0 mol 10 unq 0 iso 0 dist 8.33546 9.59744 8.12738 8.63915 6.31531 5.8369 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.33546 9.59744 8.12738 9.99655 13.3985 8.06428 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.94728 5.11382 3.94196 4.71974 9.08536 7.61183 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.33902 5.11382 13.466 4.71974 12.2922 7.61183 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.38139 9.07283 3.42062 5.0573 7.99735 7.90416 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.19721 6.51901 3.70802 9.59858 6.30202 7.01397 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 6.84323 6.51901 3.66673 9.59858 10.1974 7.01397 numMergedOcc 0
7 mol 62 unq 2 iso 0 dist 7.24768 9.1926 3.66673 15.1484 10.1974 7.01397 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 9.22609 9.56838 13.469 5.60513 12.731 6.42443 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 7.91009 4.95504 3.3881 4.37412 8.53662 7.02755 numMergedOcc 0
10 mol 81 unq 1 iso 0 dist 4.39121 4.95504 3.93741 4.37412 8.16146 7.02755 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.52742 9.27814 15.6495 16.1344 23.2066 8.00314 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.52742 6.56288 3.81285 4.77114 9.37034 8.67342 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 7.52742 6.56288 3.81285 4.4924 6.60091 5.73739 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 7.52742 5.97559 6.17121 4.77114 9.37034 8.60062 numMergedOcc 0
15 mol 85 unq 4 iso 0 dist 7.52742 5.97559 6.17121 4.4924 6.60091 5.16225 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 5.27541 5.96189 3.99275 6.538 9.1246 7.14241 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 6.21825 8.98043 8.25138 9.04134 13.8196 9.84239 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 6.21825 6.8243 7.10617 9.04134 13.8196 9.1728 numMergedOcc 0
19 mol 176 unq 2 iso 0 dist 6.21825 8.90797 10.5042 9.04134 13.8196 8.0255 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.64578 7.45508 9.1722 7.24465 12.7102 4.44509 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 9.64578 5.79883 11.457 9.84235 11.0694 5.4687 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 7.02833 7.45508 11.2097 7.24465 12.1933 4.44509 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 7.02833 5.79883 6.10489 9.84235 10.118 5.4687 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 9.18565 9.05453 3.86368 9.69803 7.90993 9.39268 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 9.18565 9.05453 3.86368 10.9252 12.6298 9.06888 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 8.63523 6.44588 9.96893 4.33731 8.90069 8.83359 numMergedOcc 0
