0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.80928 4.51865 6.864 11.0366 7.34551 10.4091 7.20519 12.1187 7.07775 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 7.34551 7.20519 10.4091 12.1187 5.80928 6.864 4.51865 11.0366 7.07775 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 5.03957 7.82074 11.0366 12.1187 7.67038 8.4674 4.51865 10.4091 10.3915 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.67038 4.51865 8.4674 10.4091 5.03957 11.0366 7.82074 12.1187 10.3915 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 6.54743 8.90863 11.5843 10.0828 10.1562 16.4714 8.33063 17.3965 12.2509 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 10.1562 8.33063 16.4714 17.3965 6.54743 11.5843 8.90863 10.0828 12.2509 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 6.54743 8.90863 11.5843 10.0828 5.67502 11.1899 8.7531 12.4656 5.00018 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 5.67502 8.7531 11.1899 12.4656 6.54743 11.5843 8.90863 10.0828 5.00018 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 6.54743 8.90863 11.5843 12.4757 10.1562 16.4714 8.33063 13.1051 12.2509 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 10.1562 8.33063 16.4714 13.1051 6.54743 11.5843 8.90863 12.4757 12.2509 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 6.54743 8.90863 11.5843 12.4757 5.67502 11.1899 8.7531 11.6311 5.00018 numMergedOcc 0
11 mol 60 unq 3 iso 1 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 5.67502 8.7531 11.1899 11.6311 6.54743 11.5843 8.90863 12.4757 5.00018 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 6.9948 7.97049 6.19965 11.2656 10.7229 11.3023 7.95579 15.309 4.26409 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.7229 7.95579 11.3023 15.309 6.9948 6.19965 7.97049 11.2656 4.26409 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 5.42586 7.97049 7.47541 11.3023 10.1164 11.2656 5.73196 15.309 6.87425 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 10.1164 5.73196 11.2656 15.309 5.42586 7.47541 7.97049 11.3023 6.87425 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 5.88134 12.0662 9.60661 9.35224 7.1752 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 5.33144 10.1409 6.45675 11.8665 7.1752 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 5.88134 12.0662 9.60661 9.35224 14.8365 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 10.1407 14.9102 8.86688 13.6959 14.8365 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 5.88134 12.0662 9.60661 10.5853 7.1752 numMergedOcc 0
21 mol 100 unq 2 iso 1 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 5.33144 10.1409 6.45675 13.912 7.1752 numMergedOcc 0
22 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 5.88134 12.0662 9.60661 10.5853 14.8365 numMergedOcc 0
23 mol 100 unq 3 iso 1 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 10.1407 14.9102 8.86688 18.2109 14.8365 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.33144 6.45675 11.8665 10.1409 5.88134 12.0662 9.35224 9.60661 7.1752 numMergedOcc 0
25 mol 100 unq 4 iso 1 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 5.33144 11.8665 6.45675 10.1409 7.1752 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1407 8.86688 13.6959 14.9102 5.88134 12.0662 9.35224 9.60661 14.8365 numMergedOcc 0
27 mol 100 unq 5 iso 1 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 10.1407 13.6959 8.86688 14.9102 14.8365 numMergedOcc 0
28 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.33144 6.45675 11.8665 13.912 5.88134 12.0662 9.35224 10.5853 7.1752 numMergedOcc 0
29 mol 100 unq 6 iso 1 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 5.88134 9.35224 12.0662 10.5853 5.33144 11.8665 6.45675 13.912 7.1752 numMergedOcc 0
30 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1407 8.86688 13.6959 18.2109 5.88134 12.0662 9.35224 10.5853 14.8365 numMergedOcc 0
31 mol 100 unq 7 iso 1 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 5.88134 9.35224 12.0662 10.5853 10.1407 13.6959 8.86688 18.2109 14.8365 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.52634 7.24514 7.6656 9.91388 6.69554 6.761 9.56949 6.5107 12.0352 9.66421 6.65743 13.4163 8.22656 10.0372 14.2075 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 6.65743 8.22656 13.4163 10.0372 9.56949 12.0352 6.5107 9.66421 14.2075 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 5.00526 11.9139 6.54501 9.5126 11.3271 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 6.81259 12.5075 9.86662 9.71307 11.3271 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 5.00526 9.5126 6.54501 11.9139 11.3271 numMergedOcc 0
37 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 6.81259 12.5075 9.71307 9.86662 11.3271 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 5.49936 8.87437 7.16148 8.05741 7.65448 10.399 8.56324 14.1618 10.6875 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 7.65448 8.56324 10.399 14.1618 5.49936 7.16148 8.87437 8.05741 10.6875 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 5.49936 5.87555 6.70283 8.67331 10.6875 10.399 8.56324 14.1618 7.65448 numMergedOcc 0
41 mol 152 unq 1 iso 1 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 10.6875 8.56324 10.399 14.1618 5.49936 6.70283 5.87555 8.67331 7.65448 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 7.65448 8.56324 14.1618 10.399 5.49936 7.16148 8.05741 8.87437 10.6875 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 5.49936 8.05741 7.16148 8.87437 7.65448 14.1618 8.56324 10.399 10.6875 numMergedOcc 0
44 mol 152 unq 2 iso 0 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 5.42328 5.87555 8.87437 10.399 6.4896 8.67331 8.05741 14.1618 5.54906 numMergedOcc 0
45 mol 152 unq 2 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 6.4896 8.05741 8.67331 14.1618 5.42328 8.87437 5.87555 10.399 5.54906 numMergedOcc 0
46 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 6.4896 8.67331 8.05741 14.1618 5.42328 5.87555 8.87437 10.399 5.54906 numMergedOcc 0
47 mol 152 unq 3 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 5.42328 8.87437 5.87555 10.399 6.4896 8.05741 8.67331 14.1618 5.54906 numMergedOcc 0
48 mol 152 unq 2 iso 0 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 10.6875 8.56324 14.1618 10.399 5.49936 6.70283 8.67331 5.87555 7.65448 numMergedOcc 0
49 mol 152 unq 2 iso 1 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 5.49936 8.67331 6.70283 5.87555 10.6875 14.1618 8.56324 10.399 7.65448 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 13.2049 8.03334 10.7062 14.9794 10.1912 15.0228 9.09537 12.9862 12.8522 numMergedOcc 0
51 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 13.2049 10.7062 8.03334 14.9794 12.8522 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 5.60236 10.5128 5.81334 14.0676 6.91102 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.60236 5.81334 10.5128 14.0676 5.0744 9.16166 6.60589 9.99123 6.91102 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.0744 6.57273 5.78342 10.103 6.91102 10.5128 5.81334 10.9745 5.60236 numMergedOcc 0
55 mol 224 unq 1 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 6.91102 5.81334 10.5128 10.9745 5.0744 5.78342 6.57273 10.103 5.60236 numMergedOcc 0
56 mol 224 unq 1 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 11.5372 8.95269 9.99123 14.0676 11.328 10.103 6.65832 10.9745 10.9861 numMergedOcc 0
57 mol 224 unq 1 iso 1 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 11.328 6.65832 10.103 10.9745 11.5372 9.99123 8.95269 14.0676 10.9861 numMergedOcc 0
58 mol 224 unq 2 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 11.5372 8.95269 9.99123 14.0676 8.49799 6.57273 6.60589 10.5128 4.70378 numMergedOcc 0
59 mol 224 unq 2 iso 1 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 8.49799 6.60589 6.57273 10.5128 11.5372 9.99123 8.95269 14.0676 4.70378 numMergedOcc 0
60 mol 224 unq 3 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 8.49799 6.57273 6.60589 10.5128 11.328 10.103 6.65832 10.9745 6.77699 numMergedOcc 0
61 mol 224 unq 3 iso 1 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 11.328 6.65832 10.103 10.9745 8.49799 6.60589 6.57273 10.5128 6.77699 numMergedOcc 0
62 mol 236 unq 0 iso 0 dist 8.03456 8.35971 14.2337 6.84306 5.79505 14.7998 7.28249 9.81562 11.2141 7.68742 7.43758 15.1853 8.04248 13.5269 12.8967 numMergedOcc 0
63 mol 236 unq 0 iso 1 dist 8.35971 8.03456 14.2337 6.84306 14.7998 5.79505 7.43758 8.04248 15.1853 13.5269 7.28249 11.2141 9.81562 7.68742 12.8967 numMergedOcc 0
64 mol 236 unq 1 iso 0 dist 8.03456 8.35971 14.2337 9.99038 9.90963 10.7497 7.28249 9.81562 11.2141 6.27581 7.43758 15.1853 8.04248 15.7308 12.8967 numMergedOcc 0
65 mol 236 unq 1 iso 1 dist 8.35971 8.03456 14.2337 9.99038 10.7497 9.90963 7.43758 8.04248 15.1853 15.7308 7.28249 11.2141 9.81562 6.27581 12.8967 numMergedOcc 0
66 mol 236 unq 2 iso 0 dist 8.03456 8.35971 14.2337 9.78037 6.96005 12.0369 7.28249 9.81562 11.2141 13.499 7.43758 15.1853 8.04248 14.9122 12.8967 numMergedOcc 0
67 mol 236 unq 2 iso 1 dist 8.35971 8.03456 14.2337 9.78037 12.0369 6.96005 7.43758 8.04248 15.1853 14.9122 7.28249 11.2141 9.81562 13.499 12.8967 numMergedOcc 0
68 mol 236 unq 3 iso 0 dist 6.84306 8.35971 14.7998 8.03456 5.79505 14.2337 7.28249 7.68742 11.2141 9.81562 7.43758 13.5269 8.04248 15.1853 12.8967 numMergedOcc 0
69 mol 236 unq 3 iso 1 dist 8.35971 6.84306 14.7998 8.03456 14.2337 5.79505 7.43758 8.04248 13.5269 15.1853 7.28249 11.2141 7.68742 9.81562 12.8967 numMergedOcc 0
70 mol 236 unq 4 iso 0 dist 6.84306 8.35971 14.7998 9.99038 11.3368 10.7497 7.28249 7.68742 11.2141 6.27581 7.43758 13.5269 8.04248 15.7308 12.8967 numMergedOcc 0
71 mol 236 unq 4 iso 1 dist 8.35971 6.84306 14.7998 9.99038 10.7497 11.3368 7.43758 8.04248 13.5269 15.7308 7.28249 11.2141 7.68742 6.27581 12.8967 numMergedOcc 0
72 mol 236 unq 5 iso 0 dist 6.84306 8.35971 14.7998 9.78037 11.8739 12.0369 7.28249 7.68742 11.2141 13.499 7.43758 13.5269 8.04248 14.9122 12.8967 numMergedOcc 0
73 mol 236 unq 5 iso 1 dist 8.35971 6.84306 14.7998 9.78037 12.0369 11.8739 7.43758 8.04248 13.5269 14.9122 7.28249 11.2141 7.68742 13.499 12.8967 numMergedOcc 0
74 mol 236 unq 6 iso 0 dist 9.99038 8.35971 10.7497 8.03456 9.90963 14.2337 7.28249 6.27581 11.2141 9.81562 7.43758 15.7308 8.04248 15.1853 12.8967 numMergedOcc 0
75 mol 236 unq 6 iso 1 dist 8.35971 9.99038 10.7497 8.03456 14.2337 9.90963 7.43758 8.04248 15.7308 15.1853 7.28249 11.2141 6.27581 9.81562 12.8967 numMergedOcc 0
76 mol 236 unq 7 iso 0 dist 9.99038 8.35971 10.7497 6.84306 11.3368 14.7998 7.28249 6.27581 11.2141 7.68742 7.43758 15.7308 8.04248 13.5269 12.8967 numMergedOcc 0
77 mol 236 unq 7 iso 1 dist 8.35971 9.99038 10.7497 6.84306 14.7998 11.3368 7.43758 8.04248 15.7308 13.5269 7.28249 11.2141 6.27581 7.68742 12.8967 numMergedOcc 0
78 mol 236 unq 8 iso 0 dist 9.99038 8.35971 10.7497 9.78037 11.1557 12.0369 7.28249 6.27581 11.2141 13.499 7.43758 15.7308 8.04248 14.9122 12.8967 numMergedOcc 0
79 mol 236 unq 8 iso 1 dist 8.35971 9.99038 10.7497 9.78037 12.0369 11.1557 7.43758 8.04248 15.7308 14.9122 7.28249 11.2141 6.27581 13.499 12.8967 numMergedOcc 0
