0 mol 25 unq 0 iso 0 dist 8.58806 9.58408 9.04546 7.03345 12.5434 10.9517 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.58806 9.58408 9.04546 5.2296 9.57167 6.07834 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 6.53312 9.04621 9.1051 7.61643 8.84112 15.7682 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 5.9948 6.75443 9.06486 8.85208 8.84112 13.1749 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 5.9948 6.75443 9.06486 9.04974 4.31273 9.39491 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 5.9948 9.02508 12.9129 8.85208 8.84112 17.8219 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 5.9948 9.02508 12.9129 9.04974 4.31273 13.3085 numMergedOcc 0
7 mol 28 unq 5 iso 0 dist 5.9948 8.44081 9.1051 8.85208 8.84112 15.7682 numMergedOcc 0
8 mol 28 unq 6 iso 0 dist 5.9948 8.44081 9.1051 9.04974 4.31273 9.64016 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.71591 7.15006 6.13346 9.05293 4.25306 5.46484 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 4.3761 3.90209 8.19607 7.40481 6.38409 10.386 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.84583 3.90209 4.67787 7.40481 12.4885 10.386 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.08937 5.72842 10.1337 9.25746 6.24215 7.2371 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 7.7195 6.01062 9.44471 7.38306 14.8177 8.33568 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 7.7195 8.63202 12.1824 7.38306 14.8177 9.88447 numMergedOcc 0
15 mol 171 unq 2 iso 0 dist 9.43988 6.01062 10.1365 7.38306 4.63854 8.33568 numMergedOcc 0
16 mol 171 unq 3 iso 0 dist 9.43988 8.63202 7.47696 7.38306 4.63854 9.88447 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.02212 9.41747 10.161 9.96128 5.41356 8.02909 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.02212 9.41747 10.161 6.69338 4.87986 12.357 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 6.02401 6.07688 6.05671 4.85533 4.36851 8.39486 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 8.73545 7.67027 15.6432 5.9677 8.98176 8.47654 numMergedOcc 0
21 mol 233 unq 1 iso 0 dist 8.14581 7.67027 10.9337 5.9677 9.65009 8.47654 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 6.5095 8.90779 3.69457 6.77411 5.58254 6.20372 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 5.1766 8.90779 9.10714 6.77411 10.2776 6.20372 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 5.3435 7.77703 7.55927 9.64956 13.8539 11.9007 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 6.38051 8.85233 5.43452 9.21126 5.53215 8.16859 numMergedOcc 0
26 mol 292 unq 1 iso 0 dist 6.38051 7.06322 8.10713 9.21126 5.53215 5.82472 numMergedOcc 0
