0 mol 24 unq 0 iso 0 dist 5.65754 10.0962 8.25818 7.84552 7.19357 7.18124 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.65754 10.0962 8.25818 17.2313 13.7061 8.10168 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.7871 11.1346 8.53424 18.2821 11.9912 8.96154 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 7.7871 10.8275 7.08766 18.2821 11.9912 8.90935 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 7.88072 4.83638 9.63882 7.75449 3.30907 9.13786 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 7.88072 4.83638 9.63882 10.5022 9.23676 8.28218 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 7.88072 5.2103 6.87277 7.75449 3.30907 8.56807 numMergedOcc 0
7 mol 33 unq 0 iso 0 dist 7.89306 5.71433 4.78873 10.7752 6.33349 8.45145 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 6.89855 5.04771 8.14512 9.25631 5.98039 7.73753 numMergedOcc 0
9 mol 63 unq 1 iso 0 dist 7.85738 9.28052 8.14512 7.87739 5.98039 7.73753 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 5.26566 5.08181 7.7485 9.00217 5.29172 8.32093 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.39265 3.74336 9.2057 7.65495 5.54567 9.15754 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 8.11813 15.1151 9.34782 19.5745 12.2767 7.24101 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 7.78392 13.4414 9.54529 19.1851 12.4019 9.57433 numMergedOcc 0
14 mol 230 unq 0 iso 0 dist 8.01593 4.45276 9.47092 7.5725 3.28958 8.89873 numMergedOcc 0
15 mol 230 unq 1 iso 0 dist 8.01593 4.45276 9.47092 10.4583 9.06529 8.46558 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 6.33954 8.8061 7.83831 11.7715 7.15895 8.07857 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 9.84028 11.4342 7.85841 12.7212 5.14008 5.44351 numMergedOcc 0
18 mol 254 unq 1 iso 0 dist 9.84028 11.2466 9.20109 12.7212 5.14008 6.34051 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 6.48382 7.52317 8.25286 9.27812 10.0357 8.53393 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 6.48382 9.52953 9.9965 9.27812 10.0357 7.24165 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.17436 9.08224 4.68668 8.71214 7.67746 9.97939 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.17436 9.08224 4.68668 8.71214 7.67746 9.97939 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.17436 9.08224 4.68668 8.71214 7.67746 9.97939 numMergedOcc 0
