0 mol 4 unq 0 iso 0 dist 8.15534 11.5591 4.88114 5.10085 6.66589 7.86036 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.62634 4.94804 9.31149 5.65481 9.04834 9.14256 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 8.62634 4.94804 9.31149 10.0664 8.17898 7.59626 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 6.56791 6.81855 5.86243 5.45587 7.57586 5.39129 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.71324 13.6999 9.3473 7.70414 9.10915 9.82646 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.71324 13.6999 9.3473 5.89729 7.02352 9.96083 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 9.5663 12.6498 6.08228 7.70414 5.54343 5.33496 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.70037 13.7644 8.36667 4.59504 8.24121 14.9981 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 7.70037 13.7644 8.36667 6.09189 8.52371 13.689 numMergedOcc 0
9 mol 69 unq 2 iso 0 dist 7.70037 13.7644 8.36667 9.54683 6.8198 5.23597 numMergedOcc 0
10 mol 69 unq 3 iso 0 dist 7.96207 4.70213 8.36667 15.5565 8.24121 14.9981 numMergedOcc 0
11 mol 69 unq 4 iso 0 dist 7.96207 4.70213 8.36667 11.3689 8.52371 13.689 numMergedOcc 0
12 mol 69 unq 5 iso 0 dist 7.96207 4.70213 8.36667 5.47165 6.8198 5.23597 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 6.62798 6.32124 9.10245 7.2527 5.26938 5.39287 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 6.62798 6.32124 9.10245 12.2598 8.91602 11.6194 numMergedOcc 0
15 mol 87 unq 2 iso 0 dist 9.94718 10.9415 9.10245 8.89893 5.26938 5.39287 numMergedOcc 0
16 mol 87 unq 3 iso 0 dist 9.94718 10.9415 9.10245 5.64484 8.91602 11.6194 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 6.7095 13.457 8.63522 5.26061 7.48277 10.8684 numMergedOcc 0
18 mol 102 unq 1 iso 0 dist 6.7095 13.457 8.63522 8.90571 9.0361 10.2218 numMergedOcc 0
19 mol 102 unq 2 iso 0 dist 6.7095 10.8385 5.43401 5.26061 7.48277 9.76734 numMergedOcc 0
20 mol 102 unq 3 iso 0 dist 6.7095 10.8385 5.43401 8.90571 9.0361 8.17186 numMergedOcc 0
21 mol 103 unq 0 iso 0 dist 6.88956 10.7167 7.57822 5.88774 7.55805 6.35372 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 6.15949 5.67441 5.31281 6.49725 9.24515 7.18757 numMergedOcc 0
23 mol 114 unq 1 iso 0 dist 6.15949 10.0602 8.9922 6.49725 9.24515 7.13921 numMergedOcc 0
24 mol 114 unq 2 iso 0 dist 6.79014 4.97361 9.6874 5.23924 5.97879 8.15877 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 5.99801 11.7811 9.45817 5.23932 8.03597 11.9053 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 7.53036 8.8592 8.93927 4.22704 5.79186 11.2111 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 5.60195 8.66923 7.86207 12.0174 8.9077 4.90657 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 7.87359 5.3178 7.86207 9.89208 8.9077 4.90657 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 8.76741 10.5773 6.91184 7.39364 6.095 5.0258 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 9.53198 10.3887 7.38609 5.69797 7.93727 6.25956 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 5.46484 8.95567 7.6402 9.62351 9.96011 5.32878 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 8.80671 5.98568 7.6402 7.47558 9.96011 5.32878 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 8.49961 13.8894 8.34832 17.1024 9.27989 11.4465 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 7.16232 10.121 9.174 5.3674 6.40592 4.86437 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 8.36611 5.10045 6.41477 5.09075 7.15785 4.50761 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 8.36611 5.10045 6.41477 10.5849 9.43169 8.80293 numMergedOcc 0
37 mol 261 unq 2 iso 0 dist 9.66298 17.0555 9.70222 6.39263 7.6414 11.544 numMergedOcc 0
