0 mol 5 unq 0 iso 0 dist 8.62847 4.05341 7.56229 6.66949 3.14155 5.69239 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 5.84349 3.82411 4.64187 4.41045 3.60218 4.78873 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.887 5.29955 6.52283 7.68019 3.41186 4.75881 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.51893 10.4041 7.16844 10.8695 3.73834 4.46067 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.09973 3.66673 7.16844 6.58981 3.73834 4.46067 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.53833 11.1855 8.78414 12.3346 4.73277 8.14512 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 8.53833 11.1855 8.78414 9.56838 10.1907 9.13228 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 9.6401 6.63195 8.78414 5.89846 4.73277 8.14512 numMergedOcc 0
8 mol 63 unq 3 iso 0 dist 9.6401 6.63195 8.78414 14.978 10.1907 9.13228 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 8.8014 14.9646 8.71074 15.9569 7.18877 7.7485 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.25047 8.58059 5.45099 8.63792 3.35924 7.66068 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.25047 14.7497 8.44765 8.63792 3.35924 9.5043 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 8.25047 14.3572 9.06643 8.63792 3.35924 8.34132 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 6.24296 3.81285 4.29937 8.15861 3.65186 6.67137 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.24296 3.81285 4.29937 11.7875 12.2971 9.78707 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.24296 6.17121 5.37869 13.154 10.0372 7.07839 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 6.24296 6.17121 5.37869 8.15861 3.65186 7.04244 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 6.24296 6.17121 5.37869 13.0359 11.8779 9.09711 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 6.24296 6.17121 5.37869 13.6468 11.7094 7.91193 numMergedOcc 0
19 mol 85 unq 6 iso 0 dist 6.24296 6.17121 5.37869 11.7875 12.2971 9.63449 numMergedOcc 0
20 mol 85 unq 7 iso 0 dist 6.83218 3.81285 3.65628 8.15861 7.00044 6.67137 numMergedOcc 0
21 mol 85 unq 8 iso 0 dist 6.83218 3.81285 3.65628 11.7875 8.64367 9.78707 numMergedOcc 0
22 mol 85 unq 9 iso 0 dist 6.83218 6.17121 4.05415 13.154 8.78995 7.07839 numMergedOcc 0
23 mol 85 unq 10 iso 0 dist 6.83218 6.17121 4.05415 8.15861 7.00044 7.04244 numMergedOcc 0
24 mol 85 unq 11 iso 0 dist 6.83218 6.17121 4.05415 13.0359 12.4835 9.09711 numMergedOcc 0
25 mol 85 unq 12 iso 0 dist 6.83218 6.17121 4.05415 13.6468 10.7591 7.91193 numMergedOcc 0
26 mol 85 unq 13 iso 0 dist 6.83218 6.17121 4.05415 11.7875 8.64367 9.63449 numMergedOcc 0
27 mol 93 unq 0 iso 0 dist 9.43355 6.46195 9.40687 8.61597 13.6138 9.66837 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 5.64141 6.46195 8.84576 8.61597 12.3588 9.66837 numMergedOcc 0
29 mol 93 unq 2 iso 0 dist 5.46186 6.46195 7.39732 8.61597 4.98621 9.66837 numMergedOcc 0
30 mol 107 unq 0 iso 0 dist 8.50257 3.51814 7.91251 11.103 5.88785 8.88124 numMergedOcc 0
31 mol 107 unq 1 iso 0 dist 8.50257 13.9569 9.09262 11.103 5.88785 8.19484 numMergedOcc 0
32 mol 116 unq 0 iso 0 dist 5.93365 4.26914 7.54274 6.98134 3.43966 6.55227 numMergedOcc 0
33 mol 116 unq 1 iso 0 dist 6.99944 9.53399 7.54274 8.55413 3.43966 6.55227 numMergedOcc 0
34 mol 123 unq 0 iso 0 dist 6.49766 3.61945 4.14492 8.09682 8.42496 5.56127 numMergedOcc 0
35 mol 123 unq 1 iso 0 dist 6.49766 3.61945 4.14492 8.35926 10.3919 8.03692 numMergedOcc 0
36 mol 123 unq 2 iso 0 dist 6.49766 3.61945 4.14492 7.41568 3.3389 5.36214 numMergedOcc 0
37 mol 147 unq 0 iso 0 dist 8.10157 3.75216 5.12272 5.39386 3.7729 3.82583 numMergedOcc 0
38 mol 147 unq 1 iso 0 dist 8.10157 3.75216 5.12272 5.79819 6.34165 5.19116 numMergedOcc 0
39 mol 147 unq 2 iso 0 dist 8.10157 6.64419 8.7121 5.39386 3.7729 8.25768 numMergedOcc 0
40 mol 147 unq 3 iso 0 dist 8.10157 6.64419 8.7121 5.79819 6.34165 8.71702 numMergedOcc 0
41 mol 169 unq 0 iso 0 dist 8.66311 3.86496 8.93091 9.75644 14.673 6.96715 numMergedOcc 0
42 mol 243 unq 0 iso 0 dist 8.8602 12.159 9.53137 13.6225 7.66826 4.55853 numMergedOcc 0
43 mol 243 unq 1 iso 0 dist 7.13476 5.38511 9.53137 7.39884 7.66826 4.55853 numMergedOcc 0
44 mol 243 unq 2 iso 0 dist 9.49016 18.1416 9.53137 17.1281 7.66826 4.55853 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 7.51385 6.00938 6.22311 11.2189 5.96434 6.24487 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 7.51385 6.00938 6.22311 11.2189 5.96434 6.24487 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 7.51385 6.00938 6.22311 11.2189 5.96434 6.24487 numMergedOcc 0
