0 mol 4 unq 0 iso 0 dist 8.15534 11.5591 4.88114 5.12159 6.12485 9.84838 5.10085 6.66589 7.86036 6.56189 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.15534 11.5591 4.88114 10.7952 9.04027 7.03689 5.10085 6.66589 7.86036 6.22773 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.71324 13.6999 9.3473 10.7791 8.86433 12.8692 7.70414 9.10915 9.82646 14.8927 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.71324 13.6999 9.3473 10.7791 8.86433 12.8692 5.89729 7.02352 9.96083 6.15294 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 9.5663 12.6498 6.08228 12.0987 5.66803 5.88036 7.70414 5.54343 5.33496 5.9853 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.70037 13.7644 8.36667 5.65257 8.70964 11.5923 4.59504 8.24121 14.9981 6.57301 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 7.70037 13.7644 8.36667 5.65257 8.70964 11.5923 6.09189 8.52371 13.689 10.2661 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 7.70037 13.7644 8.36667 5.65257 8.70964 11.5923 9.54683 6.8198 5.23597 8.09841 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 7.96207 4.70213 8.36667 13.133 8.70964 11.5923 15.5565 8.24121 14.9981 6.57301 numMergedOcc 0
9 mol 69 unq 4 iso 0 dist 7.96207 4.70213 8.36667 13.133 8.70964 11.5923 11.3689 8.52371 13.689 10.2661 numMergedOcc 0
10 mol 69 unq 5 iso 0 dist 7.96207 4.70213 8.36667 13.133 8.70964 11.5923 5.47165 6.8198 5.23597 8.09841 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 6.62798 6.32124 9.10245 10.7803 9.90256 5.83874 7.2527 5.26938 5.39287 5.30415 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 6.62798 6.32124 9.10245 10.7803 9.90256 5.83874 12.2598 8.91602 11.6194 11.2095 numMergedOcc 0
13 mol 87 unq 2 iso 0 dist 6.62798 6.32124 9.10245 5.34066 5.63748 7.43534 7.2527 5.26938 5.39287 5.507 numMergedOcc 0
14 mol 87 unq 3 iso 0 dist 6.62798 6.32124 9.10245 5.34066 5.63748 7.43534 12.2598 8.91602 11.6194 7.26523 numMergedOcc 0
15 mol 87 unq 4 iso 0 dist 9.94718 10.9415 9.10245 13.2349 9.90256 5.83874 8.89893 5.26938 5.39287 5.30415 numMergedOcc 0
16 mol 87 unq 5 iso 0 dist 9.94718 10.9415 9.10245 13.2349 9.90256 5.83874 5.64484 8.91602 11.6194 11.2095 numMergedOcc 0
17 mol 87 unq 6 iso 0 dist 9.94718 10.9415 9.10245 5.22028 5.63748 7.43534 8.89893 5.26938 5.39287 5.507 numMergedOcc 0
18 mol 87 unq 7 iso 0 dist 9.94718 10.9415 9.10245 5.22028 5.63748 7.43534 5.64484 8.91602 11.6194 7.26523 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 6.79014 4.97361 9.6874 5.41029 6.54778 4.84565 5.23924 5.97879 8.15877 5.0333 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 5.60195 8.66923 7.86207 5.84371 9.89039 9.09963 12.0174 8.9077 4.90657 13.6952 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 5.60195 8.66923 7.86207 12.9073 8.57174 14.3078 12.0174 8.9077 4.90657 13.8822 numMergedOcc 0
22 mol 220 unq 2 iso 0 dist 7.87359 5.3178 7.86207 4.72275 9.89039 9.09963 9.89208 8.9077 4.90657 13.6952 numMergedOcc 0
23 mol 220 unq 3 iso 0 dist 7.87359 5.3178 7.86207 15.2936 8.57174 14.3078 9.89208 8.9077 4.90657 13.8822 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.46484 8.95567 7.6402 5.81446 7.74348 13.5224 9.62351 9.96011 5.32878 13.0929 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 8.80671 5.98568 7.6402 14.8289 7.74348 13.5224 7.47558 9.96011 5.32878 13.0929 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.49961 13.8894 8.34832 13.284 8.48545 14.2079 17.1024 9.27989 11.4465 13.3838 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 7.16232 10.121 9.174 7.52886 7.26758 10.9643 5.3674 6.40592 4.86437 7.3737 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 8.36611 5.10045 6.41477 8.31476 8.88741 10.1876 5.09075 7.15785 4.50761 6.43209 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 8.36611 5.10045 6.41477 8.31476 8.88741 10.1876 10.5849 9.43169 8.80293 7.78464 numMergedOcc 0
30 mol 261 unq 2 iso 0 dist 9.66298 17.0555 9.70222 6.94755 4.85199 10.6318 6.39263 7.6414 11.544 4.25662 numMergedOcc 0
31 mol 261 unq 3 iso 0 dist 9.66298 17.0555 9.70222 17.3605 9.72159 4.97878 6.39263 7.6414 11.544 12.864 numMergedOcc 0
