0 mol 30 unq 0 iso 0 dist 6.40398 10.1033 8.58568 7.69013 7.78893 4.10948 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.40398 10.1033 8.58568 11.7275 5.85146 8.812 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.72742 15.3125 6.93364 16.7414 9.31883 3.8237 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.72742 15.3125 6.93364 15.4411 9.475 6.07532 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 8.72742 15.3125 6.93364 15.4933 8.34011 4.47743 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 8.72742 15.3125 6.93364 9.39237 6.29842 11.418 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 8.72742 12.762 6.34821 16.7414 9.31883 4.97937 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 8.72742 12.762 6.34821 15.4411 9.475 3.68737 numMergedOcc 0
8 mol 34 unq 6 iso 0 dist 8.72742 12.762 6.34821 15.4933 8.34011 3.93021 numMergedOcc 0
9 mol 34 unq 7 iso 0 dist 8.72742 12.762 6.34821 9.39237 6.29842 11.1366 numMergedOcc 0
10 mol 74 unq 0 iso 0 dist 5.50438 6.21762 8.2657 4.49883 8.42173 8.31102 numMergedOcc 0
11 mol 74 unq 1 iso 0 dist 8.97568 11.4527 8.2657 6.34189 8.42173 8.31102 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.82052 5.84688 8.87194 3.93024 9.81554 8.85802 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 6.90574 13.9086 7.92876 11.2375 4.72339 6.10261 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 6.90574 13.9086 7.92876 10.673 6.48902 4.42903 numMergedOcc 0
15 mol 111 unq 2 iso 0 dist 6.90574 13.9086 7.92876 6.87591 7.21505 13.0195 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 4.83039 5.57852 8.1069 9.05929 8.71836 8.77123 numMergedOcc 0
17 mol 146 unq 1 iso 0 dist 4.83039 11.4615 8.68349 9.05929 8.71836 6.19717 numMergedOcc 0
18 mol 146 unq 2 iso 0 dist 5.38829 4.75435 8.1069 6.43443 8.71836 8.77123 numMergedOcc 0
19 mol 146 unq 3 iso 0 dist 5.38829 6.21982 8.68349 6.43443 8.71836 6.19717 numMergedOcc 0
20 mol 146 unq 4 iso 0 dist 7.498 10.1016 8.1069 10.5026 8.71836 8.77123 numMergedOcc 0
21 mol 146 unq 5 iso 0 dist 7.498 5.91626 8.68349 10.5026 8.71836 6.19717 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 8.74174 14.2403 8.21476 10.1781 7.69757 11.6682 numMergedOcc 0
23 mol 163 unq 1 iso 0 dist 8.74174 9.45801 7.66897 10.1781 7.69757 7.1982 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 5.33789 11.3414 8.15936 5.73959 5.20846 8.56728 numMergedOcc 0
25 mol 198 unq 1 iso 0 dist 5.33789 11.6406 8.16598 5.73959 5.20846 6.76174 numMergedOcc 0
26 mol 198 unq 2 iso 0 dist 7.27215 9.61596 8.15936 9.80167 5.20846 8.56728 numMergedOcc 0
27 mol 198 unq 3 iso 0 dist 7.27215 12.7168 8.16598 9.80167 5.20846 6.76174 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 9.88251 8.36623 5.42696 11.0081 5.19567 3.72865 numMergedOcc 0
29 mol 230 unq 0 iso 0 dist 6.47064 10.353 8.85215 7.72583 7.83105 4.47722 numMergedOcc 0
30 mol 230 unq 1 iso 0 dist 6.47064 10.353 8.85215 11.7343 5.63025 9.50055 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 9.26007 5.99898 8.70484 11.9339 7.5999 12.1963 numMergedOcc 0
32 mol 250 unq 1 iso 0 dist 9.26007 5.99898 8.70484 5.96199 9.50976 7.38134 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 8.62351 7.02444 5.2361 14.4633 9.76731 14.0295 numMergedOcc 0
34 mol 252 unq 1 iso 0 dist 8.62351 7.02444 5.2361 12.2716 8.38599 10.3309 numMergedOcc 0
35 mol 252 unq 2 iso 0 dist 8.62351 13.7396 5.57515 14.4633 9.76731 7.41325 numMergedOcc 0
36 mol 252 unq 3 iso 0 dist 8.62351 13.7396 5.57515 12.2716 8.38599 7.40276 numMergedOcc 0
37 mol 252 unq 4 iso 0 dist 8.62351 14.6186 8.28694 14.4633 9.76731 6.68865 numMergedOcc 0
38 mol 252 unq 5 iso 0 dist 8.62351 14.6186 8.28694 12.2716 8.38599 3.93498 numMergedOcc 0
39 mol 252 unq 6 iso 0 dist 6.94319 8.26489 5.2361 12.6745 9.76731 14.0295 numMergedOcc 0
40 mol 252 unq 7 iso 0 dist 6.94319 8.26489 5.2361 9.62252 8.38599 10.3309 numMergedOcc 0
41 mol 252 unq 8 iso 0 dist 6.94319 5.76518 5.57515 12.6745 9.76731 7.41325 numMergedOcc 0
42 mol 252 unq 9 iso 0 dist 6.94319 5.76518 5.57515 9.62252 8.38599 7.40276 numMergedOcc 0
43 mol 252 unq 10 iso 0 dist 6.94319 7.48536 8.28694 12.6745 9.76731 6.68865 numMergedOcc 0
44 mol 252 unq 11 iso 0 dist 6.94319 7.48536 8.28694 9.62252 8.38599 3.93498 numMergedOcc 0
