0 mol 5 unq 0 iso 0 dist 8.62847 6.66949 3.14155 4.05341 7.56229 5.69239 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.40189 6.5268 5.75365 10.2093 13.4865 8.25818 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.22014 6.5268 3.67206 10.2093 10.3921 8.25818 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.66089 4.41045 7.49744 3.82411 11.3783 4.78873 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 6.9181 4.41045 3.22951 3.82411 8.00427 4.78873 numMergedOcc 0
5 mol 33 unq 2 iso 0 dist 5.84349 4.41045 3.60218 3.82411 4.64187 4.78873 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 6.887 7.68019 3.41186 5.29955 6.52283 4.75881 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.95208 9.07283 4.48872 5.7037 11.8252 9.05737 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 8.09973 6.58981 3.73834 3.66673 7.16844 4.46067 numMergedOcc 0
9 mol 63 unq 0 iso 0 dist 8.53833 9.56838 10.1907 11.1855 8.78414 9.13228 numMergedOcc 0
10 mol 63 unq 1 iso 0 dist 9.6401 5.89846 4.73277 6.63195 8.78414 8.14512 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.25047 8.63792 3.35924 8.58059 5.45099 7.66068 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.25047 8.63792 3.35924 14.7497 8.44765 9.5043 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 8.25047 8.63792 3.35924 14.3572 9.06643 8.34132 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.24296 8.15861 3.65186 3.81285 4.29937 6.67137 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 6.24296 8.15861 3.65186 6.17121 5.37869 7.04244 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 6.24296 9.27814 14.6387 11.9486 16.4531 4.18248 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 6.83218 8.15861 7.00044 3.81285 3.65628 6.67137 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 6.83218 8.15861 7.00044 6.17121 4.05415 7.04244 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 6.83218 9.27814 15.2529 11.9486 16.7975 4.18248 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 9.43355 8.61597 13.6138 6.46195 9.40687 9.66837 numMergedOcc 0
21 mol 93 unq 1 iso 0 dist 5.64141 8.61597 12.3588 6.46195 8.84576 9.66837 numMergedOcc 0
22 mol 93 unq 2 iso 0 dist 5.46186 8.61597 4.98621 6.46195 7.39732 9.66837 numMergedOcc 0
23 mol 116 unq 0 iso 0 dist 5.93365 6.98134 3.43966 4.26914 7.54274 6.55227 numMergedOcc 0
24 mol 116 unq 1 iso 0 dist 6.99944 8.55413 3.43966 9.53399 7.54274 6.55227 numMergedOcc 0
25 mol 123 unq 0 iso 0 dist 6.49766 8.09682 8.42496 3.61945 4.14492 5.56127 numMergedOcc 0
26 mol 123 unq 1 iso 0 dist 6.49766 8.35926 10.3919 5.85997 10.3616 8.78115 numMergedOcc 0
27 mol 123 unq 2 iso 0 dist 6.49766 8.35926 10.3919 3.61945 4.14492 8.03692 numMergedOcc 0
28 mol 123 unq 3 iso 0 dist 6.49766 7.41568 3.3389 3.61945 4.14492 5.36214 numMergedOcc 0
29 mol 147 unq 0 iso 0 dist 8.10157 5.39386 3.7729 3.75216 5.12272 3.82583 numMergedOcc 0
30 mol 147 unq 1 iso 0 dist 8.10157 5.39386 3.7729 6.64419 8.7121 8.25768 numMergedOcc 0
31 mol 147 unq 2 iso 0 dist 8.10157 5.79819 6.34165 3.75216 5.12272 5.19116 numMergedOcc 0
32 mol 147 unq 3 iso 0 dist 8.10157 5.79819 6.34165 6.64419 8.7121 8.71702 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 7.13476 7.39884 7.66826 5.38511 9.53137 4.55853 numMergedOcc 0
34 mol 260 unq 0 iso 0 dist 7.1699 9.11501 9.98348 9.99682 14.2957 7.04263 numMergedOcc 0
35 mol 260 unq 1 iso 0 dist 7.1699 9.11501 9.98348 7.52009 11.2133 6.48099 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 8.106 7.17276 3.12129 6.30031 10.0396 7.31132 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 9.98518 8.15636 16.9188 11.4888 21.2166 6.24487 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 9.98518 8.15636 16.9188 11.4888 21.2166 6.24487 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 9.98518 8.15636 16.9188 11.4888 21.2166 6.24487 numMergedOcc 0
