0 mol 11 unq 0 iso 0 dist 7.95811 6.50001 6.56765 3.77561 10.604 6.54358 4.46394 7.46578 6.859 6.86684 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 14.3129 13.6548 9.12845 14.288 10.157 6.81793 6.04762 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.44507 9.90986 4.76998 14.3129 10.3756 9.12845 14.288 6.56527 6.81793 6.04762 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 4.53545 11.5014 9.9787 10.7567 9.46945 5.43693 11.1395 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 9.25249 8.3505 17.4008 4.75138 13.8815 5.10496 11.9783 20.0794 9.84703 7.94178 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 9.25249 8.3505 17.4008 4.75138 13.8815 5.10496 7.43001 16.102 4.62494 4.4057 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 9.25249 8.3505 17.4008 10.4417 17.8091 5.92242 11.9783 20.0794 9.84703 15.7178 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 9.25249 8.3505 17.4008 10.4417 17.8091 5.92242 7.43001 16.102 4.62494 7.42446 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 9.25249 8.3505 17.4008 11.3628 19.9118 5.2571 11.9783 20.0794 9.84703 9.85543 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 9.25249 8.3505 17.4008 11.3628 19.9118 5.2571 7.43001 16.102 4.62494 9.67482 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 9.25249 8.3505 17.4008 13.9599 22.4773 8.7497 11.9783 20.0794 9.84703 7.28361 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 9.25249 8.3505 17.4008 13.9599 22.4773 8.7497 7.43001 16.102 4.62494 12.0974 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 5.94696 5.08983 3.92737 10.1978 12.5931 9.64383 12.5752 6.88901 8.46823 16.4267 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 5.94696 5.08983 3.92737 10.1978 12.5931 9.64383 9.51607 7.36769 9.25444 18.5442 numMergedOcc 0
14 mol 98 unq 10 iso 0 dist 5.94696 5.08983 3.92737 7.1452 4.47349 7.54889 12.5752 6.88901 8.46823 9.67482 numMergedOcc 0
15 mol 98 unq 11 iso 0 dist 5.94696 5.08983 3.92737 7.1452 4.47349 7.54889 9.51607 7.36769 9.25444 9.85543 numMergedOcc 0
16 mol 98 unq 12 iso 0 dist 5.94696 5.08983 3.92737 4.96747 5.65185 7.78931 12.5752 6.88901 8.46823 12.0974 numMergedOcc 0
17 mol 98 unq 13 iso 0 dist 5.94696 5.08983 3.92737 4.96747 5.65185 7.78931 9.51607 7.36769 9.25444 7.28361 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 6.09626 4.77996 5.08111 4.34071 9.28592 5.56994 6.43704 7.80873 6.11407 5.76986 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.34823 9.10803 14.1584 12.7349 18.5519 9.77575 6.49348 13.0074 6.18678 6.36778 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 9.14629 6.48993 5.95858 6.64464 11.6896 6.84752 4.43501 12.5323 8.86449 4.64019 numMergedOcc 0
21 mol 167 unq 1 iso 0 dist 9.14629 6.48993 5.95858 5.70785 12.8466 7.86563 4.43501 12.5323 8.86449 5.90938 numMergedOcc 0
22 mol 167 unq 2 iso 0 dist 9.14629 6.48993 5.95858 7.91498 9.67741 7.02548 4.43501 12.5323 8.86449 7.08726 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 8.90876 7.30338 4.02702 12.1014 7.44629 6.02086 4.10406 10.0169 9.42807 12.9045 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 4.41193 6.42735 5.96423 12.4352 7.54099 7.58375 8.08596 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 4.56913 12.2077 6.4611 6.70266 10.6742 9.65868 9.5468 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.11072 4.97796 13.3632 4.56913 12.2077 6.4611 5.15747 6.88827 8.60027 6.70925 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 6.83113 4.97796 5.39432 4.56913 10.5387 6.4611 6.70266 10.083 9.65868 9.5468 numMergedOcc 0
28 mol 274 unq 3 iso 0 dist 6.83113 4.97796 5.39432 4.56913 10.5387 6.4611 5.15747 9.16942 8.60027 6.70925 numMergedOcc 0
29 mol 274 unq 4 iso 0 dist 9.44134 4.97796 10.7442 4.56913 13.9123 6.4611 6.70266 7.75216 9.65868 9.5468 numMergedOcc 0
30 mol 274 unq 5 iso 0 dist 9.44134 4.97796 10.7442 4.56913 13.9123 6.4611 5.15747 12.0228 8.60027 6.70925 numMergedOcc 0
31 mol 274 unq 6 iso 0 dist 9.02071 7.15079 9.78219 4.37547 12.2077 9.30212 9.95931 10.6742 7.77765 9.5468 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 6.68863 5.72473 6.32259 8.04474 11.4575 7.20674 6.08322 12.3229 8.62162 8.83082 numMergedOcc 0
