0 mol 29 unq 0 iso 0 dist 8.53135 8.58191 5.97852 11.2036 9.78134 14.8532 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 4.80247 7.89184 3.54989 10.8339 9.23105 7.53964 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 4.80247 7.89184 3.54989 7.01089 6.14494 5.76961 numMergedOcc 0
3 mol 56 unq 2 iso 0 dist 4.80247 5.91948 4.67834 10.8339 9.23105 12.6801 numMergedOcc 0
4 mol 56 unq 3 iso 0 dist 4.80247 5.91948 4.67834 7.01089 6.14494 9.47401 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.37449 8.8326 5.34337 7.15288 9.73179 9.59729 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 7.35921 9.08749 6.42891 5.21656 9.72782 12.6437 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 7.35921 9.08749 6.42891 7.42523 8.81954 13.9543 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 7.69352 6.66653 3.35829 8.55619 7.86042 6.69042 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 8.27071 7.84418 10.4922 5.23547 7.53734 6.40171 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 8.63185 6.92823 6.22981 9.39472 8.92597 6.40171 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 5.17916 7.61739 6.4817 7.60854 7.99441 8.14294 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 5.17916 7.61739 6.4817 5.13817 6.71817 5.72 numMergedOcc 0
13 mol 222 unq 2 iso 0 dist 5.17916 7.61739 6.4817 4.54609 8.41524 6.84052 numMergedOcc 0
14 mol 222 unq 3 iso 0 dist 5.17916 9.59191 8.05936 7.60854 7.99441 13.4455 numMergedOcc 0
15 mol 222 unq 4 iso 0 dist 5.17916 9.59191 8.05936 5.13817 6.71817 10.6631 numMergedOcc 0
16 mol 222 unq 5 iso 0 dist 5.17916 9.59191 8.05936 4.54609 8.41524 9.58086 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 7.30003 6.50932 3.89748 7.4921 7.93194 6.03081 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.75366 5.41453 4.70535 4.48114 5.52788 4.66186 numMergedOcc 0
19 mol 267 unq 0 iso 0 dist 6.79491 4.42902 6.15683 9.80917 9.58438 12.9158 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 7.76659 9.68114 5.14196 6.33695 8.40612 10.3302 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 6.93798 8.39635 5.55396 5.83652 5.32876 9.97688 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 6.93798 8.39635 5.55396 5.99759 7.60296 10.9622 numMergedOcc 0
