0 mol 25 unq 0 iso 0 dist 9.23015 8.97282 8.07318 13.2682 6.47509 6.55597 17.6416 12.8378 8.89681 6.6492 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.23015 4.54526 7.44277 8.94828 5.63212 4.79873 10.812 12.3361 6.86525 6.90155 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.75521 5.34976 9.50614 10.9711 11.4153 6.66407 7.52817 11.8517 4.69849 8.44903 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.74209 14.5833 8.34145 12.0618 4.96926 6.66407 11.8036 7.15901 4.69849 8.44903 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.85555 14.1685 8.34145 14.4841 4.96926 6.66407 9.77201 7.15901 4.69849 8.44903 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.15039 10.9165 8.77529 16.7537 9.67727 9.2898 21.4448 13.8403 15.8558 8.63486 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.91019 13.2897 8.46627 9.49512 6.41115 5.5087 15.0897 9.28577 5.50891 8.85586 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.91019 13.2897 8.46627 9.49512 6.41115 5.5087 15.909 11.9068 7.50869 7.11 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.91019 13.2897 8.46627 11.5741 5.9144 5.61588 15.0897 9.28577 5.50891 5.16364 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 5.91019 14.1134 9.22208 9.49512 6.41115 6.08682 15.0897 9.28577 4.75954 8.85586 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 5.91019 14.1134 9.22208 9.49512 6.41115 6.08682 15.909 11.9068 3.6807 7.11 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 5.91019 14.1134 9.22208 11.5741 5.9144 7.83244 15.0897 9.28577 4.75954 5.16364 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.28726 10.8273 9.59729 19.3033 15.4159 9.85905 19.465 17.7033 11.0792 4.79949 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 9.28726 10.8273 9.59729 19.3033 15.4159 9.85905 15.1936 15.0426 6.48293 7.27693 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 6.62354 7.53887 9.09348 9.26438 5.00433 7.07971 12.3653 9.78192 6.8409 5.34214 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 8.00085 7.83378 9.09348 6.43255 5.00433 7.07971 5.55157 9.78192 6.8409 5.34214 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.54304 9.02908 7.65564 11.172 6.01673 9.42082 12.113 10.6602 10.5109 5.72642 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 9.47287 9.41378 7.5573 14.3383 7.21225 6.93139 11.7562 6.5739 6.76477 8.33077 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.14652 11.6261 8.62504 9.14415 4.46337 9.66543 9.75179 5.11043 4.935 7.36779 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 6.14652 11.6261 8.62504 9.79337 7.41373 7.21868 9.75179 5.11043 4.935 8.20836 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 5.05627 6.83215 7.92216 10.9387 13.2918 8.07097 4.86119 6.77921 5.25982 6.69515 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 9.11314 15.2752 9.29944 12.9413 4.78563 5.40637 20.4757 13.1913 6.16103 8.41611 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 9.11314 15.2752 9.29944 12.9413 4.78563 5.40637 16.3333 10.6706 8.4697 7.63338 numMergedOcc 0
23 mol 143 unq 2 iso 0 dist 9.11314 15.2752 9.29944 12.9413 4.78563 5.40637 13.2779 10.8457 5.41614 9.03707 numMergedOcc 0
24 mol 143 unq 3 iso 0 dist 9.11314 15.2752 9.29944 12.9413 4.78563 5.40637 11.3023 8.612 6.78032 7.25673 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 5.56977 10.4985 9.43017 16.8522 16.8346 7.46481 14.1388 13.6759 5.73082 6.38157 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.22453 10.3171 7.16209 7.151 11.2997 9.57499 6.63088 13.6334 14.6871 6.57903 numMergedOcc 0
