0 mol 13 unq 0 iso 0 dist 6.02651 6.42789 8.63643 13.5613 10.8643 9.21911 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.20106 11.1708 6.52528 12.3876 5.30861 9.21911 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 7.76514 4.93518 6.52528 12.1832 5.30861 9.21911 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 8.53135 11.2036 9.78134 14.3861 7.29489 9.41017 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 8.76925 11.4523 7.92518 9.70029 6.8989 6.13351 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.48997 11.1122 7.50377 13.8021 9.60291 7.98985 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.37449 7.15288 9.73179 7.3795 7.75939 7.46095 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.8089 7.08619 7.79538 12.2802 4.39227 8.02443 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 9.8089 7.08619 7.79538 14.8544 8.32896 9.09458 numMergedOcc 0
9 mol 96 unq 0 iso 0 dist 7.64192 4.475 9.62431 10.9029 8.0334 9.13187 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 6.39026 7.12458 6.6536 11.9715 6.24821 8.06134 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 6.39026 7.12458 6.6536 9.92491 6.74235 5.36587 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.73804 7.15161 8.88752 13.7414 12.8098 8.83732 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.5614 9.88447 7.95751 7.66512 4.1584 7.42144 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.5614 8.09962 5.39002 7.66512 4.1584 6.27658 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 9.06599 10.541 8.99128 15.6647 11.7393 9.16358 numMergedOcc 0
16 mol 155 unq 1 iso 0 dist 9.06599 10.541 8.99128 10.9746 10.7516 9.24038 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.6409 9.55695 6.84679 14.9169 9.12063 6.88127 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 8.50367 4.61281 7.80421 12.4147 10.4519 9.68477 numMergedOcc 0
19 mol 210 unq 1 iso 0 dist 8.94889 10.3044 7.80421 10.9072 10.4519 9.68477 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 5.17916 7.60854 7.99441 8.8394 4.07008 8.43195 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 5.17916 5.13817 6.71817 8.8394 4.07008 8.23406 numMergedOcc 0
22 mol 242 unq 0 iso 0 dist 9.035 8.04296 8.29838 11.1963 5.53523 6.31971 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 6.2667 4.69103 8.93589 5.60146 4.89551 6.53416 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.60309 4.30667 7.38515 8.18174 5.09064 7.83214 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.60309 4.30667 7.38515 12.4252 6.0906 9.59929 numMergedOcc 0
