0 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 5.20935 6.64582 6.81066 7.15287 13.8674 8.41585 10.6 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 7.95419 9.06397 5.27155 6.45116 8.75732 11.4966 12.8917 13.9156 9.0709 16.5667 numMergedOcc 0
2 mol 51 unq 1 iso 0 dist 7.95419 9.06397 5.27155 8.65732 6.01366 8.86826 12.8917 13.9156 9.0709 15.5667 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 11.3097 6.03038 20.027 6.89762 11.5472 6.45675 17.0887 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 6.60356 9.57498 14.3495 10.0584 9.21675 18.0479 6.89762 11.5472 6.45675 12.3721 numMergedOcc 0
5 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 7.8384 6.24096 10.2436 5.73338 10.7272 5.6234 12.4148 numMergedOcc 0
6 mol 175 unq 1 iso 0 dist 8.6609 6.73365 6.15969 7.8384 6.24096 10.2436 12.753 14.7648 9.92231 17.7615 numMergedOcc 0
7 mol 175 unq 2 iso 0 dist 8.6609 9.45659 11.0866 7.8384 6.24096 14.8913 5.73338 10.7272 6.57069 12.4148 numMergedOcc 0
8 mol 175 unq 3 iso 0 dist 6.21546 6.73365 5.50014 7.8384 8.9395 10.2436 5.73338 8.69888 5.6234 12.4148 numMergedOcc 0
9 mol 175 unq 4 iso 0 dist 6.21546 6.73365 5.50014 7.8384 8.9395 10.2436 12.753 14.9263 9.92231 17.7615 numMergedOcc 0
10 mol 175 unq 5 iso 0 dist 6.21546 9.45659 7.39186 7.8384 8.9395 14.8913 5.73338 8.69888 6.57069 12.4148 numMergedOcc 0
11 mol 175 unq 6 iso 0 dist 6.03184 6.73365 7.28617 7.64428 9.25721 13.3663 5.73338 5.08206 5.6234 9.04495 numMergedOcc 0
12 mol 175 unq 7 iso 0 dist 6.03184 6.73365 7.28617 7.64428 9.25721 13.3663 12.753 11.7895 9.92231 14.6587 numMergedOcc 0
13 mol 175 unq 8 iso 0 dist 6.03184 9.45659 5.77256 7.64428 9.25721 14.4011 5.73338 5.08206 6.57069 9.04495 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 10.6912 8.78286 13.451 13.3929 9.67457 6.18308 17.8124 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 15.1716 8.78286 13.451 12.3088 9.67457 6.18308 17.8124 numMergedOcc 0
16 mol 223 unq 0 iso 0 dist 9.29204 9.94212 18.385 7.62322 9.5824 15.6151 11.4946 18.8401 8.77153 12.3231 numMergedOcc 0
17 mol 223 unq 1 iso 0 dist 9.29204 9.94212 18.385 7.62322 9.5824 15.6151 13.1422 22.2602 8.6166 16.0404 numMergedOcc 0
18 mol 223 unq 2 iso 0 dist 9.14789 9.94212 19.0281 7.62322 8.82318 15.6151 11.4946 19.381 8.77153 12.3231 numMergedOcc 0
19 mol 223 unq 3 iso 0 dist 9.14789 9.94212 19.0281 7.62322 8.82318 15.6151 13.1422 21.4312 8.6166 16.0404 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 8.36396 8.0007 11.2438 8.08105 6.54801 9.68456 5.29674 12.1937 9.87838 8.88968 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 12.1307 7.94491 11.5243 10.908 6.77279 8.13497 4.51538 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.1307 7.94491 11.5243 12.7595 9.58006 7.88519 9.08426 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 8.93055 9.17214 11.8463 6.5875 10.2386 8.02547 11.6095 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 6.41477 9.43169 8.80293 8.93055 9.17214 12.1837 6.5875 10.2386 6.05727 11.6095 numMergedOcc 0
25 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 6.54168 8.69145 10.4729 9.67023 5.67266 8.76532 10.3469 numMergedOcc 0
26 mol 282 unq 1 iso 0 dist 7.93511 9.51581 5.04235 6.54168 8.69145 12.7604 9.67023 5.67266 6.33524 10.3469 numMergedOcc 0
