0 mol 28 unq 0 iso 0 dist 8.91922 4.30283 7.49391 9.6867 6.5312 7.37857 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.91922 4.30283 7.49391 5.13138 4.45307 4.7978 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.79638 12.1817 8.47637 20.135 14.4182 8.08195 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.79638 12.1817 8.47637 15.5299 9.25982 5.78587 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 6.42785 4.80296 8.47637 12.2687 14.4182 8.08195 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 6.42785 4.80296 8.47637 7.61351 9.25982 5.78587 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 5.75809 7.20041 8.47637 12.1352 14.4182 8.08195 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 5.75809 7.20041 8.47637 9.6147 9.25982 5.78587 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 5.19407 4.57495 6.48394 6.49242 3.76156 8.31442 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.2753 6.76125 7.67463 8.09408 4.06365 6.00564 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 4.77363 5.26505 6.69121 14.158 14.0343 9.29087 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 8.69371 9.37246 6.34004 4.86701 4.26808 6.63857 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.382 8.74922 9.8911 9.13081 4.9293 8.34503 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 7.382 4.95238 7.02043 9.13081 4.9293 5.70499 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 4.93944 12.9884 8.56285 17.8156 14.1697 8.88404 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 7.31316 16.0694 8.93352 15.0285 10.0237 7.39369 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 8.9865 6.34292 8.93352 12.9058 10.0237 7.39369 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.27988 11.3214 8.42716 13.2322 6.72925 5.96238 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.27988 11.3214 8.42716 17.0917 10.2944 7.85966 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 8.27988 5.50211 5.69652 13.2322 6.72925 8.24405 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.92906 6.14222 5.3772 8.35023 5.85068 9.96989 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 6.92906 11.0602 8.70007 8.35023 5.85068 4.57246 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 5.57978 6.14222 7.59138 8.35023 12.3165 9.96989 numMergedOcc 0
