0 mol 43 unq 0 iso 0 dist 6.6263 10.8828 8.34145 9.93832 4.55347 7.24352 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.75943 5.07458 8.34145 8.60739 4.55347 7.24352 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 6.66407 4.96926 8.34145 8.44903 4.69849 7.15901 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.2898 9.67727 8.77529 14.8135 8.97695 7.06146 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.56212 6.08003 8.66724 8.64015 4.88345 7.17026 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.76379 10.867 8.7515 15.8449 9.34648 8.04168 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.22631 4.93402 7.23305 10.5202 5.33894 6.18348 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.11586 16.9857 8.75345 11.392 4.21171 7.27506 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.7988 11.0625 6.96745 15.875 10.4065 5.43933 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.40824 14.5726 6.96745 19.2261 10.4065 5.43933 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 4.22363 9.05551 6.96745 13.5615 10.4065 5.43933 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 6.93139 7.21225 7.5573 8.33077 6.76477 6.5739 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.66543 4.46337 8.62504 7.36779 4.935 5.11043 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.21868 7.41373 8.62504 8.20836 4.935 5.11043 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 7.93372 10.8635 8.62504 10.873 4.935 5.11043 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.07097 13.2918 7.92216 6.69515 5.25982 6.77921 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.37047 7.39837 9.29944 13.4668 15.2605 8.68663 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 5.40637 4.78563 9.29944 7.25673 6.78032 8.612 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 9.08274 6.86812 8.75024 11.1904 9.3696 9.00677 numMergedOcc 0
19 mol 170 unq 1 iso 0 dist 9.51256 5.7304 8.75024 13.9795 9.3696 9.00677 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 5.12567 4.56899 4.76113 7.96797 5.47626 8.78061 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 5.23634 4.1511 6.09335 8.38865 7.3164 5.28771 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 6.91318 4.69247 6.09335 5.4694 7.3164 5.28771 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 9.82601 13.28 9.02417 13.6752 9.29305 6.42747 numMergedOcc 0
24 mol 251 unq 1 iso 0 dist 6.50357 11.5298 9.02417 10.0608 9.29305 6.42747 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 5.90924 5.71153 9.78237 7.52281 7.36132 6.02757 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 5.90924 6.87635 9.95798 7.52281 7.36132 8.67231 numMergedOcc 0
27 mol 264 unq 2 iso 0 dist 5.90058 12.6872 9.78237 12.2392 7.36132 6.02757 numMergedOcc 0
28 mol 264 unq 3 iso 0 dist 5.90058 12.9337 9.95798 12.2392 7.36132 8.67231 numMergedOcc 0
29 mol 264 unq 4 iso 0 dist 9.58916 6.56539 9.78237 6.42588 7.36132 6.02757 numMergedOcc 0
30 mol 264 unq 5 iso 0 dist 9.58916 4.76241 9.95798 6.42588 7.36132 8.67231 numMergedOcc 0
31 mol 264 unq 6 iso 0 dist 9.19754 11.4167 9.78237 6.04162 5.82131 7.14086 numMergedOcc 0
32 mol 264 unq 7 iso 0 dist 8.29262 13.2035 9.78237 6.14323 5.82131 7.14086 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 9.19921 11.7046 9.69019 13.9691 5.69778 9.07503 numMergedOcc 0
34 mol 284 unq 1 iso 0 dist 6.41303 7.70187 9.69019 10.4342 5.69778 9.07503 numMergedOcc 0
