0 mol 28 unq 0 iso 0 dist 9.96056 8.70005 11.3738 9.05939 7.2865 6.20881 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.96056 8.70005 11.3738 9.38747 5.48831 11.4016 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.14455 9.17591 10.4104 7.13608 5.46097 6.97536 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 8.14455 9.17591 10.4104 4.95327 5.27549 6.4024 numMergedOcc 0
4 mol 32 unq 2 iso 0 dist 5.07365 7.12013 4.88331 9.46895 7.66677 8.79217 numMergedOcc 0
5 mol 37 unq 0 iso 0 dist 7.80332 5.98359 5.44092 9.21102 5.2969 4.23663 numMergedOcc 0
6 mol 37 unq 1 iso 0 dist 7.80332 5.98359 5.44092 6.84257 8.72643 8.49523 numMergedOcc 0
7 mol 37 unq 2 iso 0 dist 8.02122 5.98359 5.12933 9.21102 8.62672 4.23663 numMergedOcc 0
8 mol 37 unq 3 iso 0 dist 8.02122 5.98359 5.12933 6.84257 12.269 8.49523 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 4.54428 6.10175 8.97716 6.29755 6.36332 12.1689 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 4.54428 6.10175 8.97716 7.4038 4.66088 11.8364 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 9.90823 8.06263 5.62638 5.48997 11.1617 6.94076 numMergedOcc 0
12 mol 68 unq 1 iso 0 dist 6.20207 8.06263 6.88473 5.48997 4.6505 6.94076 numMergedOcc 0
13 mol 86 unq 0 iso 0 dist 8.12121 9.64554 5.9222 8.42594 8.00343 10.2202 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.80347 3.59451 7.62019 4.3521 10.386 7.89992 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 9.21841 9.80092 5.98829 9.00365 7.42421 7.687 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 5.97546 6.4922 5.44278 8.15734 11.0803 6.69705 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 7.71876 5.98076 4.8053 9.11823 8.6777 10.7072 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 9.02359 8.87355 5.4751 8.52827 8.87149 10.2078 numMergedOcc 0
