0 mol 0 unq 0 iso 0 dist 9.19007 7.02374 7.92928 10.5603 4.62412 8.31596 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.19007 7.02374 7.92928 10.4406 5.96303 6.3267 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 6.26831 10.3034 7.48645 15.944 12.5081 8.31596 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 6.26831 10.3034 7.48645 9.23213 4.04089 6.3267 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 6.82379 15.4959 9.07858 17.5554 11.705 6.26865 numMergedOcc 0
5 mol 8 unq 1 iso 0 dist 6.24978 12.0818 9.07858 16.3913 11.705 6.26865 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 9.66439 11.4738 9.07858 16.2553 11.705 6.26865 numMergedOcc 0
7 mol 8 unq 3 iso 0 dist 7.3915 4.85329 9.07858 8.33604 11.705 6.26865 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 7.05346 13.5628 9.82483 12.7944 6.81435 7.2199 numMergedOcc 0
9 mol 9 unq 1 iso 0 dist 7.05346 13.5628 9.82483 18.028 12.6271 6.9513 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 7.05346 13.5628 9.82483 21.1935 17.0455 9.16116 numMergedOcc 0
11 mol 9 unq 3 iso 0 dist 7.05346 13.5628 9.82483 14.3753 10.0146 8.47109 numMergedOcc 0
12 mol 9 unq 4 iso 0 dist 9.78006 5.60154 8.04924 6.85412 7.98363 9.29529 numMergedOcc 0
13 mol 9 unq 5 iso 0 dist 9.78006 5.60154 8.04924 6.33889 10.4204 7.2199 numMergedOcc 0
14 mol 42 unq 0 iso 0 dist 9.53458 11.1435 6.25866 15.5195 7.57552 6.98046 numMergedOcc 0
15 mol 42 unq 1 iso 0 dist 9.16649 9.34878 6.25866 12.4939 7.57552 6.98046 numMergedOcc 0
16 mol 94 unq 0 iso 0 dist 8.16733 8.20144 5.18655 12.5865 5.64735 7.38914 numMergedOcc 0
17 mol 94 unq 1 iso 0 dist 8.16733 8.20144 5.18655 14.2563 6.93872 7.0529 numMergedOcc 0
18 mol 94 unq 2 iso 0 dist 9.97569 11.997 5.18655 12.0145 5.64735 7.38914 numMergedOcc 0
19 mol 94 unq 3 iso 0 dist 9.97569 11.997 5.18655 16.0621 6.93872 7.0529 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.34525 5.31367 8.06525 10.6048 8.36453 9.86739 numMergedOcc 0
21 mol 114 unq 1 iso 0 dist 6.34525 5.31367 8.06525 10.3172 6.18257 9.49413 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.35824 11.1651 7.01126 11.8821 5.95187 4.79852 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 9.17364 11.1651 6.58434 11.8821 5.46129 4.79852 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 6.29367 8.36122 6.61099 11.9973 5.84583 8.57853 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 6.29367 8.36122 6.61099 12.0819 8.21424 6.75035 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 8.06216 7.47048 9.67381 10.9531 7.02365 8.57853 numMergedOcc 0
27 mol 218 unq 3 iso 0 dist 8.06216 7.47048 9.67381 8.53199 5.31559 6.75035 numMergedOcc 0
28 mol 218 unq 4 iso 0 dist 5.76954 7.47048 6.61099 10.9531 5.84583 8.57853 numMergedOcc 0
29 mol 218 unq 5 iso 0 dist 5.76954 7.47048 6.61099 8.53199 8.21424 6.75035 numMergedOcc 0
30 mol 218 unq 6 iso 0 dist 9.20961 12.7963 6.61099 14.73 5.84583 8.57853 numMergedOcc 0
31 mol 218 unq 7 iso 0 dist 9.20961 12.7963 6.61099 13.6555 8.21424 6.75035 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 9.18895 9.60485 7.95883 16.1377 15.2958 8.75834 numMergedOcc 0
33 mol 225 unq 1 iso 0 dist 9.18895 9.60485 7.95883 14.6171 10.4901 7.51827 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 6.6561 8.69249 5.13453 9.88956 7.15437 8.75834 numMergedOcc 0
35 mol 225 unq 3 iso 0 dist 6.6561 8.69249 5.13453 10.7328 7.13893 7.51827 numMergedOcc 0
36 mol 225 unq 4 iso 0 dist 8.87609 5.06326 7.29542 12.2336 8.99405 7.51827 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 8.38865 13.3557 7.89801 13.4493 5.23507 6.152 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 8.38865 13.3557 7.89801 8.17891 5.92529 7.95168 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 5.4694 8.8709 7.89801 9.62609 5.23507 6.152 numMergedOcc 0
40 mol 227 unq 3 iso 0 dist 5.4694 8.8709 7.89801 6.95902 5.92529 7.95168 numMergedOcc 0
41 mol 227 unq 4 iso 0 dist 8.03442 6.43754 7.1372 12.3856 5.95112 7.95168 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.52379 11.6239 7.61203 9.10743 5.88491 6.5772 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 5.52379 12.3042 6.92409 9.10743 5.88491 8.70193 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 5.52379 5.54325 6.89694 9.10743 5.88491 6.17025 numMergedOcc 0
45 mol 238 unq 3 iso 0 dist 5.64181 11.2717 7.47235 9.38422 5.8041 6.65088 numMergedOcc 0
46 mol 238 unq 4 iso 0 dist 5.64181 5.17471 6.44735 9.38422 5.8041 6.17025 numMergedOcc 0
47 mol 238 unq 5 iso 0 dist 5.64181 5.03393 5.91208 9.38422 5.8041 9.0378 numMergedOcc 0
48 mol 238 unq 6 iso 0 dist 7.61393 14.7509 7.47235 12.8291 5.8041 6.65088 numMergedOcc 0
49 mol 238 unq 7 iso 0 dist 7.61393 10.7999 6.44735 12.8291 5.8041 6.17025 numMergedOcc 0
50 mol 238 unq 8 iso 0 dist 7.61393 5.49433 5.91208 12.8291 5.8041 9.0378 numMergedOcc 0
51 mol 239 unq 0 iso 0 dist 8.67805 10.0774 7.18771 15.8437 10.151 6.34801 numMergedOcc 0
52 mol 272 unq 0 iso 0 dist 9.05222 5.7074 7.35433 7.67853 6.3139 6.75716 numMergedOcc 0
53 mol 282 unq 0 iso 0 dist 8.0241 5.9438 6.353 9.58517 5.86276 6.73692 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 9.13907 6.17102 8.32473 10.1651 8.98519 7.72845 numMergedOcc 0
