0 mol 11 unq 0 iso 0 dist 5.59847 7.4835 6.50001 5.51815 6.54358 3.77561 10.4181 6.859 4.46394 6.86684 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 10.7171 6.36381 14.0586 7.27472 5.80023 12.5434 4.44526 6.53276 6.38336 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.48944 10.7171 6.36381 14.0586 7.27472 5.80023 11.8259 9.586 6.81998 6.7828 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.23015 4.93826 5.77745 10.7149 7.05196 5.8503 6.84017 5.20109 4.32173 7.33728 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.91797 6.80592 5.33961 15.3018 9.64383 11.1668 5.081 8.46823 9.96465 16.4267 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.91797 6.80592 5.33961 15.3018 9.64383 11.1668 6.3915 9.25444 11.2155 18.5442 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.91797 6.80592 5.33961 9.41666 7.54889 12.7318 5.081 8.46823 9.96465 9.67482 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 5.91797 6.80592 5.33961 9.41666 7.54889 12.7318 6.3915 9.25444 11.2155 9.85543 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 5.91797 6.80592 5.33961 9.57791 7.78931 12.3835 5.081 8.46823 9.96465 12.0974 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 5.91797 6.80592 5.33961 9.57791 7.78931 12.3835 6.3915 9.25444 11.2155 7.28361 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 5.91797 13.4907 9.29816 15.3018 9.64383 5.70962 5.081 8.46823 13.7832 16.4267 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 5.91797 13.4907 9.29816 15.3018 9.64383 5.70962 6.3915 9.25444 18.3829 18.5442 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 5.91797 13.4907 9.29816 9.41666 7.54889 14.676 5.081 8.46823 13.7832 9.67482 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 5.91797 13.4907 9.29816 9.41666 7.54889 14.676 6.3915 9.25444 18.3829 9.85543 numMergedOcc 0
14 mol 98 unq 10 iso 0 dist 5.91797 13.4907 9.29816 9.57791 7.78931 16.3389 5.081 8.46823 13.7832 12.0974 numMergedOcc 0
15 mol 98 unq 11 iso 0 dist 5.91797 13.4907 9.29816 9.57791 7.78931 16.3389 6.3915 9.25444 18.3829 7.28361 numMergedOcc 0
16 mol 98 unq 12 iso 0 dist 5.91797 9.55396 5.08983 15.3018 9.64383 10.1978 5.081 8.46823 12.5752 16.4267 numMergedOcc 0
17 mol 98 unq 13 iso 0 dist 5.91797 9.55396 5.08983 15.3018 9.64383 10.1978 6.3915 9.25444 9.51607 18.5442 numMergedOcc 0
18 mol 98 unq 14 iso 0 dist 5.91797 9.55396 5.08983 9.41666 7.54889 7.1452 5.081 8.46823 12.5752 9.67482 numMergedOcc 0
19 mol 98 unq 15 iso 0 dist 5.91797 9.55396 5.08983 9.41666 7.54889 7.1452 6.3915 9.25444 9.51607 9.85543 numMergedOcc 0
20 mol 98 unq 16 iso 0 dist 5.91797 9.55396 5.08983 9.57791 7.78931 4.96747 5.081 8.46823 12.5752 12.0974 numMergedOcc 0
21 mol 98 unq 17 iso 0 dist 5.91797 9.55396 5.08983 9.57791 7.78931 4.96747 6.3915 9.25444 9.51607 7.28361 numMergedOcc 0
22 mol 98 unq 18 iso 0 dist 6.37954 10.4899 8.3505 5.90686 5.10496 4.75138 6.3915 9.84703 11.9783 7.94178 numMergedOcc 0
23 mol 98 unq 19 iso 0 dist 6.37954 10.4899 8.3505 5.90686 5.10496 4.75138 5.081 4.62494 7.43001 4.4057 numMergedOcc 0
24 mol 98 unq 20 iso 0 dist 6.37954 10.4899 8.3505 11.2946 5.92242 10.4417 6.3915 9.84703 11.9783 15.7178 numMergedOcc 0
25 mol 98 unq 21 iso 0 dist 6.37954 10.4899 8.3505 11.2946 5.92242 10.4417 5.081 4.62494 7.43001 7.42446 numMergedOcc 0
26 mol 98 unq 22 iso 0 dist 6.37954 10.4899 8.3505 9.41666 5.2571 11.3628 6.3915 9.84703 11.9783 9.85543 numMergedOcc 0
27 mol 98 unq 23 iso 0 dist 6.37954 10.4899 8.3505 9.41666 5.2571 11.3628 5.081 4.62494 7.43001 9.67482 numMergedOcc 0
28 mol 98 unq 24 iso 0 dist 6.37954 10.4899 8.3505 9.57791 8.7497 13.9599 6.3915 9.84703 11.9783 7.28361 numMergedOcc 0
29 mol 98 unq 25 iso 0 dist 6.37954 10.4899 8.3505 9.57791 8.7497 13.9599 5.081 4.62494 7.43001 12.0974 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 6.62354 6.24804 9.46621 4.91393 9.89083 10.404 5.26309 7.56755 4.03135 10.0688 numMergedOcc 0
31 mol 109 unq 1 iso 0 dist 6.62354 6.24804 9.46621 5.68669 8.52024 10.6893 5.26309 7.56755 4.03135 7.74599 numMergedOcc 0
32 mol 109 unq 2 iso 0 dist 6.62354 9.97562 9.94704 4.91393 9.89083 14.8479 5.26309 7.56755 4.81814 10.0688 numMergedOcc 0
33 mol 109 unq 3 iso 0 dist 6.62354 9.97562 9.94704 5.68669 8.52024 11.5656 5.26309 7.56755 4.81814 7.74599 numMergedOcc 0
34 mol 109 unq 4 iso 0 dist 8.00085 14.8896 9.46621 12.0697 9.89083 10.404 11.4333 7.56755 4.03135 10.0688 numMergedOcc 0
35 mol 109 unq 5 iso 0 dist 8.00085 14.8896 9.46621 6.80429 8.52024 10.6893 11.4333 7.56755 4.03135 7.74599 numMergedOcc 0
36 mol 109 unq 6 iso 0 dist 8.00085 13.5611 9.94704 12.0697 9.89083 14.8479 11.4333 7.56755 4.81814 10.0688 numMergedOcc 0
37 mol 109 unq 7 iso 0 dist 8.00085 13.5611 9.94704 6.80429 8.52024 11.5656 11.4333 7.56755 4.81814 7.74599 numMergedOcc 0
38 mol 184 unq 0 iso 0 dist 8.09403 3.76321 8.27396 4.59843 5.96423 4.41193 11.5379 7.58375 12.4352 8.08596 numMergedOcc 0
39 mol 188 unq 0 iso 0 dist 8.01604 4.37168 7.6482 10.0103 7.88013 6.04074 5.58576 8.66624 5.15888 8.77113 numMergedOcc 0
40 mol 188 unq 1 iso 0 dist 7.03264 5.23978 7.6482 7.94258 7.88013 6.04074 9.66868 8.66624 5.15888 8.77113 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.61255 10.0125 7.15079 7.62102 9.30212 4.37547 4.69368 7.77765 9.95931 9.5468 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 7.64703 6.59723 4.97796 7.62102 6.4611 4.56913 4.69368 9.65868 6.70266 9.5468 numMergedOcc 0
43 mol 274 unq 2 iso 0 dist 7.64703 6.59723 4.97796 7.62102 6.4611 4.56913 11.5711 8.60027 5.15747 6.70925 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 9.88198 13.9436 7.59142 10.7368 6.35028 11.6042 14.8531 7.17958 4.01471 12.6502 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 7.48212 4.56764 5.72473 5.0721 7.20674 8.04474 5.17069 8.62162 6.08322 8.83082 numMergedOcc 0
