0 mol 0 unq 0 iso 0 dist 9.42137 14.5258 7.15528 13.5016 5.47921 6.94181 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.13983 5.63648 6.38364 10.9956 5.49061 6.89209 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.45858 4.05028 6.38364 9.63512 5.49061 6.89209 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 12.1406 4.96681 9.22151 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 12.1406 4.96681 6.22122 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 9.87281 6.17631 7.31767 9.81087 10.747 6.23095 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 7.63928 6.17631 6.03987 9.81087 11.5983 6.23095 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 15.7779 6.4487 7.51406 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.0563 5.90113 9.17086 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 5.97635 13.2619 8.10861 8.34361 5.65405 6.54183 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 9.00229 10.1484 8.95999 14.9219 8.50779 7.98444 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 11.5166 5.46309 9.70415 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 11.5166 11.9897 9.70415 numMergedOcc 0
13 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 14.542 11.9897 9.70415 numMergedOcc 0
14 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 19.9172 13.5815 8.2147 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 12.8498 13.5384 6.56728 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 7.75811 4.8042 5.83409 7.68053 6.1985 8.44515 numMergedOcc 0
17 mol 90 unq 1 iso 0 dist 7.75811 4.8042 5.83409 10.0403 6.45992 9.41382 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 11.6716 5.29855 7.51061 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 4.98864 6.59772 6.11741 5.87592 5.19652 8.97043 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 7.95871 4.86477 6.11741 8.37388 5.19652 8.97043 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 11.6509 5.21051 7.0318 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 13.1924 5.21051 7.0318 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 15.5348 10.5726 8.88255 numMergedOcc 0
24 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 10.6754 5.50061 6.24392 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 12.7607 12.3624 9.33945 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 13.7766 11.3502 8.99949 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 15.753 10.6362 6.15806 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 10.7258 12.9212 8.71409 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 9.27422 5.60111 5.47561 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 15.0689 6.38287 9.60159 numMergedOcc 0
31 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 13.0602 5.65373 8.8557 numMergedOcc 0
32 mol 229 unq 1 iso 0 dist 8.6537 10.7439 7.03423 13.0602 5.65373 5.00457 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 11.6361 12.5761 9.95045 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 9.18345 5.33697 6.06422 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 10.9473 4.77446 6.83046 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 5.73834 7.52881 6.42289 6.41167 5.13233 8.21585 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 5.90645 4.62072 8.53687 5.16838 5.20592 5.75874 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 11.4709 5.43184 8.57619 numMergedOcc 0
39 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 10.8849 10.9571 6.82526 numMergedOcc 0
40 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 10.8849 10.3274 6.82526 numMergedOcc 0
