0 mol 28 unq 0 iso 0 dist 8.70005 9.05939 6.20881 9.38747 11.4016 5.89728 10.5266 10.79 8.24422 8.99724 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.70005 9.38747 11.4016 9.05939 6.20881 5.89728 10.5266 10.79 8.99724 8.24422 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.17591 7.13608 6.97536 4.95327 6.4024 5.07181 13.7123 16.3601 9.46895 13.182 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 4.76283 6.14513 5.01302 7.4392 4.64256 4.86089 3.843 4.87423 7.12853 9.1134 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 6.85356 4.63063 4.56026 12.5626 13.9009 8.44695 11.9229 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 6.85356 4.63063 4.56026 12.3241 8.66342 5.68894 7.32265 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.02351 6.85356 4.63063 6.7939 5.4653 4.56026 12.3241 8.66342 7.32265 5.68894 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.53504 5.68894 7.92924 7.32265 8.30433 4.56026 12.3241 12.1654 6.7939 6.85356 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.53504 5.68894 7.92924 7.32265 8.30433 4.56026 9.3197 15.154 8.44695 11.9229 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.53504 7.32265 8.30433 5.68894 7.92924 4.56026 12.3241 12.1654 6.85356 6.7939 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 8.66342 5.68894 5.4653 7.32265 4.63063 4.56026 12.3241 7.02351 6.7939 6.85356 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 8.66342 5.68894 5.4653 7.32265 4.63063 4.56026 9.3197 13.9009 8.44695 11.9229 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 8.66342 7.32265 4.63063 5.68894 5.4653 4.56026 12.3241 7.02351 6.85356 6.7939 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 7.21285 5.68894 7.09483 7.32265 4.68175 4.56026 12.3241 10.4593 6.7939 6.85356 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 7.21285 5.68894 7.09483 7.32265 4.68175 4.56026 9.3197 14.8104 8.44695 11.9229 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 7.21285 7.32265 4.68175 5.68894 7.09483 4.56026 12.3241 10.4593 6.85356 6.7939 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 6.95094 5.68894 11.341 7.32265 10.0459 4.56026 12.3241 16.7273 6.7939 6.85356 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 6.95094 5.68894 11.341 7.32265 10.0459 4.56026 9.3197 15.6303 8.44695 11.9229 numMergedOcc 0
18 mol 73 unq 14 iso 0 dist 6.95094 7.32265 10.0459 5.68894 11.341 4.56026 12.3241 16.7273 6.85356 6.7939 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 8.87856 6.62952 11.2334 7.88143 6.62867 8.21408 5.4823 11.3126 4.3521 10.5625 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 6.2491 6.62952 7.89992 7.88143 12.7928 8.21408 5.4823 3.59451 4.3521 10.5625 numMergedOcc 0
21 mol 99 unq 0 iso 0 dist 8.23566 9.39801 12.5118 4.82346 4.74328 9.73996 4.8794 11.1962 6.02154 8.07233 numMergedOcc 0
22 mol 99 unq 1 iso 0 dist 8.23566 9.39801 12.5118 8.89165 6.55763 10.6378 4.8794 11.1962 6.02154 11.2111 numMergedOcc 0
23 mol 99 unq 2 iso 0 dist 8.23566 4.82346 4.74328 9.39801 12.5118 9.73996 4.8794 11.1962 8.07233 6.02154 numMergedOcc 0
24 mol 99 unq 3 iso 0 dist 8.23566 4.82346 4.74328 8.89165 6.55763 4.41001 4.8794 11.1962 8.07233 11.2111 numMergedOcc 0
25 mol 209 unq 0 iso 0 dist 8.65539 6.74526 6.04843 8.12326 10.2501 5.00665 5.1282 12.8755 8.68691 7.37014 numMergedOcc 0
26 mol 209 unq 1 iso 0 dist 8.65539 8.12326 10.2501 6.74526 6.04843 5.00665 5.1282 12.8755 7.37014 8.68691 numMergedOcc 0
27 mol 209 unq 2 iso 0 dist 8.65539 8.12326 10.2501 6.74526 6.04843 5.00665 9.5473 16.3357 8.20431 11.8578 numMergedOcc 0
28 mol 209 unq 3 iso 0 dist 7.757 8.20431 5.86856 8.8886 8.13817 8.77944 9.5473 12.9945 8.12326 12.3462 numMergedOcc 0
29 mol 209 unq 4 iso 0 dist 7.757 8.20431 5.86856 8.8886 8.13817 8.77944 5.35106 10.2873 7.37014 11.6012 numMergedOcc 0
30 mol 209 unq 5 iso 0 dist 7.757 8.8886 8.13817 8.20431 5.86856 8.77944 6.11542 9.56015 8.78565 12.5799 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 9.56271 8.08702 4.56028 9.57625 13.0906 11.0459 10.3111 14.3572 9.984 12.5698 numMergedOcc 0
32 mol 223 unq 0 iso 0 dist 9.86372 7.76053 8.36102 7.96628 4.73988 4.71901 7.55127 15.8519 9.65728 12.8908 numMergedOcc 0
33 mol 223 unq 1 iso 0 dist 7.70946 7.76053 5.43913 7.96628 4.78255 4.71901 7.55127 12.2562 9.65728 12.8908 numMergedOcc 0
34 mol 261 unq 0 iso 0 dist 8.64393 6.99444 7.70154 8.25759 7.45398 5.29945 10.4134 16.2083 9.38192 13.3884 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 9.36052 7.84151 10.402 7.85797 5.78379 12.9925 6.91672 13.5125 7.346 13.6755 numMergedOcc 0
