0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 10.8455 6.31718 10.9143 16.4009 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 10.8455 6.31718 16.4009 10.9143 numMergedOcc 0
2 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 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 5.80928 4.51865 11.0366 6.864 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 7.67038 8.4674 10.4091 4.51865 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 7.67038 8.4674 4.51865 10.4091 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 5.03957 7.82074 12.1187 11.0366 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 5.03957 7.82074 11.0366 12.1187 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 7.34551 7.20519 10.4091 12.1187 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 7.34551 7.20519 12.1187 10.4091 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.80928 6.864 4.51865 11.0366 numMergedOcc 0
11 mol 19 unq 4 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.80928 6.864 11.0366 4.51865 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 7.67038 4.51865 10.4091 8.4674 numMergedOcc 0
13 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.67038 4.51865 8.4674 10.4091 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 numMergedOcc 0
15 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.13395 8.80331 14.7803 10.5523 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 numMergedOcc 0
17 mol 58 unq 0 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 numMergedOcc 0
18 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.25513 8.19458 6.40295 10.0246 6.85766 17.79 14.0127 numMergedOcc 0
19 mol 59 unq 0 iso 1 dist 7.71095 8.25513 8.19458 8.84665 12.5396 6.40295 10.0246 6.85766 14.0127 17.79 numMergedOcc 0
20 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 6.43294 10.6819 11.3621 6.54743 8.90863 10.0828 11.5843 numMergedOcc 0
21 mol 60 unq 0 iso 1 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 6.54743 8.90863 11.5843 10.0828 numMergedOcc 0
22 mol 60 unq 1 iso 0 dist 6.65595 9.25011 4.73512 8.52121 8.93946 7.66664 6.54743 8.90863 10.0828 12.4757 numMergedOcc 0
23 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 9.25011 4.73512 7.66664 6.54743 8.90863 12.4757 10.0828 numMergedOcc 0
24 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 6.54743 8.90863 11.5843 12.4757 numMergedOcc 0
25 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 6.43294 10.6819 5.51199 6.54743 8.90863 12.4757 11.5843 numMergedOcc 0
26 mol 60 unq 2 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 10.1562 8.33063 16.4714 17.3965 numMergedOcc 0
27 mol 60 unq 2 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 10.1562 8.33063 17.3965 16.4714 numMergedOcc 0
28 mol 60 unq 3 iso 0 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 5.67502 8.7531 11.1899 12.4656 numMergedOcc 0
29 mol 60 unq 3 iso 1 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 5.67502 8.7531 12.4656 11.1899 numMergedOcc 0
30 mol 60 unq 4 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 10.1562 8.33063 16.4714 13.1051 numMergedOcc 0
31 mol 60 unq 4 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 10.1562 8.33063 13.1051 16.4714 numMergedOcc 0
32 mol 60 unq 5 iso 0 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 5.67502 8.7531 11.1899 11.6311 numMergedOcc 0
33 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 5.67502 8.7531 11.6311 11.1899 numMergedOcc 0
34 mol 60 unq 4 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 10.1562 8.33063 17.3965 13.1051 numMergedOcc 0
35 mol 60 unq 4 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 10.1562 8.33063 13.1051 17.3965 numMergedOcc 0
36 mol 60 unq 5 iso 0 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 5.67502 8.7531 12.4656 11.6311 numMergedOcc 0
37 mol 60 unq 5 iso 1 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 5.67502 8.7531 11.6311 12.4656 numMergedOcc 0
38 mol 60 unq 6 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 10.6819 6.65595 16.4714 11.1899 numMergedOcc 0
39 mol 60 unq 6 iso 1 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 10.6819 6.65595 11.1899 16.4714 numMergedOcc 0
40 mol 60 unq 7 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 11.3621 9.25011 17.3965 12.4656 numMergedOcc 0
41 mol 60 unq 7 iso 1 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 11.3621 9.25011 12.4656 17.3965 numMergedOcc 0
42 mol 60 unq 8 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 5.51199 8.52121 13.1051 11.6311 numMergedOcc 0
43 mol 60 unq 8 iso 1 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 5.51199 8.52121 11.6311 13.1051 numMergedOcc 0
44 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 5.4148 6.19304 10.2049 11.6369 numMergedOcc 0
45 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 5.4148 6.19304 11.6369 10.2049 numMergedOcc 0
46 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 14.9342 8.70481 20.257 10.1207 numMergedOcc 0
47 mol 73 unq 1 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 14.9342 8.70481 10.1207 20.257 numMergedOcc 0
48 mol 73 unq 2 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 numMergedOcc 0
49 mol 73 unq 2 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 numMergedOcc 0
50 mol 73 unq 3 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 numMergedOcc 0
51 mol 73 unq 3 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 numMergedOcc 0
52 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 numMergedOcc 0
53 mol 85 unq 0 iso 1 dist 7.47541 5.73196 6.87425 7.66905 5.42586 10.1164 6.9948 7.97049 11.2656 6.19965 numMergedOcc 0
54 mol 85 unq 1 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 5.42586 7.97049 11.3023 7.47541 numMergedOcc 0
55 mol 85 unq 1 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 5.42586 7.97049 7.47541 11.3023 numMergedOcc 0
56 mol 85 unq 2 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.7229 7.95579 11.3023 15.309 numMergedOcc 0
57 mol 85 unq 2 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 10.7229 7.95579 15.309 11.3023 numMergedOcc 0
58 mol 85 unq 3 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 6.9948 6.19965 7.97049 11.2656 numMergedOcc 0
59 mol 85 unq 3 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 6.9948 6.19965 11.2656 7.97049 numMergedOcc 0
60 mol 85 unq 4 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 5.42586 7.47541 11.3023 7.97049 numMergedOcc 0
61 mol 85 unq 4 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 5.42586 7.47541 7.97049 11.3023 numMergedOcc 0
62 mol 85 unq 5 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 10.1164 5.73196 15.309 11.2656 numMergedOcc 0
63 mol 85 unq 5 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 10.1164 5.73196 11.2656 15.309 numMergedOcc 0
64 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 8.41707 7.27724 16.9836 16.9811 numMergedOcc 0
65 mol 95 unq 0 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 8.41707 7.27724 16.9811 16.9836 numMergedOcc 0
66 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 9.35224 7.80879 8.87654 5.88134 6.65086 10.5134 6.56369 numMergedOcc 0
67 mol 100 unq 0 iso 1 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 5.88134 6.65086 6.56369 10.5134 numMergedOcc 0
68 mol 100 unq 1 iso 0 dist 9.35224 9.60661 7.80879 7.17106 8.87654 11.5403 5.88134 6.56369 6.65086 10.5134 numMergedOcc 0
69 mol 100 unq 1 iso 1 dist 9.35224 7.17106 8.87654 9.60661 7.80879 11.5403 5.88134 6.56369 10.5134 6.65086 numMergedOcc 0
70 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 8.8807 6.65086 10.1409 14.9102 numMergedOcc 0
71 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 8.8807 6.65086 14.9102 10.1409 numMergedOcc 0
72 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 12.6515 6.56369 11.8665 13.6959 numMergedOcc 0
73 mol 100 unq 3 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 12.6515 6.56369 13.6959 11.8665 numMergedOcc 0
74 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 13.887 9.30209 13.912 18.2109 numMergedOcc 0
75 mol 100 unq 4 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 13.887 9.30209 18.2109 13.912 numMergedOcc 0
76 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 numMergedOcc 0
77 mol 100 unq 5 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.33144 6.45675 11.8665 10.1409 numMergedOcc 0
78 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 numMergedOcc 0
79 mol 100 unq 6 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1407 8.86688 13.6959 14.9102 numMergedOcc 0
80 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 numMergedOcc 0
81 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 5.33144 6.45675 13.912 10.1409 numMergedOcc 0
82 mol 100 unq 8 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 numMergedOcc 0
83 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1407 8.86688 18.2109 14.9102 numMergedOcc 0
84 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.33144 6.45675 11.8665 13.912 numMergedOcc 0
85 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 5.33144 6.45675 13.912 11.8665 numMergedOcc 0
86 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1407 8.86688 13.6959 18.2109 numMergedOcc 0
87 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1407 8.86688 18.2109 13.6959 numMergedOcc 0
88 mol 100 unq 9 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 numMergedOcc 0
89 mol 100 unq 9 iso 1 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 5.88134 9.60661 9.35224 12.0662 numMergedOcc 0
90 mol 100 unq 10 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 numMergedOcc 0
91 mol 100 unq 10 iso 1 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 5.88134 9.60661 10.5853 12.0662 numMergedOcc 0
92 mol 100 unq 10 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 5.88134 9.60661 9.35224 10.5853 numMergedOcc 0
93 mol 100 unq 10 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 5.88134 9.60661 10.5853 9.35224 numMergedOcc 0
94 mol 100 unq 11 iso 0 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 numMergedOcc 0
95 mol 100 unq 11 iso 1 dist 6.56369 6.65086 7.80879 7.47343 12.6515 8.8807 5.88134 9.35224 9.60661 12.0662 numMergedOcc 0
96 mol 100 unq 12 iso 0 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 5.88134 9.35224 12.0662 10.5853 numMergedOcc 0
97 mol 100 unq 12 iso 1 dist 6.56369 9.30209 6.39938 7.47343 12.6515 13.887 5.88134 9.35224 10.5853 12.0662 numMergedOcc 0
98 mol 100 unq 12 iso 0 dist 6.56369 6.65086 7.80879 9.30209 6.39938 5.38414 5.88134 9.35224 9.60661 10.5853 numMergedOcc 0
99 mol 100 unq 12 iso 1 dist 6.56369 9.30209 6.39938 6.65086 7.80879 5.38414 5.88134 9.35224 10.5853 9.60661 numMergedOcc 0
100 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69052 9.33865 13.8473 6.11741 numMergedOcc 0
101 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69052 9.33865 6.11741 13.8473 numMergedOcc 0
102 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69052 6.11741 13.8473 9.33865 numMergedOcc 0
103 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 numMergedOcc 0
104 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 13.1058 9.84395 16.5575 17.163 numMergedOcc 0
105 mol 117 unq 0 iso 1 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 13.1058 9.84395 17.163 16.5575 numMergedOcc 0
106 mol 133 unq 0 iso 0 dist 9.52634 9.91388 6.69554 7.24514 7.6656 6.761 9.56949 6.5107 9.66421 12.0352 numMergedOcc 0
107 mol 133 unq 0 iso 1 dist 9.52634 7.24514 7.6656 9.91388 6.69554 6.761 9.56949 6.5107 12.0352 9.66421 numMergedOcc 0
108 mol 133 unq 1 iso 0 dist 7.24514 9.91388 6.761 9.52634 7.6656 6.69554 6.65743 8.22656 10.0372 13.4163 numMergedOcc 0
109 mol 133 unq 1 iso 1 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 6.65743 8.22656 13.4163 10.0372 numMergedOcc 0
110 mol 133 unq 2 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 8.18495 7.11802 13.268 12.6651 numMergedOcc 0
111 mol 133 unq 2 iso 1 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 8.18495 7.11802 12.6651 13.268 numMergedOcc 0
112 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 numMergedOcc 0
113 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 numMergedOcc 0
114 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 numMergedOcc 0
115 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 numMergedOcc 0
116 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 numMergedOcc 0
117 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 numMergedOcc 0
118 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 5.32922 5.31024 7.26382 11.0824 numMergedOcc 0
119 mol 142 unq 0 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 5.32922 5.31024 11.0824 7.26382 numMergedOcc 0
120 mol 142 unq 1 iso 0 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 5.32922 7.26382 5.31024 11.0824 numMergedOcc 0
121 mol 142 unq 1 iso 1 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 5.32922 7.26382 11.0824 5.31024 numMergedOcc 0
122 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 numMergedOcc 0
123 mol 152 unq 0 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 5.49936 8.87437 8.05741 7.16148 numMergedOcc 0
124 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 numMergedOcc 0
125 mol 152 unq 1 iso 1 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 5.49936 5.87555 8.67331 6.70283 numMergedOcc 0
126 mol 152 unq 2 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 7.65448 8.56324 10.399 14.1618 numMergedOcc 0
127 mol 152 unq 2 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 7.65448 8.56324 14.1618 10.399 numMergedOcc 0
128 mol 152 unq 3 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 5.49936 7.16148 8.87437 8.05741 numMergedOcc 0
129 mol 152 unq 3 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 5.49936 7.16148 8.05741 8.87437 numMergedOcc 0
130 mol 152 unq 4 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.42328 5.87555 10.399 8.87437 numMergedOcc 0
131 mol 152 unq 4 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 5.42328 5.87555 8.87437 10.399 numMergedOcc 0
132 mol 152 unq 5 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 6.4896 8.67331 14.1618 8.05741 numMergedOcc 0
133 mol 152 unq 5 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 6.4896 8.67331 8.05741 14.1618 numMergedOcc 0
134 mol 152 unq 6 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 10.6875 8.56324 10.399 14.1618 numMergedOcc 0
135 mol 152 unq 6 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 10.6875 8.56324 14.1618 10.399 numMergedOcc 0
136 mol 152 unq 7 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 5.49936 6.70283 5.87555 8.67331 numMergedOcc 0
137 mol 152 unq 7 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 5.49936 6.70283 8.67331 5.87555 numMergedOcc 0
138 mol 152 unq 8 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 5.42328 8.87437 10.399 5.87555 numMergedOcc 0
139 mol 152 unq 8 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 5.42328 8.87437 5.87555 10.399 numMergedOcc 0
140 mol 152 unq 9 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 6.4896 8.05741 14.1618 8.67331 numMergedOcc 0
141 mol 152 unq 9 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 6.4896 8.05741 8.67331 14.1618 numMergedOcc 0
142 mol 152 unq 10 iso 0 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 5.49936 8.05741 8.87437 7.16148 numMergedOcc 0
143 mol 152 unq 10 iso 1 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 5.49936 8.05741 7.16148 8.87437 numMergedOcc 0
144 mol 152 unq 11 iso 0 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 5.49936 8.67331 5.87555 6.70283 numMergedOcc 0
145 mol 152 unq 11 iso 1 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 5.49936 8.67331 6.70283 5.87555 numMergedOcc 0
146 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 9.83699 11.2719 8.38403 10.1658 7.66148 12.0598 15.1382 numMergedOcc 0
147 mol 156 unq 0 iso 1 dist 8.94056 9.83699 11.2719 7.44554 5.56175 8.38403 10.1658 7.66148 15.1382 12.0598 numMergedOcc 0
148 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 6.57069 8.16421 5.35493 7.42466 7.652 9.92231 10.2623 numMergedOcc 0
149 mol 175 unq 0 iso 1 dist 9.0018 6.57069 8.16421 5.6234 6.2715 5.35493 7.42466 7.652 10.2623 9.92231 numMergedOcc 0
150 mol 175 unq 1 iso 0 dist 5.6234 9.0018 6.2715 6.57069 5.35493 8.16421 7.42466 9.92231 7.652 10.2623 numMergedOcc 0
151 mol 175 unq 1 iso 1 dist 5.6234 6.57069 5.35493 9.0018 6.2715 8.16421 7.42466 9.92231 10.2623 7.652 numMergedOcc 0
152 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 numMergedOcc 0
153 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 13.2049 8.03334 14.9794 10.7062 numMergedOcc 0
154 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 numMergedOcc 0
155 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.1912 9.09537 12.9862 15.0228 numMergedOcc 0
156 mol 186 unq 0 iso 0 dist 8.87694 9.70748 14.9058 7.54065 5.74635 13.8792 9.50685 9.09754 18.6929 10.7914 numMergedOcc 0
157 mol 186 unq 0 iso 1 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 9.50685 9.09754 10.7914 18.6929 numMergedOcc 0
158 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.0744 6.60589 9.99123 9.16166 numMergedOcc 0
159 mol 224 unq 0 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 numMergedOcc 0
160 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.0744 6.57273 10.103 5.78342 numMergedOcc 0
161 mol 224 unq 1 iso 1 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.0744 6.57273 5.78342 10.103 numMergedOcc 0
162 mol 224 unq 2 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.0744 9.16166 9.99123 6.60589 numMergedOcc 0
163 mol 224 unq 2 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.0744 9.16166 6.60589 9.99123 numMergedOcc 0
164 mol 224 unq 3 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.60236 5.81334 14.0676 10.5128 numMergedOcc 0
165 mol 224 unq 3 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.60236 5.81334 10.5128 14.0676 numMergedOcc 0
166 mol 224 unq 4 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 11.5372 8.95269 9.99123 14.0676 numMergedOcc 0
167 mol 224 unq 4 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 11.5372 8.95269 14.0676 9.99123 numMergedOcc 0
168 mol 224 unq 5 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 8.49799 6.57273 6.60589 10.5128 numMergedOcc 0
169 mol 224 unq 5 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 8.49799 6.57273 10.5128 6.60589 numMergedOcc 0
170 mol 224 unq 6 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 5.0744 5.78342 10.103 6.57273 numMergedOcc 0
171 mol 224 unq 6 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.0744 5.78342 6.57273 10.103 numMergedOcc 0
172 mol 224 unq 7 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 6.91102 5.81334 10.9745 10.5128 numMergedOcc 0
173 mol 224 unq 7 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 6.91102 5.81334 10.5128 10.9745 numMergedOcc 0
174 mol 224 unq 8 iso 0 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 11.328 6.65832 10.103 10.9745 numMergedOcc 0
175 mol 224 unq 8 iso 1 dist 9.16166 5.81334 6.91102 5.78342 5.0744 5.60236 11.328 6.65832 10.9745 10.103 numMergedOcc 0
176 mol 224 unq 9 iso 0 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 8.49799 6.60589 6.57273 10.5128 numMergedOcc 0
177 mol 224 unq 9 iso 1 dist 9.16166 5.81334 6.91102 5.78342 5.0744 5.60236 8.49799 6.60589 10.5128 6.57273 numMergedOcc 0
178 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 4.39704 7.09863 10.4905 10.8157 numMergedOcc 0
179 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 4.39704 7.09863 10.8157 10.4905 numMergedOcc 0
180 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 4.39704 7.09863 10.4905 11.0431 numMergedOcc 0
181 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 4.39704 7.09863 11.0431 10.4905 numMergedOcc 0
182 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 4.39704 7.09863 10.4905 10.0334 numMergedOcc 0
183 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 4.39704 7.09863 10.0334 10.4905 numMergedOcc 0
184 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 4.39704 7.09863 10.8157 11.0431 numMergedOcc 0
185 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 4.39704 7.09863 11.0431 10.8157 numMergedOcc 0
186 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 4.39704 7.09863 10.8157 10.0334 numMergedOcc 0
187 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 4.39704 7.09863 10.0334 10.8157 numMergedOcc 0
188 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 4.39704 7.09863 11.0431 10.0334 numMergedOcc 0
189 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 4.39704 7.09863 10.0334 11.0431 numMergedOcc 0
190 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 9.36357 7.82322 12.1694 5.88703 9.45496 12.9605 6.7625 numMergedOcc 0
191 mol 234 unq 0 iso 1 dist 6.56247 9.36357 7.82322 8.34494 6.29886 12.1694 5.88703 9.45496 6.7625 12.9605 numMergedOcc 0
192 mol 234 unq 1 iso 0 dist 9.36357 8.34494 12.1694 6.56247 7.82322 6.29886 5.88703 6.7625 12.9605 9.45496 numMergedOcc 0
193 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 8.34494 12.1694 6.29886 5.88703 6.7625 9.45496 12.9605 numMergedOcc 0
194 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 9.99038 9.90963 11.3368 7.28249 9.81562 7.68742 6.27581 numMergedOcc 0
195 mol 236 unq 0 iso 1 dist 8.03456 9.99038 9.90963 6.84306 5.79505 11.3368 7.28249 9.81562 6.27581 7.68742 numMergedOcc 0
196 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 9.78037 6.96005 11.8739 7.28249 9.81562 7.68742 13.499 numMergedOcc 0
197 mol 236 unq 1 iso 1 dist 8.03456 9.78037 6.96005 6.84306 5.79505 11.8739 7.28249 9.81562 13.499 7.68742 numMergedOcc 0
198 mol 236 unq 2 iso 0 dist 8.03456 6.84306 5.79505 8.35971 14.2337 14.7998 7.28249 9.81562 7.68742 11.2141 numMergedOcc 0
199 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 6.84306 5.79505 14.7998 7.28249 9.81562 11.2141 7.68742 numMergedOcc 0
200 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 9.78037 6.96005 11.1557 7.28249 9.81562 6.27581 13.499 numMergedOcc 0
201 mol 236 unq 1 iso 1 dist 8.03456 9.78037 6.96005 9.99038 9.90963 11.1557 7.28249 9.81562 13.499 6.27581 numMergedOcc 0
202 mol 236 unq 2 iso 0 dist 8.03456 9.99038 9.90963 8.35971 14.2337 10.7497 7.28249 9.81562 6.27581 11.2141 numMergedOcc 0
203 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.99038 9.90963 10.7497 7.28249 9.81562 11.2141 6.27581 numMergedOcc 0
204 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 8.35971 14.2337 12.0369 7.28249 9.81562 13.499 11.2141 numMergedOcc 0
205 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.78037 6.96005 12.0369 7.28249 9.81562 11.2141 13.499 numMergedOcc 0
206 mol 236 unq 3 iso 0 dist 6.84306 8.03456 5.79505 9.99038 11.3368 9.90963 7.28249 7.68742 9.81562 6.27581 numMergedOcc 0
207 mol 236 unq 3 iso 1 dist 6.84306 9.99038 11.3368 8.03456 5.79505 9.90963 7.28249 7.68742 6.27581 9.81562 numMergedOcc 0
208 mol 236 unq 4 iso 0 dist 6.84306 8.03456 5.79505 9.78037 11.8739 6.96005 7.28249 7.68742 9.81562 13.499 numMergedOcc 0
209 mol 236 unq 4 iso 1 dist 6.84306 9.78037 11.8739 8.03456 5.79505 6.96005 7.28249 7.68742 13.499 9.81562 numMergedOcc 0
210 mol 236 unq 5 iso 0 dist 6.84306 8.03456 5.79505 8.35971 14.7998 14.2337 7.28249 7.68742 9.81562 11.2141 numMergedOcc 0
211 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 8.03456 5.79505 14.2337 7.28249 7.68742 11.2141 9.81562 numMergedOcc 0
212 mol 236 unq 4 iso 0 dist 6.84306 9.99038 11.3368 9.78037 11.8739 11.1557 7.28249 7.68742 6.27581 13.499 numMergedOcc 0
213 mol 236 unq 4 iso 1 dist 6.84306 9.78037 11.8739 9.99038 11.3368 11.1557 7.28249 7.68742 13.499 6.27581 numMergedOcc 0
214 mol 236 unq 5 iso 0 dist 6.84306 9.99038 11.3368 8.35971 14.7998 10.7497 7.28249 7.68742 6.27581 11.2141 numMergedOcc 0
215 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 9.99038 11.3368 10.7497 7.28249 7.68742 11.2141 6.27581 numMergedOcc 0
216 mol 236 unq 5 iso 0 dist 6.84306 9.78037 11.8739 8.35971 14.7998 12.0369 7.28249 7.68742 13.499 11.2141 numMergedOcc 0
217 mol 236 unq 5 iso 1 dist 6.84306 8.35971 14.7998 9.78037 11.8739 12.0369 7.28249 7.68742 11.2141 13.499 numMergedOcc 0
218 mol 236 unq 6 iso 0 dist 9.99038 8.03456 9.90963 6.84306 11.3368 5.79505 7.28249 6.27581 9.81562 7.68742 numMergedOcc 0
219 mol 236 unq 6 iso 1 dist 9.99038 6.84306 11.3368 8.03456 9.90963 5.79505 7.28249 6.27581 7.68742 9.81562 numMergedOcc 0
220 mol 236 unq 7 iso 0 dist 9.99038 8.03456 9.90963 9.78037 11.1557 6.96005 7.28249 6.27581 9.81562 13.499 numMergedOcc 0
221 mol 236 unq 7 iso 1 dist 9.99038 9.78037 11.1557 8.03456 9.90963 6.96005 7.28249 6.27581 13.499 9.81562 numMergedOcc 0
222 mol 236 unq 8 iso 0 dist 9.99038 8.03456 9.90963 8.35971 10.7497 14.2337 7.28249 6.27581 9.81562 11.2141 numMergedOcc 0
223 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 8.03456 9.90963 14.2337 7.28249 6.27581 11.2141 9.81562 numMergedOcc 0
224 mol 236 unq 7 iso 0 dist 9.99038 6.84306 11.3368 9.78037 11.1557 11.8739 7.28249 6.27581 7.68742 13.499 numMergedOcc 0
225 mol 236 unq 7 iso 1 dist 9.99038 9.78037 11.1557 6.84306 11.3368 11.8739 7.28249 6.27581 13.499 7.68742 numMergedOcc 0
226 mol 236 unq 8 iso 0 dist 9.99038 6.84306 11.3368 8.35971 10.7497 14.7998 7.28249 6.27581 7.68742 11.2141 numMergedOcc 0
227 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 6.84306 11.3368 14.7998 7.28249 6.27581 11.2141 7.68742 numMergedOcc 0
228 mol 236 unq 8 iso 0 dist 9.99038 9.78037 11.1557 8.35971 10.7497 12.0369 7.28249 6.27581 13.499 11.2141 numMergedOcc 0
229 mol 236 unq 8 iso 1 dist 9.99038 8.35971 10.7497 9.78037 11.1557 12.0369 7.28249 6.27581 11.2141 13.499 numMergedOcc 0
230 mol 236 unq 9 iso 0 dist 8.35971 8.03456 14.2337 6.84306 14.7998 5.79505 7.43758 8.04248 15.1853 13.5269 numMergedOcc 0
231 mol 236 unq 9 iso 1 dist 8.35971 6.84306 14.7998 8.03456 14.2337 5.79505 7.43758 8.04248 13.5269 15.1853 numMergedOcc 0
232 mol 236 unq 10 iso 0 dist 8.35971 8.03456 14.2337 9.99038 10.7497 9.90963 7.43758 8.04248 15.1853 15.7308 numMergedOcc 0
233 mol 236 unq 10 iso 1 dist 8.35971 9.99038 10.7497 8.03456 14.2337 9.90963 7.43758 8.04248 15.7308 15.1853 numMergedOcc 0
234 mol 236 unq 11 iso 0 dist 8.35971 8.03456 14.2337 9.78037 12.0369 6.96005 7.43758 8.04248 15.1853 14.9122 numMergedOcc 0
235 mol 236 unq 11 iso 1 dist 8.35971 9.78037 12.0369 8.03456 14.2337 6.96005 7.43758 8.04248 14.9122 15.1853 numMergedOcc 0
236 mol 236 unq 10 iso 0 dist 8.35971 6.84306 14.7998 9.99038 10.7497 11.3368 7.43758 8.04248 13.5269 15.7308 numMergedOcc 0
237 mol 236 unq 10 iso 1 dist 8.35971 9.99038 10.7497 6.84306 14.7998 11.3368 7.43758 8.04248 15.7308 13.5269 numMergedOcc 0
238 mol 236 unq 11 iso 0 dist 8.35971 6.84306 14.7998 9.78037 12.0369 11.8739 7.43758 8.04248 13.5269 14.9122 numMergedOcc 0
239 mol 236 unq 11 iso 1 dist 8.35971 9.78037 12.0369 6.84306 14.7998 11.8739 7.43758 8.04248 14.9122 13.5269 numMergedOcc 0
240 mol 236 unq 11 iso 0 dist 8.35971 9.99038 10.7497 9.78037 12.0369 11.1557 7.43758 8.04248 15.7308 14.9122 numMergedOcc 0
241 mol 236 unq 11 iso 1 dist 8.35971 9.78037 12.0369 9.99038 10.7497 11.1557 7.43758 8.04248 14.9122 15.7308 numMergedOcc 0
242 mol 236 unq 12 iso 0 dist 9.81562 7.68742 5.79505 6.27581 9.90963 11.3368 7.28249 8.03456 6.84306 9.99038 numMergedOcc 0
243 mol 236 unq 12 iso 1 dist 9.81562 6.27581 9.90963 7.68742 5.79505 11.3368 7.28249 8.03456 9.99038 6.84306 numMergedOcc 0
244 mol 236 unq 13 iso 0 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 7.28249 6.84306 8.03456 9.99038 numMergedOcc 0
245 mol 236 unq 13 iso 1 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 7.28249 6.84306 9.99038 8.03456 numMergedOcc 0
246 mol 236 unq 14 iso 0 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 7.28249 9.99038 8.03456 6.84306 numMergedOcc 0
247 mol 236 unq 14 iso 1 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 7.28249 9.99038 6.84306 8.03456 numMergedOcc 0
248 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 6.0987 8.1148 8.1715 10.5136 numMergedOcc 0
249 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 numMergedOcc 0
250 mol 252 unq 1 iso 0 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 6.0987 8.1715 8.1148 10.5136 numMergedOcc 0
251 mol 252 unq 1 iso 1 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 6.0987 8.1715 10.5136 8.1148 numMergedOcc 0
252 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 4.69778 8.13497 9.95973 10.3935 numMergedOcc 0
253 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 numMergedOcc 0
254 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 4.69778 8.13497 9.95973 12.6839 numMergedOcc 0
255 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 4.69778 8.13497 12.6839 9.95973 numMergedOcc 0
256 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 numMergedOcc 0
257 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 4.69778 8.13497 12.6839 10.3935 numMergedOcc 0
258 mol 261 unq 0 iso 0 dist 8.43057 8.02547 10.0727 6.05727 4.63549 5.51688 10.1239 7.73141 14.2688 10.0703 numMergedOcc 0
259 mol 261 unq 0 iso 1 dist 8.43057 6.05727 4.63549 8.02547 10.0727 5.51688 10.1239 7.73141 10.0703 14.2688 numMergedOcc 0
