0 mol 24 unq 0 iso 0 dist 5.68215 6.56748 7.26334 4.50066 6.19899 4.15946 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 5.68215 4.50066 6.19899 6.56748 7.26334 4.15946 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.68215 6.56748 7.26334 5.11617 6.61696 9.92026 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 5.68215 5.11617 6.61696 6.56748 7.26334 9.92026 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.68215 4.50066 6.19899 5.11617 6.61696 6.16544 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 5.68215 5.11617 6.61696 4.50066 6.19899 6.16544 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.27472 6.38336 4.44526 6.7828 9.586 11.342 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 7.27472 6.7828 9.586 6.38336 4.44526 11.342 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.48085 6.08585 6.53269 9.15781 9.81524 4.43692 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 9.48085 9.15781 9.81524 6.08585 6.53269 4.43692 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 9.49421 5.77929 6.53269 6.68639 9.81524 4.43692 numMergedOcc 0
11 mol 25 unq 1 iso 1 dist 9.49421 6.68639 9.81524 5.77929 6.53269 4.43692 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.13008 7.05542 8.98912 10.9681 8.93769 5.74171 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 7.13008 10.9681 8.93769 7.05542 8.98912 5.74171 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.10496 7.94178 9.84703 4.4057 4.62494 10.2754 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 5.10496 4.4057 4.62494 7.94178 9.84703 10.2754 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.64383 18.5442 9.25444 16.4267 8.46823 10.2754 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 9.64383 16.4267 8.46823 18.5442 9.25444 10.2754 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.92242 15.7178 9.84703 7.42446 4.62494 10.2754 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 5.92242 7.42446 4.62494 15.7178 9.84703 10.2754 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.54889 9.85543 9.25444 9.67482 8.46823 10.2754 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 7.54889 9.67482 8.46823 9.85543 9.25444 10.2754 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 5.2571 9.85543 9.84703 9.67482 4.62494 10.2754 numMergedOcc 0
23 mol 98 unq 4 iso 1 dist 5.2571 9.67482 4.62494 9.85543 9.84703 10.2754 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 7.78931 7.28361 9.25444 12.0974 8.46823 10.2754 numMergedOcc 0
25 mol 98 unq 5 iso 1 dist 7.78931 12.0974 8.46823 7.28361 9.25444 10.2754 numMergedOcc 0
26 mol 98 unq 6 iso 0 dist 8.7497 7.28361 9.84703 12.0974 4.62494 10.2754 numMergedOcc 0
27 mol 98 unq 6 iso 1 dist 8.7497 12.0974 4.62494 7.28361 9.84703 10.2754 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 8.91882 6.71012 6.55173 5.80144 6.59691 4.36434 numMergedOcc 0
29 mol 100 unq 0 iso 1 dist 8.91882 5.80144 6.59691 6.71012 6.55173 4.36434 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 9.21662 6.12107 6.55173 5.42531 6.59691 4.36434 numMergedOcc 0
31 mol 100 unq 1 iso 1 dist 9.21662 5.42531 6.59691 6.12107 6.55173 4.36434 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 7.7988 6.41459 8.06134 7.64054 5.36587 6.44444 numMergedOcc 0
33 mol 112 unq 0 iso 1 dist 7.7988 7.64054 5.36587 6.41459 8.06134 6.44444 numMergedOcc 0
34 mol 112 unq 1 iso 0 dist 9.40824 7.18484 8.06134 10.9474 5.36587 6.44444 numMergedOcc 0
35 mol 112 unq 1 iso 1 dist 9.40824 10.9474 5.36587 7.18484 8.06134 6.44444 numMergedOcc 0
36 mol 112 unq 2 iso 0 dist 4.22363 4.35926 8.06134 5.76098 5.36587 6.44444 numMergedOcc 0
37 mol 112 unq 2 iso 1 dist 4.22363 5.76098 5.36587 4.35926 8.06134 6.44444 numMergedOcc 0
38 mol 141 unq 0 iso 0 dist 8.07097 10.1386 5.92302 7.42649 5.29898 6.51325 numMergedOcc 0
39 mol 141 unq 0 iso 1 dist 8.07097 7.42649 5.29898 10.1386 5.92302 6.51325 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 5.37047 6.48978 5.06564 5.20762 7.5373 4.30566 numMergedOcc 0
41 mol 143 unq 0 iso 1 dist 5.37047 5.20762 7.5373 6.48978 5.06564 4.30566 numMergedOcc 0
42 mol 154 unq 0 iso 0 dist 8.33439 7.51976 8.71789 7.23684 5.2693 6.92308 numMergedOcc 0
43 mol 154 unq 0 iso 1 dist 8.33439 7.23684 5.2693 7.51976 8.71789 6.92308 numMergedOcc 0
44 mol 155 unq 0 iso 0 dist 8.97626 5.50031 9.16358 6.89781 9.24038 6.56063 numMergedOcc 0
45 mol 155 unq 0 iso 1 dist 8.97626 6.89781 9.24038 5.50031 9.16358 6.56063 numMergedOcc 0
46 mol 170 unq 0 iso 0 dist 9.08274 9.275 6.47164 12.5696 9.65126 6.24983 numMergedOcc 0
47 mol 170 unq 0 iso 1 dist 9.08274 12.5696 9.65126 9.275 6.47164 6.24983 numMergedOcc 0
48 mol 170 unq 1 iso 0 dist 9.51256 4.34698 6.47164 5.75144 9.65126 6.24983 numMergedOcc 0
49 mol 170 unq 1 iso 1 dist 9.51256 5.75144 9.65126 4.34698 6.47164 6.24983 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.55105 5.63555 9.43306 7.20191 8.4848 9.53592 numMergedOcc 0
51 mol 181 unq 0 iso 1 dist 9.55105 7.20191 8.4848 5.63555 9.43306 9.53592 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 6.99769 5.91654 9.25617 9.14278 9.05276 6.43567 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 6.99769 9.14278 9.05276 5.91654 9.25617 6.43567 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 8.79428 7.38836 9.25617 12.4832 9.05276 6.43567 numMergedOcc 0
55 mol 224 unq 1 iso 1 dist 8.79428 12.4832 9.05276 7.38836 9.25617 6.43567 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 6.8692 10.6079 9.25617 11.5752 9.05276 6.43567 numMergedOcc 0
57 mol 224 unq 2 iso 1 dist 6.8692 11.5752 9.05276 10.6079 9.25617 6.43567 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 5.23634 6.35849 9.18728 10.9607 8.91971 11.362 numMergedOcc 0
59 mol 227 unq 0 iso 1 dist 5.23634 10.9607 8.91971 6.35849 9.18728 11.362 numMergedOcc 0
60 mol 227 unq 1 iso 0 dist 6.91318 10.204 9.18728 9.72615 8.91971 11.362 numMergedOcc 0
61 mol 227 unq 1 iso 1 dist 6.91318 9.72615 8.91971 10.204 9.18728 11.362 numMergedOcc 0
62 mol 239 unq 0 iso 0 dist 6.73665 11.169 8.95511 5.88931 5.85002 13.9726 numMergedOcc 0
63 mol 239 unq 0 iso 1 dist 6.73665 5.88931 5.85002 11.169 8.95511 13.9726 numMergedOcc 0
64 mol 239 unq 1 iso 0 dist 9.34438 18.2672 8.95511 6.22471 5.85002 13.9726 numMergedOcc 0
65 mol 239 unq 1 iso 1 dist 9.34438 6.22471 5.85002 18.2672 8.95511 13.9726 numMergedOcc 0
66 mol 239 unq 2 iso 0 dist 9.35949 13.9678 8.95511 9.88845 5.85002 13.9726 numMergedOcc 0
67 mol 239 unq 2 iso 1 dist 9.35949 9.88845 5.85002 13.9678 8.95511 13.9726 numMergedOcc 0
68 mol 273 unq 0 iso 0 dist 6.31969 7.81483 5.61969 7.92179 9.0277 4.4844 numMergedOcc 0
69 mol 273 unq 0 iso 1 dist 6.31969 7.92179 9.0277 7.81483 5.61969 4.4844 numMergedOcc 0
70 mol 274 unq 0 iso 0 dist 6.4611 9.5468 9.65868 6.70925 8.60027 10.7637 numMergedOcc 0
71 mol 274 unq 0 iso 1 dist 6.4611 6.70925 8.60027 9.5468 9.65868 10.7637 numMergedOcc 0
