0 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 5.42714 7.99631 6.34759 9.02908 8.0168 6.63111 6.04071 numMergedOcc 0
1 mol 115 unq 1 iso 0 dist 5.43229 5.98221 7.76729 10.4008 6.40036 10.2377 9.02908 8.0168 6.63111 5.65471 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 9.59094 11.0811 7.92688 15.9809 9.94276 11.8989 13.2035 9.10003 14.8533 7.789 numMergedOcc 0
3 mol 133 unq 1 iso 0 dist 9.59094 11.0811 7.92688 16.8354 9.05357 15.0734 13.2035 9.10003 14.8533 6.11311 numMergedOcc 0
4 mol 133 unq 2 iso 0 dist 9.59094 11.0811 7.92688 9.0998 5.99299 9.58627 13.2035 9.10003 14.8533 5.74928 numMergedOcc 0
5 mol 213 unq 0 iso 0 dist 6.38872 7.17515 8.45368 11.3402 8.74171 11.1059 5.36933 5.461 4.72944 7.09198 numMergedOcc 0
6 mol 213 unq 1 iso 0 dist 6.38872 7.18317 9.59129 11.3402 8.74171 12.2579 5.36933 5.461 10.1881 7.09198 numMergedOcc 0
7 mol 218 unq 0 iso 0 dist 5.66171 12.0404 7.17547 11.8596 8.57853 4.54272 6.27279 8.61306 15.6802 16.2592 numMergedOcc 0
8 mol 218 unq 1 iso 0 dist 5.66171 12.0404 7.17547 5.5349 6.75035 10.2673 6.27279 8.61306 15.6802 10.1772 numMergedOcc 0
9 mol 218 unq 2 iso 0 dist 5.66171 7.82717 7.13323 11.8596 8.57853 6.8949 6.27279 8.61306 13.7327 16.2592 numMergedOcc 0
10 mol 218 unq 3 iso 0 dist 5.66171 7.82717 7.13323 5.5349 6.75035 6.60235 6.27279 8.61306 13.7327 10.1772 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 6.31342 6.9955 5.50387 14.3602 8.75834 10.7506 4.94099 5.93063 4.7456 11.3004 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 6.31342 6.9955 5.50387 10.1591 9.36396 7.12954 4.94099 5.93063 4.7456 11.0634 numMergedOcc 0
13 mol 228 unq 0 iso 0 dist 9.79291 11.2222 9.06121 6.50793 7.09766 4.75417 14.2513 8.66946 9.80263 10.268 numMergedOcc 0
14 mol 228 unq 1 iso 0 dist 9.79291 11.2222 9.06121 6.50793 7.09766 4.75417 11.0879 8.55761 4.63053 5.73271 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 5.34745 11.2101 9.43203 9.82235 9.2911 4.53103 6.49444 8.24424 8.59528 9.35904 numMergedOcc 0
16 mol 233 unq 1 iso 0 dist 5.34745 11.2101 9.43203 9.82235 9.2911 4.53103 6.63339 7.0942 5.43315 5.88701 numMergedOcc 0
17 mol 233 unq 2 iso 0 dist 5.34745 11.2101 9.43203 9.82235 9.2911 4.53103 9.86764 6.01775 6.8325 9.59241 numMergedOcc 0
18 mol 233 unq 3 iso 0 dist 7.99897 11.5105 9.43203 14.1121 9.2911 4.53103 9.1334 8.24424 8.59528 9.35904 numMergedOcc 0
19 mol 233 unq 4 iso 0 dist 7.99897 11.5105 9.43203 14.1121 9.2911 4.53103 9.81222 7.0942 5.43315 5.88701 numMergedOcc 0
20 mol 233 unq 5 iso 0 dist 7.99897 11.5105 9.43203 14.1121 9.2911 4.53103 5.17683 6.01775 6.8325 9.59241 numMergedOcc 0
21 mol 233 unq 6 iso 0 dist 8.98366 6.54297 9.43203 4.37624 9.2911 4.53103 12.3327 8.24424 8.59528 9.35904 numMergedOcc 0
22 mol 233 unq 7 iso 0 dist 8.98366 6.54297 9.43203 4.37624 9.2911 4.53103 8.89879 7.0942 5.43315 5.88701 numMergedOcc 0
23 mol 233 unq 8 iso 0 dist 8.98366 6.54297 9.43203 4.37624 9.2911 4.53103 9.7363 6.01775 6.8325 9.59241 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 9.68695 8.49841 5.9221 16.363 9.11572 13.1872 11.8229 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.07397 14.2669 7.67322 6.0873 6.5772 8.82861 13.4501 7.39547 5.71717 9.79637 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 8.91763 12.0885 7.67322 14.6519 6.5772 8.82861 8.28104 7.39547 5.71717 9.79637 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 6.27189 9.92738 7.67853 5.34124 6.75716 5.7074 13.4399 8.84523 5.12237 10.2399 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 6.27189 9.92738 7.67853 5.34124 6.75716 5.7074 5.87335 6.95241 5.41667 3.9539 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 8.38395 6.45522 9.19234 15.7916 8.49866 14.168 11.3961 6.66172 8.87855 5.70568 numMergedOcc 0
