0 mol 27 unq 0 iso 0 dist 8.05628 10.2378 9.29273 15.9439 10.9668 8.71752 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 4.98509 9.05396 8.0991 7.57144 3.85603 9.33027 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 4.98509 9.05396 8.0991 9.26855 4.42374 8.2946 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 4.98509 9.98702 8.80175 7.57144 3.85603 7.32707 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 4.98509 9.98702 8.80175 9.26855 4.42374 9.25346 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 4.98509 7.12079 8.61637 7.57144 3.85603 7.90574 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 8.91193 9.05396 9.95093 7.57144 7.03719 9.33027 numMergedOcc 0
7 mol 34 unq 6 iso 0 dist 8.91193 9.05396 9.95093 9.26855 3.69607 8.2946 numMergedOcc 0
8 mol 34 unq 7 iso 0 dist 9.76633 16.0528 8.0991 10.9625 3.85603 9.33027 numMergedOcc 0
9 mol 34 unq 8 iso 0 dist 9.76633 16.0528 8.0991 13.8933 4.42374 8.2946 numMergedOcc 0
10 mol 34 unq 9 iso 0 dist 9.76633 15.2592 8.80175 10.9625 3.85603 7.32707 numMergedOcc 0
11 mol 34 unq 10 iso 0 dist 9.76633 15.2592 8.80175 13.8933 4.42374 9.25346 numMergedOcc 0
12 mol 34 unq 11 iso 0 dist 9.76633 10.8538 8.61637 10.9625 3.85603 7.90574 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 9.05694 6.04522 6.28603 12.8514 7.13338 7.34031 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 8.69081 6.14836 5.73454 12.9291 7.08546 7.281 numMergedOcc 0
15 mol 135 unq 0 iso 0 dist 8.62814 5.14857 8.72359 11.3799 5.16099 9.15377 numMergedOcc 0
16 mol 135 unq 1 iso 0 dist 8.78439 8.53327 7.02963 17.528 12.1938 9.15377 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 7.93917 10.8621 6.12453 14.0892 7.8982 7.60254 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.19329 9.21613 9.20617 12.972 10.4087 5.95304 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 8.98606 13.3059 5.12964 17.4511 9.74321 9.75763 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 8.98606 13.3059 5.12964 10.3501 5.06572 7.0685 numMergedOcc 0
21 mol 184 unq 2 iso 0 dist 8.98606 13.3059 5.12964 11.7115 3.88336 6.44904 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.51947 5.98082 8.2241 11.2756 6.54455 8.97471 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 9.69133 5.39184 9.78273 9.00007 12.899 7.17337 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 8.54286 12.1185 9.25035 10.6177 3.70231 6.28538 numMergedOcc 0
25 mol 254 unq 0 iso 0 dist 5.0346 12.741 9.50951 9.1021 5.67608 8.94909 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 8.5948 5.62662 9.81919 8.41674 9.83412 8.68913 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.48076 5.10104 6.23115 6.73204 6.50127 6.43034 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.04081 12.5127 6.23115 13.4026 6.50127 6.43034 numMergedOcc 0
