0 mol 14 unq 0 iso 0 dist 8.05352 8.5032 4.4401 6.89209 9.85095 6.83016 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 8.5032 8.05352 4.4401 6.89209 6.83016 9.85095 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.59376 8.18794 4.83516 7.53042 7.12759 4.43881 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 8.18794 6.59376 4.83516 7.53042 4.43881 7.12759 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 8.86053 8.76925 10.2931 5.00126 8.20173 8.11238 numMergedOcc 0
5 mol 39 unq 0 iso 1 dist 8.76925 8.86053 10.2931 5.00126 8.11238 8.20173 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.29755 7.4038 5.58256 6.54183 5.58127 5.54544 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 7.4038 6.29755 5.58256 6.54183 5.54544 5.58127 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 9.25638 8.01856 4.29326 8.70949 12.5944 13.0612 numMergedOcc 0
9 mol 67 unq 0 iso 1 dist 8.01856 9.25638 4.29326 8.70949 13.0612 12.5944 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.7939 6.85356 4.56026 8.16299 7.80518 11.6012 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 6.85356 6.7939 4.56026 8.16299 11.6012 7.80518 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 5.37449 9.52666 7.53933 6.62246 4.80624 6.80777 numMergedOcc 0
13 mol 76 unq 0 iso 1 dist 9.52666 5.37449 7.53933 6.62246 6.80777 4.80624 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.88143 6.62952 8.21408 5.85841 4.04716 4.75433 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 6.62952 7.88143 8.21408 5.85841 4.75433 4.04716 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 7.88143 6.62952 8.21408 7.00285 13.0429 11.5098 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 6.62952 7.88143 8.21408 7.00285 11.5098 13.0429 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.14809 6.45169 10.7259 9.33945 14.651 7.47571 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 6.45169 9.14809 10.7259 9.33945 7.47571 14.651 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 6.55217 7.21686 5.17212 7.83582 9.7827 5.80354 numMergedOcc 0
21 mol 140 unq 0 iso 1 dist 7.21686 6.55217 5.17212 7.83582 5.80354 9.7827 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 6.55217 7.21686 5.17212 9.89896 7.94378 9.09814 numMergedOcc 0
23 mol 140 unq 1 iso 1 dist 7.21686 6.55217 5.17212 9.89896 9.09814 7.94378 numMergedOcc 0
24 mol 140 unq 2 iso 0 dist 6.55217 7.21686 5.17212 9.68229 12.2163 9.18193 numMergedOcc 0
25 mol 140 unq 2 iso 1 dist 7.21686 6.55217 5.17212 9.68229 9.18193 12.2163 numMergedOcc 0
26 mol 172 unq 0 iso 0 dist 9.21942 7.44084 13.7364 7.34586 12.8236 5.79462 numMergedOcc 0
27 mol 172 unq 0 iso 1 dist 7.44084 9.21942 13.7364 7.34586 5.79462 12.8236 numMergedOcc 0
28 mol 172 unq 1 iso 0 dist 9.21942 7.77643 16.193 7.34586 12.8236 8.10512 numMergedOcc 0
29 mol 172 unq 1 iso 1 dist 7.77643 9.21942 16.193 7.34586 8.10512 12.8236 numMergedOcc 0
30 mol 172 unq 1 iso 0 dist 7.44084 7.77643 10.1227 7.34586 5.79462 8.10512 numMergedOcc 0
31 mol 172 unq 1 iso 1 dist 7.77643 7.44084 10.1227 7.34586 8.10512 5.79462 numMergedOcc 0
32 mol 172 unq 2 iso 0 dist 5.28889 4.90175 10.1227 9.54849 10.0276 10.6482 numMergedOcc 0
33 mol 172 unq 2 iso 1 dist 4.90175 5.28889 10.1227 9.54849 10.6482 10.0276 numMergedOcc 0
34 mol 172 unq 3 iso 0 dist 5.28889 4.90175 10.1227 5.5139 5.79462 8.10512 numMergedOcc 0
35 mol 172 unq 3 iso 1 dist 4.90175 5.28889 10.1227 5.5139 8.10512 5.79462 numMergedOcc 0
36 mol 174 unq 0 iso 0 dist 9.56869 7.37131 5.33032 6.04817 4.69892 4.99043 numMergedOcc 0
37 mol 174 unq 0 iso 1 dist 7.37131 9.56869 5.33032 6.04817 4.99043 4.69892 numMergedOcc 0
38 mol 209 unq 0 iso 0 dist 6.74526 8.12326 5.00665 6.14896 7.34962 7.61997 numMergedOcc 0
39 mol 209 unq 0 iso 1 dist 8.12326 6.74526 5.00665 6.14896 7.61997 7.34962 numMergedOcc 0
40 mol 209 unq 1 iso 0 dist 8.68691 7.37014 5.00665 9.12289 7.34962 7.61997 numMergedOcc 0
41 mol 209 unq 1 iso 1 dist 7.37014 8.68691 5.00665 9.12289 7.61997 7.34962 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 6.72105 7.96569 4.68796 8.89211 10.8978 10.4487 numMergedOcc 0
43 mol 232 unq 0 iso 1 dist 7.96569 6.72105 4.68796 8.89211 10.4487 10.8978 numMergedOcc 0
44 mol 254 unq 0 iso 0 dist 5.73448 9.54526 7.61007 9.88373 5.36693 4.83107 numMergedOcc 0
45 mol 254 unq 0 iso 1 dist 9.54526 5.73448 7.61007 9.88373 4.83107 5.36693 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 8.73425 9.65711 5.31174 8.21585 5.90131 4.51422 numMergedOcc 0
47 mol 258 unq 0 iso 1 dist 9.65711 8.73425 5.31174 8.21585 4.51422 5.90131 numMergedOcc 0
