0 mol 21 unq 0 iso 0 dist 5.27589 8.06022 11.3369 9.07166 8.85347 16.9519 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.34433 9.57204 15.8406 9.30759 9.58938 16.915 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.32436 6.53191 9.80109 5.40129 8.62769 5.38191 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.28075 9.92545 6.55138 5.63684 6.46655 6.48625 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.70037 9.2309 7.48749 4.59504 8.24121 9.74996 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 7.70037 9.2309 7.48749 6.09189 8.52371 8.21667 numMergedOcc 0
6 mol 69 unq 2 iso 0 dist 7.70037 9.2309 7.48749 9.54683 6.8198 13.047 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.30129 7.38908 5.99078 10.76 9.29323 14.0784 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 8.21588 6.90483 5.6513 7.2527 9.1329 11.5541 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 8.21588 6.90483 5.6513 7.55603 9.33217 10.417 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 8.21588 6.90483 5.6513 12.2598 9.03114 14.0915 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 8.21588 7.67411 6.69874 7.2527 9.1329 8.50159 numMergedOcc 0
12 mol 87 unq 4 iso 0 dist 8.21588 7.67411 6.69874 7.55603 9.33217 13.3168 numMergedOcc 0
13 mol 87 unq 5 iso 0 dist 8.21588 7.67411 6.69874 12.2598 9.03114 12.4093 numMergedOcc 0
14 mol 87 unq 6 iso 0 dist 6.62798 6.90483 7.41574 7.2527 5.26938 11.5541 numMergedOcc 0
15 mol 87 unq 7 iso 0 dist 6.62798 6.90483 7.41574 12.2598 8.91602 14.0915 numMergedOcc 0
16 mol 87 unq 8 iso 0 dist 6.62798 7.67411 3.66319 7.2527 5.26938 8.50159 numMergedOcc 0
17 mol 87 unq 9 iso 0 dist 6.62798 7.67411 3.66319 12.2598 8.91602 12.4093 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 6.7095 8.63253 11.7098 5.26061 7.48277 12.9236 numMergedOcc 0
19 mol 102 unq 1 iso 0 dist 6.7095 8.63253 11.7098 8.90571 9.0361 9.01767 numMergedOcc 0
20 mol 102 unq 2 iso 0 dist 6.7095 5.15752 5.51997 5.26061 7.48277 9.43411 numMergedOcc 0
21 mol 102 unq 3 iso 0 dist 6.7095 5.15752 5.51997 8.90571 9.0361 9.80678 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 7.01323 9.69499 4.79819 9.80923 8.36882 11.7711 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 7.10839 8.32453 7.13388 4.9475 8.90592 5.46922 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 7.58683 5.25485 4.81215 9.28974 9.18691 5.46922 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.40313 9.76509 9.21526 6.89327 8.32829 13.1438 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 8.76741 7.60093 11.1791 7.39364 6.095 9.18675 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 7.10623 7.35566 6.3257 5.93705 9.92027 11.3014 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 8.36611 7.85381 6.13416 5.09075 7.15785 9.62828 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 8.36611 7.85381 6.13416 10.5849 9.43169 13.3636 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 7.29081 8.24507 4.62586 12.0564 6.54753 8.90885 numMergedOcc 0
