0 mol 68 unq 0 iso 0 dist 7.41911 6.31365 4.39888 5.08329 5.29595 3.20411 numMergedOcc 0
1 mol 68 unq 0 iso 1 dist 7.41911 5.08329 5.29595 6.31365 4.39888 3.20411 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.31455 5.74636 4.39888 8.30034 5.29595 3.20411 numMergedOcc 0
3 mol 68 unq 1 iso 1 dist 9.31455 8.30034 5.29595 5.74636 4.39888 3.20411 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 8.08277 10.4644 6.50622 7.38398 4.45433 3.46822 numMergedOcc 0
5 mol 78 unq 0 iso 1 dist 8.08277 7.38398 4.45433 10.4644 6.50622 3.46822 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 8.36163 7.82494 5.78626 5.34159 4.68068 3.19759 numMergedOcc 0
7 mol 158 unq 0 iso 1 dist 8.36163 5.34159 4.68068 7.82494 5.78626 3.19759 numMergedOcc 0
8 mol 158 unq 1 iso 0 dist 9.62348 7.10452 5.78626 5.68454 4.68068 3.19759 numMergedOcc 0
9 mol 158 unq 1 iso 1 dist 9.62348 5.68454 4.68068 7.10452 5.78626 3.19759 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.64406 5.90279 9.511 5.89275 7.72354 3.67493 numMergedOcc 0
11 mol 184 unq 0 iso 1 dist 8.64406 5.89275 7.72354 5.90279 9.511 3.67493 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.20806 9.25561 9.08818 8.62184 7.93563 11.7842 numMergedOcc 0
13 mol 186 unq 0 iso 1 dist 6.20806 8.62184 7.93563 9.25561 9.08818 11.7842 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.20806 9.25561 9.08818 7.75953 5.70056 7.59605 numMergedOcc 0
15 mol 186 unq 1 iso 1 dist 6.20806 7.75953 5.70056 9.25561 9.08818 7.59605 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 6.20806 8.62184 7.93563 7.75953 5.70056 4.62459 numMergedOcc 0
17 mol 186 unq 1 iso 1 dist 6.20806 7.75953 5.70056 8.62184 7.93563 4.62459 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 9.05104 3.61824 8.24401 6.10526 8.44543 5.00013 numMergedOcc 0
19 mol 253 unq 0 iso 1 dist 9.05104 6.10526 8.44543 3.61824 8.24401 5.00013 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 8.04439 12.246 8.90276 7.08565 8.15409 5.95255 numMergedOcc 0
21 mol 274 unq 0 iso 1 dist 8.04439 7.08565 8.15409 12.246 8.90276 5.95255 numMergedOcc 0
22 mol 276 unq 0 iso 0 dist 7.76689 6.79594 9.33041 12.2619 8.7117 9.04019 numMergedOcc 0
23 mol 276 unq 0 iso 1 dist 7.76689 12.2619 8.7117 6.79594 9.33041 9.04019 numMergedOcc 0
24 mol 276 unq 1 iso 0 dist 7.41473 14.3629 9.33041 8.11155 8.7117 9.04019 numMergedOcc 0
25 mol 276 unq 1 iso 1 dist 7.41473 8.11155 8.7117 14.3629 9.33041 9.04019 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.50964 16.2428 9.2144 13.9198 8.36585 4.68872 numMergedOcc 0
27 mol 287 unq 0 iso 1 dist 8.50964 13.9198 8.36585 16.2428 9.2144 4.68872 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 8.50964 16.2428 9.2144 13.9198 8.36585 4.68872 numMergedOcc 0
29 mol 288 unq 0 iso 1 dist 8.50964 13.9198 8.36585 16.2428 9.2144 4.68872 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 8.50964 16.2428 9.2144 13.9198 8.36585 4.68872 numMergedOcc 0
31 mol 289 unq 0 iso 1 dist 8.50964 13.9198 8.36585 16.2428 9.2144 4.68872 numMergedOcc 0
