0 mol 7 unq 0 iso 0 dist 9.02869 4.91115 7.11539 13.3672 15.5773 9.97624 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.6051 7.81704 6.6691 10.5896 7.03296 4.76018 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.6051 11.1322 9.23807 10.5896 7.03296 7.13046 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 6.6051 13.5603 9.52857 19.6013 14.8356 6.96422 numMergedOcc 0
4 mol 12 unq 3 iso 0 dist 8.15864 12.0704 6.6691 14.2209 7.03296 4.76018 numMergedOcc 0
5 mol 12 unq 4 iso 0 dist 8.15864 12.4138 9.23807 14.2209 7.03296 7.13046 numMergedOcc 0
6 mol 12 unq 5 iso 0 dist 8.15864 4.40652 9.52857 10.6393 14.8356 6.96422 numMergedOcc 0
7 mol 15 unq 0 iso 0 dist 9.05123 11.9755 8.3794 12.9688 4.96682 6.50647 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.40644 11.0398 7.66163 12.2147 5.52962 7.34031 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 5.35252 11.0398 9.48288 12.2147 10.1477 7.34031 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 5.06188 11.0408 9.16212 12.1466 9.98618 7.281 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 8.52643 12.0216 5.94373 11.4891 4.97497 9.32552 numMergedOcc 0
12 mol 64 unq 1 iso 0 dist 5.41357 7.07433 5.94373 8.64746 4.97497 9.32552 numMergedOcc 0
13 mol 105 unq 0 iso 0 dist 6.1083 10.2375 6.09256 10.9808 5.03194 5.03173 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 6.11833 8.65154 8.40598 9.3724 6.10266 5.03173 numMergedOcc 0
15 mol 105 unq 2 iso 0 dist 7.12201 11.2367 8.40598 11.9149 6.10266 5.03173 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.38856 7.46548 6.69487 11.7748 6.66039 9.6096 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 8.16228 9.84841 7.54918 12.739 5.2323 7.47932 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.40718 14.1039 9.2933 18.3583 14.0045 5.97685 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.40718 14.1039 9.2933 19.9229 17.8726 8.9289 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 7.82201 11.045 5.82124 16.4431 10.1922 7.69296 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 5.86911 5.74127 5.82124 13.0613 10.1922 7.69296 numMergedOcc 0
22 mol 214 unq 2 iso 0 dist 7.89258 5.74127 8.31236 13.0613 11.0815 7.69296 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 8.86185 5.86546 8.87182 4.57548 4.81796 7.02079 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 8.86185 8.35939 5.95622 4.57548 4.81796 5.88802 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 7.89067 4.45246 5.92578 10.0527 4.82553 6.28538 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.0836 8.25534 9.34312 15.187 11.7017 9.71152 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 5.78262 7.10817 9.16554 6.59786 8.67797 8.68913 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 5.78262 4.30863 8.83491 7.96519 13.2599 8.85779 numMergedOcc 0
29 mol 273 unq 2 iso 0 dist 7.6489 4.30863 9.02711 7.96519 10.9195 8.85779 numMergedOcc 0
