792 10.9742 7.85475 8.0751 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.768 6.78745 6.53728 14.0856 11.5135 8.87609 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 9.33735 10.8608 9.56257 17.255 11.0628 8.03442 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 9.08444 3.94313 6.89118 10.1494 8.33772 6.39158 numMergedOcc 0
37 mol 235 unq 1 iso 0 dist 9.08444 3.94313 6.89118 7.93727 5.70265 7.75722 numMergedOcc 0
38 mol 240 unq 0 iso 0 dist 9.30056 8.30926 9.53915 6.83069 10.6074 9.47583 numMergedOcc 0
39 mol 240 unq 1 iso 0 dist 9.30056 8.30926 9.53915 9.30995 9.23135 8.44909 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 9.21767 5.62181 7.41079 11.4441 12.0308 9.13907 numMergedOcc 0
41 mol 294 unq 1 iso 0 dist 6.16375 10.0223 7.41079 17.2419 12.0308 9.13907 numMergedOcc 0
