0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 14.4326 7.47201 9.49511 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 12.7979 7.47201 9.49511 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 7.7625 5.8664 9.0709 5.71023 7.52921 11.0025 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 9.33879 5.75761 6.55615 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 9.33879 5.75761 9.64358 numMergedOcc 0
5 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 4.84074 5.75761 6.55615 numMergedOcc 0
6 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 4.84074 5.75761 9.64358 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 6.85083 7.35881 7.17396 5.23958 8.49118 5.64744 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 7.26032 5.91309 9.5497 8.38738 6.81209 7.71512 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 5.49793 5.82069 9.5497 5.711 6.81209 7.71512 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.41387 6.54872 9.84395 6.65593 8.2236 10.0324 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 6.65593 8.2236 11.1062 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 5.02823 6.69217 11.3981 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 7.91659 5.72373 10.2773 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 9.79448 6.02237 9.30299 7.91659 5.72373 10.7123 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 7.17978 7.19937 10.8443 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 6.08032 5.08591 8.19969 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 6.08032 5.08591 5.33769 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 6.08032 8.03727 8.19969 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 6.08032 8.03727 5.33769 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 9.59093 6.52987 4.92241 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 9.59093 6.52987 7.36565 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 9.59093 6.52987 10.9417 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 7.19917 9.55205 6.18308 4.90423 9.08674 7.86189 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.49673 6.10412 7.00034 7.04661 6.09177 6.41859 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 8.49673 6.10412 7.00034 4.72616 7.18198 9.00586 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 4.6168 6.51383 5.41499 numMergedOcc 0
