0 mol 28 unq 0 iso 0 dist 8.42022 6.14086 12.8342 6.82151 13.9106 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.42022 6.31487 14.4187 6.82151 13.9106 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.42022 7.07851 15.1831 6.82151 13.9106 4.82199 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.47584 6.14086 10.3431 6.82151 9.58941 8.53424 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.47584 6.31487 12.3064 6.82151 9.58941 7.08766 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.47584 7.07851 11.3495 6.82151 9.58941 4.82199 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 5.64624 6.76158 10.3431 4.3475 9.58941 8.53424 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 5.64624 7.423 12.3064 4.3475 9.58941 7.08766 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 5.64624 5.89257 11.3495 4.3475 9.58941 4.82199 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 9.82468 7.03969 11.4001 4.54851 12.258 8.88512 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.69318 6.0827 7.49995 5.4275 6.42645 4.46067 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 9.93938 5.56913 9.06246 11.3762 16.2427 9.02015 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 8.40076 7.04627 10.1291 5.02162 12.6961 8.78115 numMergedOcc 0
13 mol 123 unq 1 iso 0 dist 8.40076 7.04627 10.1291 8.90549 10.1093 8.03692 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.55999 5.24882 7.81193 6.03327 10.9188 4.3855 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 5.45739 8.47439 10.7396 4.18108 6.24232 5.28353 numMergedOcc 0
16 mol 168 unq 1 iso 0 dist 6.75751 8.47439 9.33959 4.18108 8.1953 5.28353 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 4.77856 6.18165 9.52806 6.5732 9.03941 5.10589 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 4.77856 6.18165 9.52806 4.14139 8.74324 4.63336 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 4.77856 6.18165 9.52806 7.73206 12.4365 6.10715 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 6.3518 8.89556 14.1247 6.94233 13.0759 8.65645 numMergedOcc 0
21 mol 176 unq 1 iso 0 dist 6.3518 8.89556 14.1247 3.97245 9.09053 6.85902 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 9.11905 7.13397 15.3292 4.38276 11.2262 8.62655 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 9.11905 5.33278 8.1257 8.90225 10.8733 6.48099 numMergedOcc 0
24 mol 260 unq 2 iso 0 dist 7.56352 7.13397 11.5791 4.38276 11.154 8.62655 numMergedOcc 0
25 mol 260 unq 3 iso 0 dist 7.56352 5.33278 8.99868 8.90225 15.1035 6.48099 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 6.36106 5.06373 3.39008 4.16786 4.69611 5.6964 numMergedOcc 0
