0 mol 54 unq 0 iso 0 dist 7.51978 6.11985 6.13476 13.9555 7.21717 9.53962 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 9.9997 6.65154 9.75927 8.24043 6.72639 4.37601 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 9.9997 6.65154 9.75927 11.819 9.34791 9.13935 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 7.47827 7.15993 8.00525 3.98211 9.30539 5.75219 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 7.47827 7.15993 8.00525 6.76611 9.01176 12.8512 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 5.09114 11.2576 8.054 9.32745 8.88537 5.97096 numMergedOcc 0
6 mol 122 unq 1 iso 0 dist 5.09114 11.2576 8.054 10.5529 9.23819 4.4646 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 8.14071 9.30769 6.47346 9.81728 9.36851 10.8332 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 8.14071 9.30769 6.47346 6.95825 4.97175 5.75407 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 6.7319 6.48668 7.39851 8.10288 6.6554 5.55502 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.96824 6.57868 9.50454 4.75774 5.9176 6.15536 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 6.96824 6.57868 9.50454 9.91956 6.41453 14.7795 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 6.96824 8.05561 8.80581 4.75774 5.9176 10.5065 numMergedOcc 0
13 mol 181 unq 3 iso 0 dist 6.96824 8.05561 8.80581 9.91956 6.41453 6.04759 numMergedOcc 0
14 mol 181 unq 4 iso 0 dist 9.25528 6.57868 7.15963 15.4597 8.90963 10.5886 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 5.80867 7.54337 9.98332 6.42799 6.34616 11.5325 numMergedOcc 0
16 mol 198 unq 1 iso 0 dist 9.4363 17.0845 9.98332 10.4394 6.34616 11.5325 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.92766 10.7365 6.20646 15.254 9.68728 11.1093 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 7.92766 14.1382 6.73266 15.254 9.68728 5.39256 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 8.59262 8.99076 7.51923 14.201 7.75885 8.91883 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 6.82185 7.67515 7.22234 10.6201 7.37798 6.51731 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 6.82185 7.67515 7.22234 5.50169 7.73322 12.2528 numMergedOcc 0
22 mol 213 unq 2 iso 0 dist 6.82185 6.97521 5.86501 10.6201 7.37798 4.40169 numMergedOcc 0
23 mol 213 unq 3 iso 0 dist 6.82185 6.97521 5.86501 5.50169 7.73322 9.42696 numMergedOcc 0
24 mol 213 unq 4 iso 0 dist 6.82881 7.67515 8.48081 5.50169 8.14332 12.2528 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 5.81421 10.6585 7.83102 9.59458 6.71375 4.40079 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 7.18433 9.08117 9.12551 11.2038 6.78191 9.83671 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 6.8133 10.1792 8.99442 7.95758 7.83341 8.70711 numMergedOcc 0
