0 mol 32 unq 0 iso 0 dist 6.86352 3.91563 7.48994 4.63894 5.78231 5.33785 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 8.5448 6.78305 7.48994 3.24351 5.78231 5.33785 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.77613 4.33564 6.887 4.61111 7.68019 3.41186 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.45469 7.42892 8.09973 3.89181 6.58981 3.73834 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.94646 10.2987 8.7452 7.99635 9.86131 3.48199 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.94646 10.2987 8.7452 6.27386 6.75985 5.73949 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 9.94646 4.9889 9.15081 7.99635 9.86131 4.0452 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 9.94646 4.9889 9.15081 6.27386 6.75985 3.12382 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.24764 10.6609 6.24296 10.8634 8.15861 3.65186 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.24764 10.6609 6.24296 11.7351 9.27814 14.6387 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 6.24764 11.2518 6.83218 10.8634 8.15861 7.00044 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 6.24764 11.2518 6.83218 11.7351 9.27814 15.2529 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.11791 3.91176 9.61144 7.8377 8.65162 8.74506 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.11791 6.02121 6.13521 7.8377 8.65162 3.70642 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.98691 5.9335 8.0675 13.5194 9.98215 15.2673 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 6.98104 7.44479 5.20001 10.2106 5.94465 9.7683 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 5.51129 3.82645 8.4375 8.90391 8.42277 12.5711 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 5.51129 3.82645 8.4375 5.85476 6.26653 9.49478 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 5.51129 5.75588 8.62413 8.90391 8.42277 12.7725 numMergedOcc 0
19 mol 129 unq 3 iso 0 dist 5.51129 5.75588 8.62413 5.85476 6.26653 10.2785 numMergedOcc 0
20 mol 129 unq 4 iso 0 dist 5.51129 4.18263 6.93102 8.90391 8.42277 9.39617 numMergedOcc 0
21 mol 129 unq 5 iso 0 dist 5.51129 4.18263 6.93102 5.85476 6.26653 6.48525 numMergedOcc 0
22 mol 146 unq 0 iso 0 dist 8.64781 13.2008 6.76896 5.64529 8.91908 14.9518 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 5.00508 4.16857 6.58055 5.9338 7.45508 3.13463 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 5.00508 4.16857 6.58055 8.28284 5.79883 11.0087 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 8.62338 14.1553 9.98518 7.52677 8.15636 16.9188 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 8.62338 14.1553 9.98518 9.46641 7.86292 12.935 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 8.62338 14.1553 9.98518 7.52677 8.15636 16.9188 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 8.62338 14.1553 9.98518 9.46641 7.86292 12.935 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 8.62338 14.1553 9.98518 7.52677 8.15636 16.9188 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 8.62338 14.1553 9.98518 9.46641 7.86292 12.935 numMergedOcc 0
