0 mol 5 unq 0 iso 0 dist 9.68326 9.08586 7.44029 5.74912 7.95876 4.07788 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.18111 8.83912 7.44029 8.39309 7.95876 4.07788 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.59847 7.4835 6.50001 5.51815 6.54358 3.77561 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.48944 10.7171 6.36381 14.0586 7.27472 5.80023 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.23015 4.93826 5.77745 10.7149 7.05196 5.8503 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 5.96246 4.84407 9.70292 4.16047 8.57395 5.69671 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.91797 6.80592 5.33961 15.3018 9.64383 11.1668 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.91797 6.80592 5.33961 9.41666 7.54889 12.7318 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.91797 6.80592 5.33961 9.57791 7.78931 12.3835 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 5.91797 13.4907 9.29816 15.3018 9.64383 5.70962 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 5.91797 13.4907 9.29816 9.41666 7.54889 14.676 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 5.91797 13.4907 9.29816 9.57791 7.78931 16.3389 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 5.91797 9.55396 5.08983 15.3018 9.64383 10.1978 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 5.91797 9.55396 5.08983 9.41666 7.54889 7.1452 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 5.91797 9.55396 5.08983 9.57791 7.78931 4.96747 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 6.37954 10.4899 8.3505 5.90686 5.10496 4.75138 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 6.37954 10.4899 8.3505 11.2946 5.92242 10.4417 numMergedOcc 0
17 mol 98 unq 11 iso 0 dist 6.37954 10.4899 8.3505 9.41666 5.2571 11.3628 numMergedOcc 0
18 mol 98 unq 12 iso 0 dist 6.37954 10.4899 8.3505 9.57791 8.7497 13.9599 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 6.62354 6.24804 9.46621 4.91393 9.89083 10.404 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 6.62354 6.24804 9.46621 5.68669 8.52024 10.6893 numMergedOcc 0
21 mol 109 unq 2 iso 0 dist 6.62354 9.97562 9.94704 4.91393 9.89083 14.8479 numMergedOcc 0
22 mol 109 unq 3 iso 0 dist 6.62354 9.97562 9.94704 5.68669 8.52024 11.5656 numMergedOcc 0
23 mol 109 unq 4 iso 0 dist 8.00085 14.8896 9.46621 12.0697 9.89083 10.404 numMergedOcc 0
24 mol 109 unq 5 iso 0 dist 8.00085 14.8896 9.46621 6.80429 8.52024 10.6893 numMergedOcc 0
25 mol 109 unq 6 iso 0 dist 8.00085 13.5611 9.94704 12.0697 9.89083 14.8479 numMergedOcc 0
26 mol 109 unq 7 iso 0 dist 8.00085 13.5611 9.94704 6.80429 8.52024 11.5656 numMergedOcc 0
27 mol 113 unq 0 iso 0 dist 5.32773 6.61244 6.12348 12.9469 8.80934 14.0364 numMergedOcc 0
28 mol 113 unq 1 iso 0 dist 5.32773 4.80164 7.2672 12.9469 8.80934 12.1308 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 6.14652 13.5949 8.78303 7.07625 9.33094 11.9294 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 6.14652 13.5949 8.78303 10.4858 8.69531 6.36794 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 8.09403 3.76321 8.27396 4.59843 5.96423 4.41193 numMergedOcc 0
32 mol 188 unq 0 iso 0 dist 8.01604 4.37168 7.6482 10.0103 7.88013 6.04074 numMergedOcc 0
33 mol 188 unq 1 iso 0 dist 7.03264 5.23978 7.6482 7.94258 7.88013 6.04074 numMergedOcc 0
34 mol 188 unq 2 iso 0 dist 9.07006 4.37168 9.30803 10.0103 9.90062 6.04074 numMergedOcc 0
35 mol 188 unq 3 iso 0 dist 6.32826 5.23978 9.30803 7.94258 9.90062 6.04074 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.61255 10.0125 7.15079 7.62102 9.30212 4.37547 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 7.64703 6.59723 4.97796 7.62102 6.4611 4.56913 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 9.88198 13.9436 7.59142 10.7368 6.35028 11.6042 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 7.48212 4.56764 5.72473 5.0721 7.20674 8.04474 numMergedOcc 0
