0 mol 0 unq 0 iso 0 dist 9.42137 14.5258 7.15528 11.6896 9.6994 7.19817 13.5016 5.47921 6.94181 10.651 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 14.4191 7.17969 4.33106 12.1406 4.96681 9.22151 6.22122 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 13.466 7.57578 4.33106 12.1406 4.96681 6.22122 9.22151 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.8286 6.20293 8.13395 11.0563 5.90113 9.17086 10.615 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.97635 13.2619 8.10861 10.7219 9.5589 16.3192 8.34361 5.65405 6.54183 14.4402 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 5.97635 13.2619 8.10861 6.76462 6.83299 14.2075 8.34361 5.65405 6.54183 10.5929 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 10.309 8.56639 5.64643 19.9172 13.5815 8.2147 13.0332 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 6.95595 12.7957 7.79912 5.80162 8.59017 10.4899 19.9172 13.5815 8.2147 18.603 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 12.8498 13.5384 6.56728 17.1838 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 12.8498 13.5384 6.56728 13.2962 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 4.93112 8.58044 7 11.6716 5.29855 7.51061 11.8872 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.73648 9.47324 7.34473 4.48038 9.97763 8.40993 11.6716 5.29855 7.51061 10.7963 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 5.87592 5.19652 8.97043 12.9647 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 8.37388 5.19652 8.97043 12.9647 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.27151 7.83136 7.22206 11.6509 5.21051 7.0318 11.0698 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 6.90827 10.4485 7.90328 4.45276 7.0603 9.3584 11.6509 5.21051 7.0318 10.5123 numMergedOcc 0
16 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 10.6616 7.83136 7.22206 13.1924 5.21051 7.0318 11.0698 numMergedOcc 0
17 mol 117 unq 3 iso 0 dist 8.90977 13.8755 7.90328 4.98254 7.0603 9.3584 13.1924 5.21051 7.0318 10.5123 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 4.29914 7.12972 5.55373 12.7607 12.3624 9.33945 14.2573 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 6.31125 5.6098 8.40312 5.59449 6.85062 10.7062 12.7607 12.3624 9.33945 17.4482 numMergedOcc 0
20 mol 131 unq 2 iso 0 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 13.7766 11.3502 8.99949 18.591 numMergedOcc 0
21 mol 131 unq 3 iso 0 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 13.7766 11.3502 8.99949 15.0798 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 4.6995 6.03031 7.38516 15.753 10.6362 6.15806 12.9169 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 5.87892 7.80463 13.8543 15.753 10.6362 6.15806 17.5925 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 10.7439 7.03423 5.57838 13.0602 5.65373 8.8557 5.00457 numMergedOcc 0
25 mol 229 unq 1 iso 0 dist 8.6537 10.7439 7.03423 8.65216 8.22528 5.57838 13.0602 5.65373 5.00457 8.8557 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 5.73834 7.52881 6.42289 6.48867 6.60405 7.26417 6.41167 5.13233 8.21585 10.7821 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 5.90645 4.62072 8.53687 10.4985 8.13497 10.582 5.16838 5.20592 5.75874 10.9903 numMergedOcc 0
