0 mol 5 unq 0 iso 0 dist 6.66949 4.05341 5.69239 8.62847 3.14155 7.56229 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.7649 10.5243 8.25818 17.4574 11.1587 7.7447 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.5268 10.2093 8.25818 15.8905 11.1587 7.7447 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.10496 6.55665 6.87277 10.282 3.30447 8.67216 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 4.41045 3.82411 4.78873 5.84349 3.60218 4.64187 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 7.68019 5.29955 4.75881 6.887 3.41186 6.52283 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 7.49792 3.70802 4.46067 10.623 3.73834 7.16844 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 6.58981 3.66673 4.46067 8.09973 3.73834 7.16844 numMergedOcc 0
8 mol 62 unq 2 iso 0 dist 6.51901 4.29679 4.46067 11.3849 5.98227 8.93807 numMergedOcc 0
9 mol 62 unq 3 iso 0 dist 9.1926 8.07308 4.46067 10.3746 5.98227 8.93807 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 8.06894 11.2724 8.14512 12.2226 4.73277 8.78414 numMergedOcc 0
11 mol 63 unq 1 iso 0 dist 5.89846 6.63195 8.14512 9.6401 4.73277 8.78414 numMergedOcc 0
12 mol 63 unq 2 iso 0 dist 9.56838 11.1855 9.13228 8.53833 10.1907 8.78414 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.63792 8.58059 7.66068 8.25047 3.35924 5.45099 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 8.63792 14.7497 9.5043 8.25047 3.35924 8.44765 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 8.63792 14.3572 8.34132 8.25047 3.35924 9.06643 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 6.24296 3.65186 4.29937 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 8.15861 3.81285 6.67137 6.83218 7.00044 3.65628 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 8.15861 3.81285 6.67137 10.9154 16.1804 9.77774 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 6.24296 3.65186 5.37869 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 8.15861 6.17121 7.04244 6.83218 7.00044 4.05415 numMergedOcc 0
21 mol 85 unq 5 iso 0 dist 8.15861 6.17121 7.04244 10.9154 16.1804 9.97944 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 8.61597 6.46195 9.66837 9.43355 13.6138 9.40687 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 8.61597 6.46195 9.66837 5.64141 12.3588 8.84576 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 8.61597 6.46195 9.66837 5.46186 4.98621 7.39732 numMergedOcc 0
25 mol 116 unq 0 iso 0 dist 6.98134 4.26914 6.55227 5.93365 3.43966 7.54274 numMergedOcc 0
26 mol 116 unq 1 iso 0 dist 8.55413 9.53399 6.55227 6.99944 3.43966 7.54274 numMergedOcc 0
27 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 13.1249 10.3919 4.14492 numMergedOcc 0
28 mol 123 unq 1 iso 0 dist 8.09682 3.61945 5.56127 6.49766 8.42496 4.14492 numMergedOcc 0
29 mol 123 unq 2 iso 0 dist 8.35926 3.61945 8.03692 6.49766 10.3919 4.14492 numMergedOcc 0
30 mol 123 unq 3 iso 0 dist 7.41568 3.61945 5.36214 6.49766 3.3389 4.14492 numMergedOcc 0
31 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 10.1742 5.19008 7.7464 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 5.39386 3.75216 3.82583 8.10157 3.7729 5.12272 numMergedOcc 0
33 mol 147 unq 2 iso 0 dist 5.39386 6.64419 8.25768 8.10157 3.7729 8.7121 numMergedOcc 0
34 mol 147 unq 3 iso 0 dist 5.79819 3.75216 5.19116 10.1742 5.27556 7.7464 numMergedOcc 0
35 mol 147 unq 4 iso 0 dist 5.79819 3.75216 5.19116 8.10157 6.34165 5.12272 numMergedOcc 0
36 mol 147 unq 5 iso 0 dist 5.79819 6.64419 8.71702 8.10157 6.34165 8.7121 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 7.15344 6.82158 8.32259 10.0267 4.7839 7.33774 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 7.15344 11.8793 8.54737 10.0267 4.7839 6.39122 numMergedOcc 0
39 mol 204 unq 2 iso 0 dist 9.98617 6.82158 9.93489 10.0267 4.05102 7.33774 numMergedOcc 0
40 mol 204 unq 3 iso 0 dist 9.98617 11.8793 7.64057 10.0267 4.05102 6.39122 numMergedOcc 0
41 mol 204 unq 4 iso 0 dist 8.09863 6.29741 8.54737 9.93698 3.68217 8.23717 numMergedOcc 0
42 mol 204 unq 5 iso 0 dist 8.09863 3.88406 7.64057 9.93698 3.68217 7.98864 numMergedOcc 0
43 mol 243 unq 0 iso 0 dist 7.39884 5.38511 4.55853 7.13476 7.66826 9.53137 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 7.43884 11.4637 7.80711 12.6402 5.95721 7.72861 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 7.43884 12.3524 9.9965 12.6402 5.95721 8.20376 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 8.15636 11.4888 6.24487 13.5769 5.55422 8.32982 numMergedOcc 0
47 mol 287 unq 1 iso 0 dist 9.14217 9.84883 4.68668 12.4804 3.66473 4.93516 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 8.15636 11.4888 6.24487 13.5769 5.55422 8.32982 numMergedOcc 0
49 mol 288 unq 1 iso 0 dist 9.14217 9.84883 4.68668 12.4804 3.66473 4.93516 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 8.15636 11.4888 6.24487 13.5769 5.55422 8.32982 numMergedOcc 0
51 mol 289 unq 1 iso 0 dist 9.14217 9.84883 4.68668 12.4804 3.66473 4.93516 numMergedOcc 0
