0 mol 11 unq 0 iso 0 dist 6.50001 4.46394 6.859 5.95165 4.10106 5.96346 3.77561 6.54358 6.86684 4.61088 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.54508 10.5851 8.49709 15.9016 13.0212 9.01567 15.9753 15.4457 8.67951 6.86014 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.36381 6.53276 4.44526 9.54519 5.50396 8.23446 13.2653 9.33482 13.1779 5.54419 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.36381 6.53276 4.44526 9.54519 5.50396 8.23446 5.80023 7.27472 6.38336 7.36323 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.36381 6.81998 9.586 9.54519 5.50396 8.75662 13.2653 9.33482 10.8238 5.54419 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.36381 6.81998 9.586 9.54519 5.50396 8.75662 5.80023 7.27472 6.7828 7.36323 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.36381 6.81998 9.586 12.511 14.4081 9.44691 18.4381 17.9275 13.4893 8.86116 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.36381 6.81998 9.586 12.511 14.4081 9.44691 18.332 19.8965 12.505 8.38394 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 8.94703 4.04757 9.98592 6.11056 4.79736 8.44664 10.4744 12.3058 10.971 8.86116 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 8.94703 4.04757 9.98592 6.11056 4.79736 8.44664 6.9756 10.6772 5.30734 8.38394 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 5.77745 4.32173 5.20109 8.40051 5.63212 6.16347 13.466 10.9703 9.34396 7.57578 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 5.77745 4.32173 5.20109 8.40051 5.63212 6.16347 14.4191 10.3338 10.8498 7.17969 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 5.77745 4.32173 5.20109 8.6396 6.47509 7.45383 5.8503 7.05196 7.33728 5.04899 numMergedOcc 0
13 mol 41 unq 0 iso 0 dist 4.47883 9.73623 6.21128 17.2956 13.4019 8.51663 18.069 13.8177 8.94326 6.19529 numMergedOcc 0
14 mol 41 unq 1 iso 0 dist 6.07514 7.10946 6.21128 13.3754 13.4019 8.51663 15.7708 13.8177 8.94326 6.19529 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 8.85156 4.37642 9.53438 9.01612 6.57389 9.92355 5.40367 10.2845 5.78774 6.86465 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 8.85156 4.37642 9.53438 6.36193 4.23671 5.93884 5.40367 10.2845 5.78774 6.62496 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 8.85156 4.37642 9.53438 4.88613 5.6823 7.68678 5.40367 10.2845 5.78774 6.35756 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.33961 9.96465 8.46823 14.4342 10.4782 6.65501 12.3919 9.81956 4.4057 5.08437 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 5.33961 9.96465 8.46823 14.4342 10.4782 6.65501 13.8659 10.8223 7.42446 6.48948 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 5.33961 9.96465 8.46823 14.4342 10.4782 6.65501 12.7318 7.54889 9.67482 6.10456 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 8.3505 7.43001 4.62494 5.9747 3.9764 6.65501 4.75138 5.10496 4.4057 5.08437 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 8.3505 7.43001 4.62494 5.9747 3.9764 6.65501 10.4417 5.92242 7.42446 6.48948 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 8.3505 7.43001 4.62494 5.9747 3.9764 6.65501 11.3628 5.2571 9.67482 6.10456 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 9.29816 13.7832 8.46823 16.5524 10.4782 6.65501 17.0916 9.81956 4.4057 5.08437 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 9.29816 13.7832 8.46823 16.5524 10.4782 6.65501 12.7455 10.8223 7.42446 6.48948 numMergedOcc 0
26 mol 98 unq 8 iso 0 dist 9.29816 13.7832 8.46823 16.5524 10.4782 6.65501 14.676 7.54889 9.67482 6.10456 numMergedOcc 0
27 mol 98 unq 9 iso 0 dist 5.08983 12.5752 8.46823 12.3884 10.4782 6.65501 12.4265 9.81956 4.4057 5.08437 numMergedOcc 0
28 mol 98 unq 10 iso 0 dist 5.08983 12.5752 8.46823 12.3884 10.4782 6.65501 14.0653 10.8223 7.42446 6.48948 numMergedOcc 0
29 mol 98 unq 11 iso 0 dist 5.08983 12.5752 8.46823 12.3884 10.4782 6.65501 7.1452 7.54889 9.67482 6.10456 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 9.46621 4.03135 7.56755 11.1103 5.00433 7.80523 10.6893 8.52024 7.74599 8.69985 numMergedOcc 0
31 mol 109 unq 1 iso 0 dist 9.94704 4.81814 7.56755 8.3164 5.00433 7.80523 11.5656 8.52024 7.74599 8.69985 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 9.10803 6.49348 6.18678 6.18763 9.85023 8.00003 5.3154 13.6983 10.4376 6.18601 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 6.53559 4.92611 6.34626 6.38163 6.28232 7.58957 8.61575 11.3039 5.68211 9.61051 numMergedOcc 0
34 mol 129 unq 1 iso 0 dist 6.53559 4.92611 6.34626 6.38163 6.28232 7.58957 10.0961 11.7541 10.5488 5.83384 numMergedOcc 0
35 mol 129 unq 2 iso 0 dist 8.09774 6.15789 6.34626 12.0922 6.28232 7.58957 9.81062 11.3039 5.68211 9.61051 numMergedOcc 0
36 mol 129 unq 3 iso 0 dist 8.09774 6.15789 6.34626 12.0922 6.28232 7.58957 15.4394 11.7541 10.5488 5.83384 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 7.25009 8.61147 9.16358 10.6076 4.91785 7.92304 10.4606 8.97626 5.50031 6.43582 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 6.26168 5.18732 9.99396 9.44405 10.8286 8.73217 14.7094 17.8564 11.7429 7.54065 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 4.97796 5.15747 8.60027 12.6706 16.9539 8.52587 9.85454 12.8334 5.29529 7.56915 numMergedOcc 0
