0 mol 44 unq 0 iso 0 dist 9.16411 12.5896 9.17518 13.7449 7.03307 9.05795 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.16411 12.5896 9.17518 10.2782 7.25707 6.37181 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 9.16411 6.50809 8.21833 13.7449 7.03307 11.814 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 9.16411 6.50809 8.21833 10.2782 7.25707 7.77924 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.23849 14.3205 8.80104 10.8073 6.40693 7.66647 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 6.4776 6.71645 8.80104 9.58376 6.40693 7.66647 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.40964 7.18031 9.20197 5.04277 8.57827 10.7055 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 6.40964 7.18031 9.20197 6.77665 7.94453 6.91947 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.16531 14.3084 7.85041 14.4018 7.62611 6.957 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.98593 12.7552 7.85041 7.04959 7.62611 6.957 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.5606 5.04712 8.06525 9.72019 9.35942 9.47219 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 7.28671 6.76183 5.63814 6.59209 4.74531 8.3622 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 6.64084 8.64445 6.39981 4.57581 6.76055 5.42969 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 6.64084 8.64445 6.39981 11.2833 9.36343 4.77562 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.05288 7.90465 6.58434 4.36359 5.5995 4.57622 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.7062 16.424 9.83885 4.79372 5.95375 11.8917 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 5.6524 6.06056 6.4829 4.36112 5.57779 5.96222 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 5.6524 6.06056 6.4829 10.7545 7.05649 10.1011 numMergedOcc 0
18 mol 210 unq 2 iso 0 dist 5.6524 6.06056 6.4829 10.4519 6.78579 12.5026 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 9.56438 6.70116 8.23056 11.1913 9.30921 6.29016 numMergedOcc 0
