0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 11.3626 6.4487 7.51406 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 15.7496 6.4487 7.51406 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 7.68916 13.3091 7.34143 20.1728 13.9113 7.70026 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 7.47417 13.0115 7.34143 20.5151 13.9113 7.70026 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 11.7347 8.10861 7.34695 5.65405 6.54183 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 17.7046 11.9897 9.70415 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 10.6298 5.92158 8.96916 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.6298 5.92158 5.70279 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.26343 13.666 6.45675 14.516 5.92158 8.96916 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 14.516 5.92158 5.70279 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.41387 6.54872 9.84395 11.6976 5.34484 8.81172 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 13.5058 10.5726 8.88255 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 14.4208 6.65856 6.23966 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 14.6123 14.0828 8.90247 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 12.9113 5.114 8.90247 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.36642 9.43922 7.26832 13.4086 10.6362 6.15806 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 7.19917 9.55205 6.18308 16.4907 12.9212 8.71409 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 12.9092 5.1021 6.21273 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 5.2059 5.60111 5.47561 numMergedOcc 0
19 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 16.1172 10.613 8.91036 numMergedOcc 0
20 mol 231 unq 1 iso 0 dist 9.84965 14.0116 7.37839 13.6002 10.613 8.91036 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 11.7289 5.33697 6.06422 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.2521 12.8083 6.22714 15.5462 7.45873 4.87108 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 9.2521 12.8083 6.22714 14.3634 5.17954 6.54455 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 15.5462 7.45873 7.64276 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 18.515 9.76823 7.93609 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 12.5042 5.70285 8.9706 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 14.7497 9.27298 8.17205 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 7.7309 9.29412 6.05727 14.7497 7.8624 8.17205 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 8.70757 5.57044 5.18789 numMergedOcc 0
