0 mol 11 unq 0 iso 0 dist 6.89666 5.25951 9.23212 4.73237 4.61088 7.86896 6.09937 7.28643 9.08736 8.68293 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.89666 5.25951 9.23212 4.73237 4.61088 7.86896 9.94905 9.68636 9.74528 6.84216 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.41493 6.07784 4.68793 5.09229 6.19529 5.72331 11.7208 9.50094 7.7727 13.3842 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.05508 6.07398 9.05547 5.34079 6.85766 6.34748 9.34271 10.1462 8.185 12.3053 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.2377 7.98579 4.24428 4.99283 5.93252 6.58444 10.0651 3.85805 7.02693 9.10566 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 10.869 5.17781 7.02693 11.3218 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 8.78063 6.97941 10.2219 6.46582 3.69293 5.91098 7.61521 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 6.4551 9.6911 7.89214 8.78063 6.97941 7.74851 6.46582 3.69293 4.86523 7.61521 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.42513 5.88232 8.62711 8.60326 9.30299 10.345 12.2873 3.97136 9.64136 12.4738 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 11.3469 5.99315 5.11989 10.5624 6.75249 5.33772 8.64905 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 9.94315 15.8036 7.98022 12.521 5.72887 6.3873 19.7168 9.79922 8.62485 9.76893 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 9.94315 15.8036 7.98022 12.521 5.72887 6.3873 18.0839 8.38175 9.37688 10.6273 numMergedOcc 0
12 mol 238 unq 2 iso 0 dist 8.59074 12.1988 7.98022 9.18011 5.72887 6.3873 17.6491 9.79922 8.62485 9.76893 numMergedOcc 0
13 mol 238 unq 3 iso 0 dist 8.59074 12.1988 7.98022 9.18011 5.72887 6.3873 16.8089 8.38175 9.37688 10.6273 numMergedOcc 0
14 mol 238 unq 4 iso 0 dist 6.2365 6.12122 7.98022 4.7157 5.72887 6.3873 12.6784 9.79922 8.62485 9.76893 numMergedOcc 0
15 mol 238 unq 5 iso 0 dist 6.2365 6.12122 7.98022 4.7157 5.72887 6.3873 12.6352 8.38175 9.37688 10.6273 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 5.89502 7.60327 8.53729 9.25001 9.02271 16.1265 11.0717 9.46115 6.93942 17.1121 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 5.89502 7.60327 8.53729 9.25001 9.02271 16.1265 13.2746 10.3603 9.05161 18.3798 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 5.89502 9.90493 8.07341 9.25001 9.02271 16.581 11.0717 9.46115 9.31626 17.1121 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 5.89502 9.90493 8.07341 9.25001 9.02271 16.581 13.2746 10.3603 9.77366 18.3798 numMergedOcc 0
20 mol 253 unq 4 iso 0 dist 7.15815 13.127 8.53729 4.93871 9.02271 16.1265 13.0422 9.46115 6.93942 17.1121 numMergedOcc 0
21 mol 253 unq 5 iso 0 dist 7.15815 13.127 8.53729 4.93871 9.02271 16.1265 14.6232 10.3603 9.05161 18.3798 numMergedOcc 0
22 mol 253 unq 6 iso 0 dist 7.15815 14.7487 8.07341 4.93871 9.02271 16.581 13.0422 9.46115 9.31626 17.1121 numMergedOcc 0
23 mol 253 unq 7 iso 0 dist 7.15815 14.7487 8.07341 4.93871 9.02271 16.581 14.6232 10.3603 9.77366 18.3798 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 9.772 9.91968 7.54805 5.75478 8.4218 12.5953 9.81436 5.94366 6.18698 10.2644 numMergedOcc 0
