0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 20.6632 14.4535 10.4744 6.11056 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 12.345 13.3732 11.8286 8.38387 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 12.345 12.9363 11.8286 8.38387 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 9.59687 11.7434 7.83419 6.58793 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 15.562 12.6493 6.59772 4.98864 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 15.1687 13.7044 4.86477 7.95871 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 12.9567 10.8507 7.30858 13.6739 14.0784 8.25001 9.35868 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 15.562 12.6493 10.9437 4.98864 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 15.1687 13.7044 12.0354 7.95871 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 15.2887 12.5189 6.75472 5.02717 numMergedOcc 0
10 mol 115 unq 6 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 15.2887 12.5189 11.0268 5.02717 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 15.0483 18.7881 10.4485 6.90827 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 18.9532 20.7361 13.8755 8.90977 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.53153 5.78974 9.91388 6.29975 6.69554 9.52634 7.49664 10.2159 13.0836 9.3894 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.29673 5.78974 7.24514 6.29975 7.6656 9.52634 7.49664 14.8299 13.0836 9.3894 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 11.6766 13.1529 11.1874 8.07256 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 11.6766 13.1529 8.36099 8.07256 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 11.6766 12.6103 11.1874 8.07256 numMergedOcc 0
18 mol 152 unq 3 iso 0 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 11.6766 12.6103 8.36099 8.07256 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 7.51923 5.1071 9.774 7.94694 5.63422 7.7366 16.3384 14.4684 13.6173 9.36079 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 7.51923 5.1071 9.774 7.94694 5.63422 7.7366 13.2408 12.7047 9.96254 7.42904 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 10.5366 8.46129 5.72088 8.39002 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 10.5366 8.46129 6.51315 8.39002 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 14.6947 6.91102 5.81334 10.5366 8.46129 6.51315 9.2053 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 8.52933 10.568 9.06952 13.4598 6.84129 7.03423 17.8138 13.754 10.7439 8.6537 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 8.9413 5.88703 9.45496 16.6823 12.3151 12.0816 7.86368 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 6.15754 14.0876 9.36357 8.9413 5.88703 6.7625 16.6823 12.3151 6.94762 7.86368 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 6.6281 10.0624 6.56247 11.5469 5.88703 9.45496 18.5013 12.3151 12.0816 7.86368 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 6.6281 13.9869 9.36357 11.5469 5.88703 6.7625 18.5013 12.3151 6.94762 7.86368 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 16.6023 11.2664 5.26654 8.90987 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 16.6023 11.2664 3.82437 8.90987 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 16.6023 11.2664 13.8124 8.90987 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 5.29682 4.69778 8.13497 6.00285 9.73107 10.4985 5.90645 numMergedOcc 0
