0 mol 11 unq 0 iso 0 dist 6.50001 3.77561 6.54358 4.46394 6.859 6.86684 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.97769 4.41883 8.111 13.903 8.60614 10.7396 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 6.53276 4.44526 6.38336 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.36381 5.80023 7.27472 6.81998 9.586 6.7828 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.77745 5.8503 7.05196 4.32173 5.20109 7.33728 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.90986 14.3129 9.12845 14.288 6.81793 6.04762 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 7.57749 14.3993 9.9787 6.70122 5.43693 11.1395 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 8.55202 4.53545 9.9787 10.7567 5.43693 11.1395 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.63973 9.42791 8.23026 13.5835 8.77077 6.5901 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.54368 5.1219 7.13008 4.16536 8.98912 7.05542 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.54368 5.1219 7.13008 9.64683 8.93769 10.9681 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.43496 9.56471 7.06939 15.7834 6.87506 9.44576 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.33961 11.1668 9.64383 11.2155 9.25444 18.5442 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.33961 11.1668 9.64383 9.96465 8.46823 16.4267 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.33961 12.7318 7.54889 11.2155 9.25444 9.85543 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 5.33961 12.7318 7.54889 9.96465 8.46823 9.67482 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.33961 12.3835 7.78931 11.2155 9.25444 7.28361 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 5.33961 12.3835 7.78931 9.96465 8.46823 12.0974 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 8.3505 4.75138 5.10496 11.9783 9.84703 7.94178 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 8.3505 4.75138 5.10496 7.43001 4.62494 4.4057 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 8.3505 10.4417 5.92242 11.9783 9.84703 15.7178 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 8.3505 10.4417 5.92242 7.43001 4.62494 7.42446 numMergedOcc 0
22 mol 98 unq 10 iso 0 dist 8.3505 11.3628 5.2571 11.9783 9.84703 9.85543 numMergedOcc 0
23 mol 98 unq 11 iso 0 dist 8.3505 11.3628 5.2571 7.43001 4.62494 9.67482 numMergedOcc 0
24 mol 98 unq 12 iso 0 dist 8.3505 13.9599 8.7497 11.9783 9.84703 7.28361 numMergedOcc 0
25 mol 98 unq 13 iso 0 dist 8.3505 13.9599 8.7497 7.43001 4.62494 12.0974 numMergedOcc 0
26 mol 98 unq 14 iso 0 dist 9.29816 5.70962 9.64383 18.3829 9.25444 18.5442 numMergedOcc 0
27 mol 98 unq 15 iso 0 dist 9.29816 5.70962 9.64383 13.7832 8.46823 16.4267 numMergedOcc 0
28 mol 98 unq 16 iso 0 dist 9.29816 14.676 7.54889 18.3829 9.25444 9.85543 numMergedOcc 0
29 mol 98 unq 17 iso 0 dist 9.29816 14.676 7.54889 13.7832 8.46823 9.67482 numMergedOcc 0
30 mol 98 unq 18 iso 0 dist 9.29816 16.3389 7.78931 18.3829 9.25444 7.28361 numMergedOcc 0
31 mol 98 unq 19 iso 0 dist 9.29816 16.3389 7.78931 13.7832 8.46823 12.0974 numMergedOcc 0
32 mol 98 unq 20 iso 0 dist 5.08983 10.1978 9.64383 9.51607 9.25444 18.5442 numMergedOcc 0
33 mol 98 unq 21 iso 0 dist 5.08983 10.1978 9.64383 12.5752 8.46823 16.4267 numMergedOcc 0
34 mol 98 unq 22 iso 0 dist 5.08983 7.1452 7.54889 9.51607 9.25444 9.85543 numMergedOcc 0
35 mol 98 unq 23 iso 0 dist 5.08983 7.1452 7.54889 12.5752 8.46823 9.67482 numMergedOcc 0
36 mol 98 unq 24 iso 0 dist 5.08983 4.96747 7.78931 9.51607 9.25444 7.28361 numMergedOcc 0
37 mol 98 unq 25 iso 0 dist 5.08983 4.96747 7.78931 12.5752 8.46823 12.0974 numMergedOcc 0
38 mol 109 unq 0 iso 0 dist 9.46621 10.404 9.89083 4.03135 7.56755 10.0688 numMergedOcc 0
39 mol 109 unq 1 iso 0 dist 9.46621 10.6893 8.52024 4.03135 7.56755 7.74599 numMergedOcc 0
40 mol 109 unq 2 iso 0 dist 9.94704 14.8479 9.89083 4.81814 7.56755 10.0688 numMergedOcc 0
41 mol 109 unq 3 iso 0 dist 9.94704 11.5656 8.52024 4.81814 7.56755 7.74599 numMergedOcc 0
42 mol 112 unq 0 iso 0 dist 4.77996 4.34071 5.56994 6.43704 6.11407 5.76986 numMergedOcc 0
43 mol 119 unq 0 iso 0 dist 9.10803 12.7349 9.77575 6.49348 6.18678 6.36778 numMergedOcc 0
44 mol 129 unq 0 iso 0 dist 6.53559 6.43966 5.51197 4.92611 6.34626 4.92472 numMergedOcc 0
45 mol 129 unq 1 iso 0 dist 8.09774 5.56946 5.51197 6.15789 6.34626 4.92472 numMergedOcc 0
46 mol 154 unq 0 iso 0 dist 5.06116 5.5065 8.33439 9.10645 8.71789 7.51976 numMergedOcc 0
47 mol 154 unq 1 iso 0 dist 5.06116 5.5065 8.33439 4.02111 5.2693 7.23684 numMergedOcc 0
48 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 8.61147 9.16358 5.50031 numMergedOcc 0
49 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 5.45915 9.24038 6.89781 numMergedOcc 0
50 mol 167 unq 0 iso 0 dist 6.48993 6.64464 6.84752 4.43501 8.86449 4.64019 numMergedOcc 0
51 mol 167 unq 1 iso 0 dist 6.48993 5.70785 7.86563 4.43501 8.86449 5.90938 numMergedOcc 0
52 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 4.43501 8.86449 7.08726 numMergedOcc 0
53 mol 168 unq 0 iso 0 dist 7.30338 12.1014 6.02086 4.10406 9.42807 12.9045 numMergedOcc 0
54 mol 184 unq 0 iso 0 dist 8.27396 4.41193 5.96423 12.4352 7.58375 8.08596 numMergedOcc 0
55 mol 186 unq 0 iso 0 dist 6.52441 11.7795 7.2793 6.33168 6.88127 10.5063 numMergedOcc 0
56 mol 188 unq 0 iso 0 dist 7.6482 6.04074 7.88013 5.15888 8.66624 8.77113 numMergedOcc 0
57 mol 224 unq 0 iso 0 dist 6.32334 6.31508 6.99769 4.12728 9.25617 5.91654 numMergedOcc 0
58 mol 224 unq 1 iso 0 dist 6.32334 6.31508 6.99769 7.13796 9.05276 9.14278 numMergedOcc 0
59 mol 224 unq 2 iso 0 dist 6.32334 5.72088 8.79428 4.12728 9.25617 7.38836 numMergedOcc 0
60 mol 224 unq 3 iso 0 dist 6.32334 5.72088 8.79428 7.13796 9.05276 12.4832 numMergedOcc 0
61 mol 224 unq 4 iso 0 dist 6.32334 6.51315 6.8692 4.12728 9.25617 10.6079 numMergedOcc 0
62 mol 224 unq 5 iso 0 dist 6.32334 6.51315 6.8692 7.13796 9.05276 11.5752 numMergedOcc 0
63 mol 239 unq 0 iso 0 dist 7.63381 9.86326 6.73665 15.9388 8.95511 11.169 numMergedOcc 0
64 mol 239 unq 1 iso 0 dist 7.63381 9.86326 6.73665 4.22981 5.85002 5.88931 numMergedOcc 0
65 mol 239 unq 2 iso 0 dist 7.63381 5.82779 9.34438 15.9388 8.95511 18.2672 numMergedOcc 0
66 mol 239 unq 3 iso 0 dist 7.63381 5.82779 9.34438 4.22981 5.85002 6.22471 numMergedOcc 0
67 mol 239 unq 4 iso 0 dist 7.63381 13.5224 9.35949 15.9388 8.95511 13.9678 numMergedOcc 0
68 mol 239 unq 5 iso 0 dist 7.63381 13.5224 9.35949 4.22981 5.85002 9.88845 numMergedOcc 0
69 mol 273 unq 0 iso 0 dist 8.89714 8.50795 6.31969 13.9497 5.61969 7.81483 numMergedOcc 0
70 mol 273 unq 1 iso 0 dist 8.89714 8.50795 6.31969 15.8207 9.0277 7.92179 numMergedOcc 0
71 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 6.70266 9.65868 9.5468 numMergedOcc 0
72 mol 274 unq 1 iso 0 dist 4.97796 4.56913 6.4611 5.15747 8.60027 6.70925 numMergedOcc 0
73 mol 274 unq 2 iso 0 dist 7.15079 4.37547 9.30212 9.95931 7.77765 9.5468 numMergedOcc 0
74 mol 279 unq 0 iso 0 dist 7.59142 11.6042 6.35028 4.01471 7.17958 12.6502 numMergedOcc 0
75 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 6.08322 8.62162 8.83082 numMergedOcc 0
