0 mol 10 unq 0 iso 0 dist 6.88548 4.89792 4.71687 6.32714 9.38807 9.17574 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.88548 4.89792 4.71687 4.20242 9.17211 8.79953 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.44893 5.42968 4.21283 6.2838 4.90592 7.85986 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.44893 5.94343 4.97191 11.9306 8.78859 7.03544 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.44893 5.94343 4.97191 6.2838 4.90592 4.30252 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 6.40398 7.92586 12.0238 9.22809 10.0284 7.48723 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.72742 9.66932 4.06864 13.3807 6.15801 8.0991 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 8.72742 9.66932 4.06864 14.8083 9.63403 8.80175 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 8.72742 9.66932 4.06864 10.8487 9.59846 8.61637 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 6.90574 9.83758 4.26808 16.4374 10.151 9.72371 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 5.93793 6.67979 5.46636 6.12676 11.0482 8.65859 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 9.23513 9.38 12.5502 10.172 17.5434 7.4442 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 5.32135 7.37255 6.02991 4.63493 5.8628 4.6512 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 5.32135 7.37255 6.02991 8.58875 12.1658 9.45696 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.59729 8.86574 9.42515 9.75326 10.785 5.25762 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 8.14959 9.81333 11.578 5.58576 12.8359 8.34477 numMergedOcc 0
16 mol 188 unq 1 iso 0 dist 8.14959 9.81333 11.578 13.977 19.0247 8.4784 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 8.65572 8.42431 15.8594 6.43152 14.7716 5.17607 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 8.39332 8.42431 13.0074 6.43152 12.2958 5.17607 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 6.47064 8.32382 12.1428 10.6874 10.9749 8.91416 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 5.67349 8.55479 11.1232 11.7392 14.568 9.41212 numMergedOcc 0
