0 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 5.20935 6.64582 6.81066 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 7.95419 9.06397 5.27155 6.45116 8.75732 11.4966 numMergedOcc 0
2 mol 51 unq 1 iso 0 dist 7.95419 9.06397 5.27155 8.65732 6.01366 8.86826 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.57385 8.72971 8.45559 5.9762 4.32161 8.99376 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 8.57385 8.72971 8.45559 4.8101 7.34465 7.37948 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 11.3097 6.03038 20.027 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 6.60356 9.57498 14.3495 10.0584 9.21675 18.0479 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 8.48435 8.41848 5.35462 5.82731 7.33646 6.54744 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.60912 8.55431 8.50143 4.72814 7.2108 6.32159 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 7.8384 6.24096 10.2436 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 8.6609 9.45659 11.0866 7.8384 6.24096 14.8913 numMergedOcc 0
11 mol 175 unq 2 iso 0 dist 8.6609 9.44856 13.5907 7.8384 6.24096 15.2604 numMergedOcc 0
12 mol 175 unq 3 iso 0 dist 6.21546 6.73365 5.50014 7.8384 8.9395 10.2436 numMergedOcc 0
13 mol 175 unq 4 iso 0 dist 6.21546 9.45659 7.39186 7.8384 8.9395 14.8913 numMergedOcc 0
14 mol 175 unq 5 iso 0 dist 6.21546 9.44856 7.05768 7.8384 8.9395 15.2604 numMergedOcc 0
15 mol 175 unq 6 iso 0 dist 6.03184 6.73365 7.28617 7.64428 9.25721 13.3663 numMergedOcc 0
16 mol 175 unq 7 iso 0 dist 6.03184 9.45659 5.77256 7.64428 9.25721 14.4011 numMergedOcc 0
17 mol 175 unq 8 iso 0 dist 6.03184 9.44856 4.96871 7.64428 9.25721 13.2444 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 4.51269 9.19263 5.12592 4.91317 5.71819 9.62822 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 7.65323 9.19263 7.40413 4.91317 8.48679 9.62822 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 10.6912 8.78286 13.451 numMergedOcc 0
21 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 15.1716 8.78286 13.451 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 13.2303 5.10016 7.06087 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 9.86417 9.88212 9.38348 8.50846 9.27398 6.48765 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 5.39853 6.65093 7.68645 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 4.67452 7.24832 5.48556 5.39853 6.65093 5.75017 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 3.96711 9.57951 10.433 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 7.35148 7.29796 5.23846 3.96711 9.57951 9.79808 numMergedOcc 0
28 mol 220 unq 2 iso 0 dist 7.57716 9.85951 9.86723 8.9233 9.17067 16.1227 numMergedOcc 0
29 mol 223 unq 0 iso 0 dist 9.29204 9.94212 18.385 7.62322 9.5824 15.6151 numMergedOcc 0
30 mol 223 unq 1 iso 0 dist 9.29204 7.34316 8.16187 7.62322 9.5824 10.4086 numMergedOcc 0
31 mol 223 unq 2 iso 0 dist 9.14789 9.94212 19.0281 7.62322 8.82318 15.6151 numMergedOcc 0
32 mol 223 unq 3 iso 0 dist 9.14789 7.34316 11.2364 7.62322 8.82318 10.4086 numMergedOcc 0
33 mol 229 unq 0 iso 0 dist 8.36396 8.0007 11.2438 8.08105 6.54801 9.68456 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 12.1307 7.94491 11.5243 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 8.93055 9.17214 11.8463 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 6.41477 9.43169 8.80293 8.93055 9.17214 12.1837 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 6.7897 9.48968 5.71767 8.71561 9.55134 6.49441 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 6.54168 8.69145 10.4729 numMergedOcc 0
39 mol 282 unq 1 iso 0 dist 7.93511 9.51581 5.04235 6.54168 8.69145 12.7604 numMergedOcc 0
