0 mol 32 unq 0 iso 0 dist 8.65462 6.15129 5.03226 7.38892 13.2171 8.89682 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.87569 8.52059 12.3258 10.6296 16.6417 6.86785 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 8.87569 9.99694 8.93994 11.2457 10.3486 9.67023 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.76383 8.99189 10.3722 14.9018 13.7935 7.71596 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 4.3761 8.01128 10.9027 11.3093 12.2487 6.2491 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 4.3761 8.01128 10.9027 6.41542 8.04448 3.59451 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.84583 8.01128 10.6397 11.3093 14.5912 6.2491 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 5.84583 8.01128 10.6397 6.41542 10.6866 3.59451 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.65586 6.00241 6.7038 7.93639 10.722 9.61113 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 8.65586 6.00241 6.7038 9.47676 14.3552 7.73836 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.63152 9.73488 12.698 4.42019 11.4409 9.40544 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 9.05913 9.73488 6.77964 4.42019 11.2895 9.40544 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.65601 9.99021 7.69346 13.9919 9.26812 8.86377 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 6.33325 8.26428 7.69346 3.72291 9.26812 8.86377 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 5.78414 9.99021 10.5619 13.9919 17.1809 8.86377 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.39622 9.43816 9.45075 3.77738 8.52322 8.40343 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 9.53923 8.93728 6.9812 8.63899 11.7701 7.757 numMergedOcc 0
17 mol 209 unq 1 iso 0 dist 9.53923 8.93728 6.9812 6.61665 9.39076 9.56015 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.15743 7.38809 8.47021 6.24164 12.3264 7.33708 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 8.15743 7.38809 8.47021 6.92292 8.21479 4.46314 numMergedOcc 0
20 mol 251 unq 0 iso 0 dist 8.3966 9.52898 11.9833 6.9737 9.77991 8.20341 numMergedOcc 0
21 mol 251 unq 1 iso 0 dist 8.3966 5.84458 8.59586 6.9737 9.77991 8.65547 numMergedOcc 0
22 mol 251 unq 2 iso 0 dist 5.34851 8.96097 8.59586 6.23286 9.77991 8.65547 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 9.1165 9.85279 4.52473 11.5301 11.8182 9.35766 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 9.44043 9.41308 5.62491 6.69333 5.53473 9.26487 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 5.3435 6.6688 5.62491 8.08381 5.53473 9.26487 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 4.76689 7.246 8.55761 6.0591 10.5291 9.05149 numMergedOcc 0
27 mol 260 unq 1 iso 0 dist 4.76689 7.246 8.55761 5.42082 6.23198 8.3298 numMergedOcc 0
28 mol 260 unq 2 iso 0 dist 7.26455 7.246 5.33348 6.0591 11.2048 9.05149 numMergedOcc 0
29 mol 260 unq 3 iso 0 dist 7.26455 7.246 5.33348 5.42082 8.82216 8.3298 numMergedOcc 0
