0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 3.77561 4.61088 6.54358 4.46394 5.96346 6.859 6.86684 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 6.53276 8.23446 4.44526 13.1779 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 6.81998 8.75662 9.586 10.8238 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 6.53276 8.23446 4.44526 6.38336 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 6.81998 8.75662 9.586 6.7828 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 4.04757 8.44664 9.98592 10.971 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 4.04757 8.44664 9.98592 5.30734 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 4.32173 6.16347 5.20109 9.34396 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 4.32173 6.16347 5.20109 10.8498 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 4.32173 7.45383 5.20109 7.33728 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 15.0931 8.34347 14.8317 14.288 11.9684 6.81793 17.4462 numMergedOcc 0
11 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 5.3315 8.34347 13.6027 10.5687 10.177 6.07276 15.5 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 4.37642 5.93884 9.53438 5.78774 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 4.37642 7.68678 9.53438 5.78774 numMergedOcc 0
14 mol 71 unq 0 iso 0 dist 9.50139 9.47964 11.9362 6.53623 7.38797 14.291 11.8589 17.963 9.0504 16.968 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 8.78063 6.97941 9.76346 13.5835 14.1196 8.77077 12.9045 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 11.9783 11.3043 9.84703 7.94178 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 7.43001 6.65501 4.62494 4.4057 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 11.9783 11.3043 9.84703 15.7178 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 7.43001 6.65501 4.62494 7.42446 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 11.9783 11.3043 9.84703 9.85543 numMergedOcc 0
21 mol 98 unq 5 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 7.43001 6.65501 4.62494 9.67482 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 4.81814 7.80523 7.56755 7.74599 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 6.49348 8.00003 6.18678 10.4376 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 6.49348 13.7362 6.18678 18.5424 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 6.49348 9.77873 6.18678 15.0404 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.61575 9.61051 11.3039 4.92611 7.58957 6.34626 5.68211 numMergedOcc 0
27 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 4.92611 7.58957 6.34626 10.5488 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 4.12728 11.9653 9.25617 11.1545 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 7.13796 14.5387 9.05276 16.8238 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 4.12728 11.9653 9.25617 7.38836 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 7.13796 14.5387 9.05276 12.4832 numMergedOcc 0
32 mol 224 unq 4 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 4.12728 11.9653 9.25617 10.6079 numMergedOcc 0
33 mol 224 unq 5 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 7.13796 14.5387 9.05276 11.5752 numMergedOcc 0
34 mol 224 unq 6 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 4.12728 10.8507 9.25617 5.91654 numMergedOcc 0
35 mol 224 unq 7 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 7.13796 13.4196 9.05276 9.14278 numMergedOcc 0
36 mol 224 unq 8 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 4.12728 10.8507 9.25617 7.38836 numMergedOcc 0
37 mol 224 unq 9 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 7.13796 13.4196 9.05276 12.4832 numMergedOcc 0
38 mol 224 unq 10 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 4.12728 10.8507 9.25617 10.6079 numMergedOcc 0
39 mol 224 unq 11 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 7.13796 13.4196 9.05276 11.5752 numMergedOcc 0
40 mol 224 unq 12 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 4.12728 12.9355 9.25617 10.6079 numMergedOcc 0
41 mol 224 unq 13 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 7.13796 12.8311 9.05276 11.5752 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 9.95931 15.461 7.77765 15.2532 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 6.08322 14.0973 8.62162 8.83082 numMergedOcc 0
