0 mol 9 unq 0 iso 0 dist 9.93613 5.99711 12.2907 9.03359 8.04924 11.1419 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.99711 9.93613 12.2907 4.46001 7.25684 14.0657 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 5.99711 9.93613 12.2907 11.6572 8.22285 18.6606 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.85591 7.53604 8.38228 5.88467 9.25649 10.9263 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.85591 9.67576 9.69957 5.88467 9.25649 9.36104 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.67576 7.53604 6.46721 5.88467 9.36104 10.9263 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 9.67576 8.85591 9.69957 5.88467 9.36104 9.25649 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 8.67545 7.23173 12.0641 6.82169 6.48531 13.3767 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 7.49024 6.4416 6.32326 8.80709 9.89462 11.7916 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 7.39532 6.62468 11.074 6.53156 6.42785 6.82089 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 6.62468 7.39532 11.074 6.53156 6.82089 6.42785 numMergedOcc 0
11 mol 130 unq 2 iso 0 dist 6.62468 7.39532 11.074 4.72188 5.38314 10.3718 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.19335 8.5076 7.27688 10.2495 7.59814 9.7775 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.5076 9.19335 7.27688 4.49984 8.07135 11.9278 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.5076 9.19335 7.27688 10.2495 9.7775 7.59814 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 8.73523 7.85653 10.6588 6.63467 8.06396 8.01587 numMergedOcc 0
16 mol 140 unq 1 iso 0 dist 8.73523 7.5639 10.2925 6.63467 8.06396 10.9152 numMergedOcc 0
17 mol 140 unq 2 iso 0 dist 7.85653 8.73523 10.6588 6.63467 8.01587 8.06396 numMergedOcc 0
18 mol 140 unq 3 iso 0 dist 7.85653 7.5639 5.19894 6.63467 8.01587 10.9152 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 9.90625 9.91132 12.3323 8.34466 7.13269 15.6695 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 9.3832 8.76152 17.0602 14.7696 8.21476 22.984 numMergedOcc 0
21 mol 163 unq 1 iso 0 dist 9.3832 8.76152 17.0602 9.55472 7.66897 18.1836 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.12296 8.4673 8.63478 10.3187 7.01126 14.4251 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 5.22349 9.81593 8.15279 7.31906 6.57207 5.2361 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 9.81593 5.22349 8.15279 7.31906 5.2361 6.57207 numMergedOcc 0
25 mol 252 unq 2 iso 0 dist 9.81593 5.22349 8.15279 12.2338 5.57515 12.0339 numMergedOcc 0
26 mol 252 unq 3 iso 0 dist 9.81593 5.22349 8.15279 14.2535 8.28694 15.1632 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 8.62966 8.60979 5.67353 6.83359 6.45328 10.5479 numMergedOcc 0
