0 mol 1 unq 0 iso 0 dist 5.55208 6.04659 4.93997 9.40282 5.84337 9.02078 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.55208 6.04659 4.93997 9.35554 10.1549 5.27206 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.5933 6.04659 6.48748 9.40282 9.7992 9.02078 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 6.5933 6.04659 6.48748 9.35554 11.2541 5.27206 numMergedOcc 0
4 mol 1 unq 4 iso 0 dist 7.46191 6.04659 4.62179 9.40282 12.0014 9.02078 numMergedOcc 0
5 mol 1 unq 5 iso 0 dist 7.46191 6.04659 4.62179 9.35554 7.79638 5.27206 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.09741 5.89962 9.91873 9.25901 6.60114 10.5837 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 8.09741 5.89962 9.91873 7.96299 7.39819 4.53359 numMergedOcc 0
8 mol 90 unq 2 iso 0 dist 8.43532 5.89962 10.7229 9.25901 7.28798 10.5837 numMergedOcc 0
9 mol 90 unq 3 iso 0 dist 8.43532 5.89962 10.7229 7.96299 12.4809 4.53359 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.14171 7.34054 5.34231 7.77678 6.30402 4.60073 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 8.14171 7.36326 5.23708 7.77678 6.30402 5.33778 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 9.15244 9.33818 3.85333 7.9895 10.4764 13.0008 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 9.15244 9.33818 3.85333 6.53913 7.79718 9.37794 numMergedOcc 0
14 mol 167 unq 2 iso 0 dist 8.08948 9.33818 13.3912 7.9895 5.09673 13.0008 numMergedOcc 0
15 mol 167 unq 3 iso 0 dist 8.08948 9.33818 13.3912 6.53913 12.3929 9.37794 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.69565 7.59599 13.6792 6.0639 4.77798 9.21913 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 9.69565 7.59599 13.6792 6.91355 9.72802 11.6591 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 9.69565 7.76429 13.4472 6.0639 4.77798 11.1768 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 9.69565 7.76429 13.4472 6.91355 9.72802 6.22624 numMergedOcc 0
20 mol 186 unq 4 iso 0 dist 9.69565 7.73733 7.30823 6.0639 4.77798 7.03438 numMergedOcc 0
21 mol 186 unq 5 iso 0 dist 9.69565 7.73733 7.30823 6.91355 9.72802 5.22317 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 8.15146 8.75987 10.6214 7.58097 5.32416 12.6895 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.27573 8.27047 9.90287 6.03738 7.41279 9.39461 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 8.19911 6.74917 10.7408 7.91348 7.00892 5.91451 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 8.19911 6.31608 4.87406 7.91348 7.00892 4.52914 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 5.21387 5.87353 4.53925 9.07206 6.41758 7.58851 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 5.21387 7.87214 9.19188 9.07206 6.41758 13.6874 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 7.21215 9.00434 6.79927 6.95233 8.34545 9.65978 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 7.21215 9.00434 6.79927 9.61741 16.1108 18.4434 numMergedOcc 0
30 mol 266 unq 2 iso 0 dist 7.21215 9.00434 6.79927 5.61056 9.99445 13.7874 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 6.60861 6.76971 9.83146 9.27716 5.22248 11.6589 numMergedOcc 0
32 mol 281 unq 1 iso 0 dist 6.60861 9.68891 15.6946 9.27716 5.22248 17.1255 numMergedOcc 0
