0 mol 29 unq 0 iso 0 dist 9.15151 4.32019 9.50237 6.37468 4.8437 5.10713 numMergedOcc 0
1 mol 29 unq 0 iso 1 dist 9.15151 6.37468 4.8437 4.32019 9.50237 5.10713 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.83766 9.67807 5.77851 8.85333 8.41189 3.53018 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 8.83766 8.85333 8.41189 9.67807 5.77851 3.53018 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 8.83766 9.67807 5.77851 4.06512 9.21122 7.62116 numMergedOcc 0
5 mol 30 unq 1 iso 1 dist 8.83766 4.06512 9.21122 9.67807 5.77851 7.62116 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 8.83766 8.85333 8.41189 4.06512 9.21122 5.97964 numMergedOcc 0
7 mol 30 unq 1 iso 1 dist 8.83766 4.06512 9.21122 8.85333 8.41189 5.97964 numMergedOcc 0
8 mol 30 unq 2 iso 0 dist 7.27268 6.54878 5.77851 5.53425 8.41189 3.53018 numMergedOcc 0
9 mol 30 unq 2 iso 1 dist 7.27268 5.53425 8.41189 6.54878 5.77851 3.53018 numMergedOcc 0
10 mol 30 unq 3 iso 0 dist 7.27268 6.54878 5.77851 5.62773 9.21122 7.62116 numMergedOcc 0
11 mol 30 unq 3 iso 1 dist 7.27268 5.62773 9.21122 6.54878 5.77851 7.62116 numMergedOcc 0
12 mol 30 unq 3 iso 0 dist 7.27268 5.53425 8.41189 5.62773 9.21122 5.97964 numMergedOcc 0
13 mol 30 unq 3 iso 1 dist 7.27268 5.62773 9.21122 5.53425 8.41189 5.97964 numMergedOcc 0
14 mol 34 unq 0 iso 0 dist 9.44189 4.55481 6.74143 13.4762 7.70274 11.6209 numMergedOcc 0
15 mol 34 unq 0 iso 1 dist 9.44189 13.4762 7.70274 4.55481 6.74143 11.6209 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.30021 4.41789 8.67263 7.40484 6.79353 3.79127 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 9.30021 7.40484 6.79353 4.41789 8.67263 3.79127 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 9.30021 4.41789 8.67263 7.77058 8.60897 5.22379 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 9.30021 7.77058 8.60897 4.41789 8.67263 5.22379 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 9.30021 7.40484 6.79353 7.77058 8.60897 3.84166 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 9.30021 7.77058 8.60897 7.40484 6.79353 3.84166 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 5.62635 5.59906 8.67263 5.48575 6.79353 3.79127 numMergedOcc 0
23 mol 85 unq 2 iso 1 dist 5.62635 5.48575 6.79353 5.59906 8.67263 3.79127 numMergedOcc 0
24 mol 85 unq 3 iso 0 dist 5.62635 5.59906 8.67263 8.75957 8.60897 5.22379 numMergedOcc 0
25 mol 85 unq 3 iso 1 dist 5.62635 8.75957 8.60897 5.59906 8.67263 5.22379 numMergedOcc 0
26 mol 85 unq 3 iso 0 dist 5.62635 5.48575 6.79353 8.75957 8.60897 3.84166 numMergedOcc 0
27 mol 85 unq 3 iso 1 dist 5.62635 8.75957 8.60897 5.48575 6.79353 3.84166 numMergedOcc 0
28 mol 105 unq 0 iso 0 dist 8.63784 7.20893 9.09103 5.36369 4.61871 5.52168 numMergedOcc 0
29 mol 105 unq 0 iso 1 dist 8.63784 5.36369 4.61871 7.20893 9.09103 5.52168 numMergedOcc 0
30 mol 157 unq 0 iso 0 dist 7.02823 9.13808 7.98849 5.40634 8.18386 5.15825 numMergedOcc 0
31 mol 157 unq 0 iso 1 dist 7.02823 5.40634 8.18386 9.13808 7.98849 5.15825 numMergedOcc 0
32 mol 157 unq 1 iso 0 dist 8.97404 10.308 7.98849 10.5879 8.18386 5.15825 numMergedOcc 0
33 mol 157 unq 1 iso 1 dist 8.97404 10.5879 8.18386 10.308 7.98849 5.15825 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 5.08591 5.00913 8.2071 5.42675 8.88578 3.58402 numMergedOcc 0
35 mol 175 unq 0 iso 1 dist 5.08591 5.42675 8.88578 5.00913 8.2071 3.58402 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 8.03727 11.1374 8.2071 10.604 8.88578 3.58402 numMergedOcc 0
37 mol 175 unq 1 iso 1 dist 8.03727 10.604 8.88578 11.1374 8.2071 3.58402 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 6.83371 10.0028 5.79887 5.77706 5.27254 4.79329 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 6.83371 5.77706 5.27254 10.0028 5.79887 4.79329 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 6.83371 10.0028 5.79887 8.08444 6.05616 7.3861 numMergedOcc 0
41 mol 222 unq 1 iso 1 dist 6.83371 8.08444 6.05616 10.0028 5.79887 7.3861 numMergedOcc 0
42 mol 222 unq 1 iso 0 dist 6.83371 5.77706 5.27254 8.08444 6.05616 7.3463 numMergedOcc 0
43 mol 222 unq 1 iso 1 dist 6.83371 8.08444 6.05616 5.77706 5.27254 7.3463 numMergedOcc 0
44 mol 244 unq 0 iso 0 dist 7.27258 9.08418 6.22884 9.51776 8.69671 13.8474 numMergedOcc 0
45 mol 244 unq 0 iso 1 dist 7.27258 9.51776 8.69671 9.08418 6.22884 13.8474 numMergedOcc 0
46 mol 244 unq 1 iso 0 dist 7.27258 9.08418 6.22884 11.589 7.67041 6.39982 numMergedOcc 0
47 mol 244 unq 1 iso 1 dist 7.27258 11.589 7.67041 9.08418 6.22884 6.39982 numMergedOcc 0
48 mol 244 unq 1 iso 0 dist 7.27258 9.51776 8.69671 11.589 7.67041 11.9998 numMergedOcc 0
49 mol 244 unq 1 iso 1 dist 7.27258 11.589 7.67041 9.51776 8.69671 11.9998 numMergedOcc 0
50 mol 244 unq 2 iso 0 dist 5.29811 8.57313 6.22884 6.1597 8.69671 13.8474 numMergedOcc 0
51 mol 244 unq 2 iso 1 dist 5.29811 6.1597 8.69671 8.57313 6.22884 13.8474 numMergedOcc 0
52 mol 244 unq 3 iso 0 dist 5.29811 8.57313 6.22884 5.8752 7.67041 6.39982 numMergedOcc 0
53 mol 244 unq 3 iso 1 dist 5.29811 5.8752 7.67041 8.57313 6.22884 6.39982 numMergedOcc 0
54 mol 244 unq 3 iso 0 dist 5.29811 6.1597 8.69671 5.8752 7.67041 11.9998 numMergedOcc 0
55 mol 244 unq 3 iso 1 dist 5.29811 5.8752 7.67041 6.1597 8.69671 11.9998 numMergedOcc 0
56 mol 270 unq 0 iso 0 dist 8.34847 4.52348 6.65704 3.87381 7.33514 6.94419 numMergedOcc 0
57 mol 270 unq 0 iso 1 dist 8.34847 3.87381 7.33514 4.52348 6.65704 6.94419 numMergedOcc 0
58 mol 270 unq 1 iso 0 dist 9.73905 10.8041 6.65704 10.9318 7.33514 6.94419 numMergedOcc 0
59 mol 270 unq 1 iso 1 dist 9.73905 10.9318 7.33514 10.8041 6.65704 6.94419 numMergedOcc 0
60 mol 273 unq 0 iso 0 dist 6.70271 12.2939 9.31904 5.75897 8.93651 15.3217 numMergedOcc 0
61 mol 273 unq 0 iso 1 dist 6.70271 5.75897 8.93651 12.2939 9.31904 15.3217 numMergedOcc 0
62 mol 273 unq 1 iso 0 dist 6.08532 9.38086 9.31904 6.08661 8.93651 15.3217 numMergedOcc 0
63 mol 273 unq 1 iso 1 dist 6.08532 6.08661 8.93651 9.38086 9.31904 15.3217 numMergedOcc 0
