0 mol 18 unq 0 iso 0 dist 7.66002 8.81762 6.6768 5.32149 10.1168 7.14832 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.66002 5.32149 10.1168 8.81762 6.6768 7.14832 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.83177 8.81762 12.6736 5.32149 5.73846 7.14832 numMergedOcc 0
3 mol 18 unq 1 iso 1 dist 6.83177 5.32149 5.73846 8.81762 12.6736 7.14832 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 5.9581 7.15015 5.81806 3.68549 5.39896 5.5577 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 5.9581 3.68549 5.39896 7.15015 5.81806 5.5577 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.57204 6.84521 13.8309 8.90024 17.7655 5.06502 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 9.57204 8.90024 17.7655 6.84521 13.8309 5.06502 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 9.57204 6.84521 13.8309 6.78532 14.5683 5.89973 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 9.57204 6.78532 14.5683 6.84521 13.8309 5.89973 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 9.57204 8.90024 17.7655 6.78532 14.5683 6.45462 numMergedOcc 0
11 mol 43 unq 1 iso 1 dist 9.57204 6.78532 14.5683 8.90024 17.7655 6.45462 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 5.88647 5.48831 5.46166 9.39178 5.58151 5.82403 numMergedOcc 0
13 mol 72 unq 0 iso 1 dist 5.88647 9.39178 5.58151 5.48831 5.46166 5.82403 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 8.86576 9.25901 7.74462 7.96299 11.6072 9.36098 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 8.86576 7.96299 11.6072 9.25901 7.74462 9.36098 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 8.79798 9.96446 16.134 6.70686 13.618 5.04493 numMergedOcc 0
17 mol 92 unq 0 iso 1 dist 8.79798 6.70686 13.618 9.96446 16.134 5.04493 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.34402 8.66715 6.80292 9.00172 11.8155 8.18495 numMergedOcc 0
19 mol 133 unq 0 iso 1 dist 8.34402 9.00172 11.8155 8.66715 6.80292 8.18495 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.21359 6.0639 5.85613 6.91355 10.0304 6.85436 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 7.21359 6.91355 10.0304 6.0639 5.85613 6.85436 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 6.82475 9.03917 11.9319 6.56775 5.19684 8.31875 numMergedOcc 0
23 mol 235 unq 0 iso 1 dist 6.82475 6.56775 5.19684 9.03917 11.9319 8.31875 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 8.75137 7.79723 6.6173 8.14526 8.95486 5.01979 numMergedOcc 0
25 mol 249 unq 0 iso 1 dist 8.75137 8.14526 8.95486 7.79723 6.6173 5.01979 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 7.82699 7.79723 5.25611 8.14526 9.66184 5.01979 numMergedOcc 0
27 mol 249 unq 1 iso 1 dist 7.82699 8.14526 9.66184 7.79723 5.25611 5.01979 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 8.55696 6.95233 5.928 9.61741 9.08196 13.0015 numMergedOcc 0
29 mol 266 unq 0 iso 1 dist 8.55696 9.61741 9.08196 6.95233 5.928 13.0015 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 8.55696 6.95233 5.928 5.61056 6.4179 7.49927 numMergedOcc 0
31 mol 266 unq 1 iso 1 dist 8.55696 5.61056 6.4179 6.95233 5.928 7.49927 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 8.55696 9.61741 9.08196 5.61056 6.4179 7.0568 numMergedOcc 0
33 mol 266 unq 1 iso 1 dist 8.55696 5.61056 6.4179 9.61741 9.08196 7.0568 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 7.45814 6.95233 11.1633 9.61741 16.5582 13.0015 numMergedOcc 0
35 mol 266 unq 2 iso 1 dist 7.45814 9.61741 16.5582 6.95233 11.1633 13.0015 numMergedOcc 0
36 mol 266 unq 3 iso 0 dist 7.45814 6.95233 11.1633 5.61056 11.8299 7.49927 numMergedOcc 0
37 mol 266 unq 3 iso 1 dist 7.45814 5.61056 11.8299 6.95233 11.1633 7.49927 numMergedOcc 0
38 mol 266 unq 3 iso 0 dist 7.45814 9.61741 16.5582 5.61056 11.8299 7.0568 numMergedOcc 0
39 mol 266 unq 3 iso 1 dist 7.45814 5.61056 11.8299 9.61741 16.5582 7.0568 numMergedOcc 0
