0 mol 1 unq 0 iso 0 dist 5.87976 9.48433 6.35409 5.84337 6.4181 10.488 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.50539 6.34277 5.8503 10.0986 8.40051 11.9561 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.50539 6.34277 5.8503 5.55893 8.6396 5.04899 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.83402 8.46842 5.59268 14.4516 8.88413 7.17969 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.83402 8.46842 5.59268 13.2677 9.87281 12.4135 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.83402 8.46842 5.59268 13.7276 7.63928 11.6743 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 4.76012 6.1421 6.43966 8.48942 6.38163 10.1333 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 7.69184 6.31125 6.85062 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 7.56833 7.49404 5.6098 7.91807 6.31125 8.40312 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.22824 7.31419 5.73965 8.04019 9.60369 12.9594 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.22824 7.31419 5.73965 11.4517 9.55556 14.0375 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 8.30819 8.68992 10.5731 10.3893 6.07091 15.4802 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 8.91036 9.72828 10.8336 9.63894 8.1088 16.9856 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 12.5625 7.85877 7.21333 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 8.17234 9.48923 9.29848 12.61 8.6537 10.95 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 8.17234 9.48923 9.29848 12.7466 8.75374 14.473 numMergedOcc 0
16 mol 229 unq 2 iso 0 dist 8.17234 9.48923 9.29848 11.0366 7.10634 15.7383 numMergedOcc 0
17 mol 229 unq 3 iso 0 dist 8.17234 9.48923 9.29848 6.23286 5.57702 10.0037 numMergedOcc 0
18 mol 229 unq 4 iso 0 dist 8.17234 9.67544 6.21233 12.61 8.6537 11.6115 numMergedOcc 0
19 mol 229 unq 5 iso 0 dist 8.17234 9.67544 6.21233 12.7466 8.75374 13.9028 numMergedOcc 0
20 mol 229 unq 6 iso 0 dist 8.17234 9.67544 6.21233 11.0366 7.10634 13.2937 numMergedOcc 0
21 mol 229 unq 7 iso 0 dist 8.17234 9.67544 6.21233 6.23286 5.57702 9.87838 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.15743 6.94983 9.60401 9.88635 7.70279 10.5803 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 8.15743 6.94983 9.60401 5.08111 9.29752 8.27212 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 6.28725 9.5181 6.94762 4.94699 7.86368 6.7625 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 5.67249 8.58958 10.3064 5.19951 7.46434 13.3467 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 5.67249 7.17987 6.50055 5.19951 7.46434 10.3625 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 5.40329 6.67907 4.32403 12.338 9.89665 13.5269 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 5.40329 6.67907 4.32403 5.81354 9.05929 8.04248 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 5.40329 6.0087 4.38595 12.338 9.89665 6.84306 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 5.40329 6.0087 4.38595 5.81354 9.05929 8.35971 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 9.01177 9.55574 11.6171 11.5884 6.1197 11.2418 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 6.84909 6.02089 9.83514 11.5692 9.64124 16.7479 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 6.84909 6.02089 9.83514 11.634 9.30668 17.2013 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 6.84909 6.87804 8.04474 11.5692 9.64124 11.448 numMergedOcc 0
35 mol 292 unq 3 iso 0 dist 6.84909 6.87804 8.04474 11.634 9.30668 8.2734 numMergedOcc 0
