0 mol 10 unq 0 iso 0 dist 6.50444 5.94361 6.18431 8.44864 3.92592 5.59965 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.50001 4.46394 6.859 11.7593 9.74251 7.98326 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.50001 4.46394 6.859 7.95811 6.56765 7.46578 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.54508 7.42417 5.78532 10.5799 6.86136 5.95834 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.54508 10.5851 8.49709 10.5799 6.86136 4.2121 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.77745 4.32173 5.20109 8.78181 3.904 6.25843 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.63803 10.5687 6.07276 16.9855 10.1622 6.93197 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 9.90986 14.288 6.81793 9.44507 4.76998 6.56527 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 9.22183 3.9882 9.96912 8.25567 6.64374 7.35861 numMergedOcc 0
9 mol 30 unq 0 iso 0 dist 5.14358 6.06435 5.22979 11.1672 9.01474 7.14464 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 5.61567 7.27795 6.00377 9.87649 5.0755 7.14464 numMergedOcc 0
11 mol 30 unq 2 iso 0 dist 8.46981 7.27795 9.35623 9.87649 5.39349 7.14464 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 8.57705 4.32712 8.02443 8.17655 3.81317 8.03296 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 8.57705 4.32712 8.02443 6.47416 4.08868 5.82754 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 8.57705 4.32712 8.02443 11.8429 6.06691 8.87742 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 8.57705 11.1935 9.09458 8.17655 3.81317 9.26979 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 8.57705 11.1935 9.09458 6.47416 4.08868 9.05679 numMergedOcc 0
17 mol 79 unq 5 iso 0 dist 8.57705 11.1935 9.09458 11.8429 6.06691 4.93468 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.54368 4.16536 8.98912 11.7427 11.9597 9.60622 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 9.54368 9.64683 8.93769 11.7427 11.9597 9.91054 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.33961 11.2155 9.25444 8.55509 3.92737 7.36769 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.33961 9.96465 8.46823 8.55509 3.92737 6.88901 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 8.3505 11.9783 9.84703 10.9995 3.94967 7.36769 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 8.3505 7.43001 4.62494 10.9995 3.94967 6.88901 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 9.29816 18.3829 9.25444 12.4401 3.92737 7.36769 numMergedOcc 0
25 mol 98 unq 5 iso 0 dist 9.29816 13.7832 8.46823 12.4401 3.92737 6.88901 numMergedOcc 0
26 mol 98 unq 6 iso 0 dist 5.08983 9.51607 9.25444 5.94696 3.92737 7.36769 numMergedOcc 0
27 mol 98 unq 7 iso 0 dist 5.08983 12.5752 8.46823 5.94696 3.92737 6.88901 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 4.77996 6.43704 6.11407 6.09626 5.08111 7.80873 numMergedOcc 0
29 mol 171 unq 0 iso 0 dist 6.51523 4.98945 7.47964 8.81813 11.4851 5.25109 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 6.51523 4.98945 7.47964 10.1083 12.9811 8.21618 numMergedOcc 0
31 mol 171 unq 2 iso 0 dist 6.76574 4.47323 5.74846 9.9872 11.4302 7.22518 numMergedOcc 0
32 mol 171 unq 3 iso 0 dist 6.76574 4.47323 5.74846 6.21194 4.88147 5.25109 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 8.27396 12.4352 7.58375 8.95598 4.67256 7.54099 numMergedOcc 0
34 mol 196 unq 0 iso 0 dist 8.76076 4.0207 8.48879 11.2801 5.40367 9.62455 numMergedOcc 0
35 mol 196 unq 1 iso 0 dist 4.36496 4.0207 5.89591 11.2801 11.2785 9.62455 numMergedOcc 0
36 mol 196 unq 2 iso 0 dist 7.34995 4.0207 9.72376 11.2801 17.7382 9.62455 numMergedOcc 0
37 mol 225 unq 0 iso 0 dist 9.27308 11.3186 9.89167 13.0845 8.31193 8.37739 numMergedOcc 0
38 mol 225 unq 1 iso 0 dist 9.27308 11.3186 9.89167 9.79196 6.8122 9.47237 numMergedOcc 0
39 mol 225 unq 2 iso 0 dist 9.49163 11.2979 9.82043 8.37379 5.8463 8.37739 numMergedOcc 0
40 mol 225 unq 3 iso 0 dist 9.49163 11.0488 8.22922 8.37379 5.8463 9.47237 numMergedOcc 0
41 mol 225 unq 4 iso 0 dist 9.99149 11.7808 9.82043 10.831 5.8463 8.37739 numMergedOcc 0
42 mol 225 unq 5 iso 0 dist 9.99149 10.2606 8.22922 10.831 5.8463 9.47237 numMergedOcc 0
43 mol 235 unq 0 iso 0 dist 5.39924 4.32578 7.39085 10.5829 14.2323 6.94789 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 4.97796 6.70266 9.65868 9.44134 10.7442 7.75216 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 4.97796 5.15747 8.60027 9.11072 13.3632 6.88827 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 4.97796 5.15747 8.60027 6.83113 5.39432 9.16942 numMergedOcc 0
47 mol 274 unq 3 iso 0 dist 7.15079 9.95931 7.77765 13.9335 13.9324 7.75216 numMergedOcc 0
