0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 6.92781 5.05803 12.5273 5.32694 10.9143 5.46498 10.7015 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 5.32694 5.46498 10.9143 6.92781 12.5273 5.05803 10.7015 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.31718 7.63133 10.8455 6.92781 5.05803 12.5273 10.4155 16.4009 8.71745 16.241 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.63133 6.31718 10.8455 10.4155 8.71745 16.4009 6.92781 12.5273 5.05803 16.241 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 10.3915 7.82074 11.0366 7.67038 4.54938 6.864 5.03957 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 4.51865 8.4674 5.80928 7.67038 6.864 4.54938 10.3915 11.0366 7.82074 5.03957 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 7.34551 10.4091 7.20519 7.07775 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 8.4674 7.67038 7.34551 7.20519 10.4091 5.80928 6.864 4.51865 7.07775 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 5.03957 7.82074 11.0366 7.67038 8.4674 4.51865 10.3915 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 7.67038 4.51865 8.4674 5.03957 11.0366 7.82074 10.3915 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 7.07775 10.4091 7.20519 7.34551 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 6.864 4.51865 7.67038 7.07775 7.20519 10.4091 5.80928 4.54938 8.4674 7.34551 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 9.7274 15.2973 6.81627 15.6564 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.7274 6.81627 15.2973 6.47414 13.4544 6.64012 15.6564 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 5.90225 11.396 7.32874 11.0466 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 9.55426 9.4099 10.6169 5.90225 7.32874 11.396 6.47414 13.4544 6.64012 11.0466 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 6.65595 6.43294 10.6819 6.54743 8.90863 11.5843 10.1562 16.4714 8.33063 12.2509 numMergedOcc 0
17 mol 60 unq 0 iso 1 dist 6.43294 6.65595 10.6819 10.1562 8.33063 16.4714 6.54743 11.5843 8.90863 12.2509 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 6.54743 8.90863 11.5843 5.67502 11.1899 8.7531 5.00018 numMergedOcc 0
19 mol 60 unq 1 iso 1 dist 6.43294 6.65595 10.6819 5.67502 8.7531 11.1899 6.54743 11.5843 8.90863 5.00018 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 6.9948 7.47541 7.66905 4.26409 11.3023 7.95579 10.7229 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 4.26409 7.95579 11.3023 6.9948 7.66905 7.47541 10.7229 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.97049 7.47541 6.9948 5.42586 6.19965 7.66905 6.87425 11.2656 5.73196 10.1164 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 7.47541 7.97049 6.9948 6.87425 5.73196 11.2656 5.42586 7.66905 6.19965 10.1164 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 6.9948 7.97049 6.19965 10.7229 11.3023 7.95579 4.26409 numMergedOcc 0
25 mol 85 unq 2 iso 1 dist 7.66905 7.47541 5.42586 10.7229 7.95579 11.3023 6.9948 6.19965 7.97049 4.26409 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 5.42586 7.97049 7.47541 10.1164 11.2656 5.73196 6.87425 numMergedOcc 0
27 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 10.1164 5.73196 11.2656 5.42586 7.47541 7.97049 6.87425 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 11.5403 7.17106 10.5134 8.8807 12.0662 7.47343 17.5254 numMergedOcc 0
29 mol 100 unq 0 iso 1 dist 6.65086 9.60661 5.88134 8.8807 7.47343 12.0662 11.5403 10.5134 7.17106 17.5254 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 11.5403 7.17106 10.5134 7.80879 9.35224 6.56369 8.87654 numMergedOcc 0
31 mol 100 unq 1 iso 1 dist 6.65086 9.60661 5.88134 7.80879 6.56369 9.35224 11.5403 10.5134 7.17106 8.87654 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 9.60661 6.65086 5.88134 11.5403 7.17106 10.5134 5.38414 10.5853 9.30209 8.7812 numMergedOcc 0
33 mol 100 unq 2 iso 1 dist 6.65086 9.60661 5.88134 5.38414 9.30209 10.5853 11.5403 10.5134 7.17106 8.7812 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 9.60661 6.65086 5.88134 7.80879 9.35224 6.56369 8.8807 12.0662 7.47343 12.6515 numMergedOcc 0
35 mol 100 unq 3 iso 1 dist 6.65086 9.60661 5.88134 8.8807 7.47343 12.0662 7.80879 6.56369 9.35224 12.6515 numMergedOcc 0
36 mol 100 unq 4 iso 0 dist 9.60661 6.65086 5.88134 7.80879 9.35224 6.56369 5.38414 10.5853 9.30209 6.39938 numMergedOcc 0
37 mol 100 unq 4 iso 1 dist 6.65086 9.60661 5.88134 5.38414 9.30209 10.5853 7.80879 6.56369 9.35224 6.39938 numMergedOcc 0
38 mol 100 unq 5 iso 0 dist 9.35224 6.56369 5.88134 7.80879 9.60661 6.65086 12.6515 12.0662 7.47343 8.8807 numMergedOcc 0
39 mol 100 unq 5 iso 1 dist 6.56369 9.35224 5.88134 12.6515 7.47343 12.0662 7.80879 6.65086 9.60661 8.8807 numMergedOcc 0
40 mol 100 unq 6 iso 0 dist 9.35224 6.56369 5.88134 7.80879 9.60661 6.65086 6.39938 10.5853 9.30209 5.38414 numMergedOcc 0
41 mol 100 unq 6 iso 1 dist 6.56369 9.35224 5.88134 6.39938 9.30209 10.5853 7.80879 6.65086 9.60661 5.38414 numMergedOcc 0
42 mol 100 unq 7 iso 0 dist 9.35224 6.56369 5.88134 8.87654 7.17106 10.5134 12.6515 12.0662 7.47343 17.5254 numMergedOcc 0
43 mol 100 unq 7 iso 1 dist 6.56369 9.35224 5.88134 12.6515 7.47343 12.0662 8.87654 10.5134 7.17106 17.5254 numMergedOcc 0
44 mol 100 unq 8 iso 0 dist 9.35224 6.56369 5.88134 8.87654 7.17106 10.5134 7.80879 9.60661 6.65086 11.5403 numMergedOcc 0
45 mol 100 unq 8 iso 1 dist 6.56369 9.35224 5.88134 7.80879 6.65086 9.60661 8.87654 10.5134 7.17106 11.5403 numMergedOcc 0
46 mol 100 unq 9 iso 0 dist 9.35224 6.56369 5.88134 8.87654 7.17106 10.5134 6.39938 10.5853 9.30209 8.7812 numMergedOcc 0
47 mol 100 unq 9 iso 1 dist 6.56369 9.35224 5.88134 6.39938 9.30209 10.5853 8.87654 10.5134 7.17106 8.7812 numMergedOcc 0
48 mol 100 unq 10 iso 0 dist 7.47343 6.65086 8.8807 5.33144 6.45675 10.1409 5.88134 12.0662 9.60661 7.1752 numMergedOcc 0
49 mol 100 unq 10 iso 1 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 5.33144 10.1409 6.45675 7.1752 numMergedOcc 0
50 mol 100 unq 11 iso 0 dist 7.47343 6.65086 8.8807 10.1407 8.86688 14.9102 5.88134 12.0662 9.60661 14.8365 numMergedOcc 0
51 mol 100 unq 11 iso 1 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 10.1407 14.9102 8.86688 14.8365 numMergedOcc 0
52 mol 100 unq 12 iso 0 dist 7.47343 6.56369 12.6515 5.33144 6.45675 11.8665 5.88134 12.0662 9.35224 7.1752 numMergedOcc 0
53 mol 100 unq 12 iso 1 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 5.33144 11.8665 6.45675 7.1752 numMergedOcc 0
54 mol 100 unq 13 iso 0 dist 7.47343 6.56369 12.6515 10.1407 8.86688 13.6959 5.88134 12.0662 9.35224 14.8365 numMergedOcc 0
55 mol 100 unq 13 iso 1 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 10.1407 13.6959 8.86688 14.8365 numMergedOcc 0
56 mol 115 unq 0 iso 0 dist 9.33865 5.83991 7.69052 8.02349 6.11741 7.88312 10.8507 13.8473 7.30858 11.5723 numMergedOcc 0
57 mol 115 unq 0 iso 1 dist 5.83991 9.33865 7.69052 10.8507 7.30858 13.8473 8.02349 7.88312 6.11741 11.5723 numMergedOcc 0
58 mol 115 unq 1 iso 0 dist 6.11741 7.88312 7.69052 8.02349 9.33865 5.83991 11.5723 13.8473 7.30858 10.8507 numMergedOcc 0
59 mol 115 unq 1 iso 1 dist 7.88312 6.11741 7.69052 11.5723 7.30858 13.8473 8.02349 5.83991 9.33865 10.8507 numMergedOcc 0
60 mol 115 unq 2 iso 0 dist 7.11972 6.90986 10.498 6.5838 5.11551 11.4095 5.67807 11.8863 5.39945 10.5564 numMergedOcc 0
61 mol 115 unq 2 iso 1 dist 6.90986 7.11972 10.498 5.67807 5.39945 11.8863 6.5838 11.4095 5.11551 10.5564 numMergedOcc 0
62 mol 133 unq 0 iso 0 dist 9.52634 7.24514 7.6656 9.56949 6.5107 12.0352 6.65743 13.4163 8.22656 14.2075 numMergedOcc 0
63 mol 133 unq 0 iso 1 dist 7.24514 9.52634 7.6656 6.65743 8.22656 13.4163 9.56949 12.0352 6.5107 14.2075 numMergedOcc 0
64 mol 133 unq 1 iso 0 dist 7.24514 8.22656 6.65743 6.761 9.91388 10.0372 5.61668 10.2995 6.82262 8.28069 numMergedOcc 0
65 mol 133 unq 1 iso 1 dist 8.22656 7.24514 6.65743 5.61668 6.82262 10.2995 6.761 10.0372 9.91388 8.28069 numMergedOcc 0
66 mol 133 unq 2 iso 0 dist 7.24514 8.22656 6.65743 7.6656 9.52634 13.4163 5.61668 10.2995 6.82262 12.4308 numMergedOcc 0
67 mol 133 unq 2 iso 1 dist 8.22656 7.24514 6.65743 5.61668 6.82262 10.2995 7.6656 13.4163 9.52634 12.4308 numMergedOcc 0
68 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.79898 9.89303 9.93925 8.80819 11.9139 8.94367 6.86927 numMergedOcc 0
69 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.80819 8.94367 11.9139 5.79898 9.93925 9.89303 6.86927 numMergedOcc 0
70 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 5.79898 9.89303 9.93925 5.00817 9.5126 6.37586 7.11631 numMergedOcc 0
71 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 5.00817 6.37586 9.5126 5.79898 9.93925 9.89303 7.11631 numMergedOcc 0
72 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.80819 6.49416 12.5075 5.49782 6.37586 9.71307 5.00817 numMergedOcc 0
73 mol 134 unq 2 iso 1 dist 9.86662 8.94367 6.81259 5.49782 9.71307 6.37586 8.80819 12.5075 6.49416 5.00817 numMergedOcc 0
74 mol 134 unq 3 iso 0 dist 8.94367 6.49416 8.80819 6.81259 9.86662 12.5075 5.00526 11.9139 6.54501 11.3271 numMergedOcc 0
75 mol 134 unq 3 iso 1 dist 6.49416 8.94367 8.80819 5.00526 6.54501 11.9139 6.81259 12.5075 9.86662 11.3271 numMergedOcc 0
76 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.00817 6.49416 12.5075 5.49782 8.94367 9.86662 8.80819 numMergedOcc 0
77 mol 134 unq 4 iso 1 dist 9.71307 6.37586 6.81259 5.49782 9.86662 8.94367 5.00817 12.5075 6.49416 8.80819 numMergedOcc 0
78 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 6.81259 9.71307 12.5075 5.00526 9.5126 6.54501 11.3271 numMergedOcc 0
79 mol 134 unq 5 iso 1 dist 6.49416 6.37586 5.00817 5.00526 6.54501 9.5126 6.81259 12.5075 9.71307 11.3271 numMergedOcc 0
80 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 11.1395 8.96657 11.0824 5.50998 7.73169 7.26382 5.92693 numMergedOcc 0
81 mol 142 unq 0 iso 1 dist 5.31024 9.2313 5.32922 5.50998 7.26382 7.73169 11.1395 11.0824 8.96657 5.92693 numMergedOcc 0
82 mol 142 unq 1 iso 0 dist 7.73169 7.26382 5.32922 5.92693 8.96657 11.0824 5.50998 9.2313 5.31024 11.1395 numMergedOcc 0
83 mol 142 unq 1 iso 1 dist 7.26382 7.73169 5.32922 5.50998 5.31024 9.2313 5.92693 11.0824 8.96657 11.1395 numMergedOcc 0
84 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 5.49936 8.87437 7.16148 7.65448 10.399 8.56324 10.6875 numMergedOcc 0
85 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 7.65448 8.56324 10.399 5.49936 7.16148 8.87437 10.6875 numMergedOcc 0
86 mol 152 unq 1 iso 0 dist 5.87555 8.87437 5.49936 5.42328 6.70283 7.16148 5.54906 8.67331 8.05741 6.4896 numMergedOcc 0
87 mol 152 unq 1 iso 1 dist 8.87437 5.87555 5.49936 5.54906 8.05741 8.67331 5.42328 7.16148 6.70283 6.4896 numMergedOcc 0
88 mol 152 unq 2 iso 0 dist 5.87555 8.87437 5.49936 5.54906 8.67331 8.05741 5.42328 6.70283 7.16148 6.4896 numMergedOcc 0
89 mol 152 unq 2 iso 1 dist 8.87437 5.87555 5.49936 5.42328 7.16148 6.70283 5.54906 8.05741 8.67331 6.4896 numMergedOcc 0
90 mol 152 unq 3 iso 0 dist 8.87437 7.16148 5.42328 5.49936 5.87555 6.70283 10.6875 10.399 8.56324 7.65448 numMergedOcc 0
91 mol 152 unq 3 iso 1 dist 7.16148 8.87437 5.42328 10.6875 8.56324 10.399 5.49936 6.70283 5.87555 7.65448 numMergedOcc 0
92 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 7.65448 8.56324 14.1618 5.49936 7.16148 8.05741 10.6875 numMergedOcc 0
93 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 5.49936 8.05741 7.16148 7.65448 14.1618 8.56324 10.6875 numMergedOcc 0
94 mol 152 unq 2 iso 0 dist 6.70283 7.16148 5.49936 5.42328 5.87555 8.87437 6.4896 8.67331 8.05741 5.54906 numMergedOcc 0
95 mol 152 unq 2 iso 1 dist 7.16148 6.70283 5.49936 6.4896 8.05741 8.67331 5.42328 8.87437 5.87555 5.54906 numMergedOcc 0
96 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 6.4896 8.67331 8.05741 5.42328 5.87555 8.87437 5.54906 numMergedOcc 0
97 mol 152 unq 3 iso 1 dist 7.16148 6.70283 5.49936 5.42328 8.87437 5.87555 6.4896 8.05741 8.67331 5.54906 numMergedOcc 0
98 mol 152 unq 4 iso 0 dist 7.16148 8.05741 6.4896 10.6875 8.56324 14.1618 5.49936 6.70283 8.67331 7.65448 numMergedOcc 0
99 mol 152 unq 4 iso 1 dist 8.05741 7.16148 6.4896 5.49936 8.67331 6.70283 10.6875 14.1618 8.56324 7.65448 numMergedOcc 0
100 mol 152 unq 2 iso 0 dist 8.67331 8.05741 5.49936 5.54906 5.87555 8.87437 6.4896 6.70283 7.16148 5.42328 numMergedOcc 0
101 mol 152 unq 2 iso 1 dist 8.05741 8.67331 5.49936 6.4896 7.16148 6.70283 5.54906 8.87437 5.87555 5.42328 numMergedOcc 0
102 mol 152 unq 3 iso 0 dist 8.67331 8.05741 5.49936 6.4896 6.70283 7.16148 5.54906 5.87555 8.87437 5.42328 numMergedOcc 0
103 mol 152 unq 3 iso 1 dist 8.05741 8.67331 5.49936 5.54906 8.87437 5.87555 6.4896 7.16148 6.70283 5.42328 numMergedOcc 0
104 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 8.16421 6.57069 10.2623 6.2715 5.6234 9.92231 5.35493 numMergedOcc 0
105 mol 175 unq 0 iso 1 dist 7.652 9.0018 7.42466 6.2715 9.92231 5.6234 8.16421 10.2623 6.57069 5.35493 numMergedOcc 0
106 mol 175 unq 1 iso 0 dist 5.6234 9.92231 7.42466 5.35493 6.57069 10.2623 6.2715 9.0018 7.652 8.16421 numMergedOcc 0
107 mol 175 unq 1 iso 1 dist 9.92231 5.6234 7.42466 6.2715 7.652 9.0018 5.35493 10.2623 6.57069 8.16421 numMergedOcc 0
108 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 13.2049 8.03334 10.7062 10.1912 15.0228 9.09537 12.8522 numMergedOcc 0
109 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 10.1912 9.09537 15.0228 13.2049 10.7062 8.03334 12.8522 numMergedOcc 0
110 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 5.0744 6.60589 9.16166 5.60236 10.5128 5.81334 6.91102 numMergedOcc 0
111 mol 224 unq 0 iso 1 dist 5.78342 6.57273 8.49799 5.60236 5.81334 10.5128 5.0744 9.16166 6.60589 6.91102 numMergedOcc 0
112 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 4.70378 8.95269 9.99123 6.77699 10.103 6.65832 10.9861 numMergedOcc 0
113 mol 224 unq 1 iso 1 dist 6.60589 6.57273 5.0744 6.77699 6.65832 10.103 4.70378 9.99123 8.95269 10.9861 numMergedOcc 0
114 mol 224 unq 2 iso 0 dist 6.57273 6.60589 5.0744 4.70378 8.95269 9.99123 8.49799 5.78342 9.16166 11.5372 numMergedOcc 0
115 mol 224 unq 2 iso 1 dist 6.60589 6.57273 5.0744 8.49799 9.16166 5.78342 4.70378 9.99123 8.95269 11.5372 numMergedOcc 0
116 mol 224 unq 3 iso 0 dist 6.57273 6.60589 5.0744 8.49799 5.78342 9.16166 6.77699 10.103 6.65832 11.328 numMergedOcc 0
117 mol 224 unq 3 iso 1 dist 6.60589 6.57273 5.0744 6.77699 6.65832 10.103 8.49799 9.16166 5.78342 11.328 numMergedOcc 0
118 mol 224 unq 4 iso 0 dist 6.60589 9.16166 8.49799 5.0744 6.57273 5.78342 6.91102 10.5128 5.81334 5.60236 numMergedOcc 0
119 mol 224 unq 4 iso 1 dist 9.16166 6.60589 8.49799 6.91102 5.81334 10.5128 5.0744 5.78342 6.57273 5.60236 numMergedOcc 0
120 mol 224 unq 1 iso 0 dist 5.78342 9.16166 5.0744 11.5372 8.95269 9.99123 11.328 10.103 6.65832 10.9861 numMergedOcc 0
121 mol 224 unq 1 iso 1 dist 9.16166 5.78342 5.0744 11.328 6.65832 10.103 11.5372 9.99123 8.95269 10.9861 numMergedOcc 0
122 mol 224 unq 2 iso 0 dist 5.78342 9.16166 5.0744 11.5372 8.95269 9.99123 8.49799 6.57273 6.60589 4.70378 numMergedOcc 0
123 mol 224 unq 2 iso 1 dist 9.16166 5.78342 5.0744 8.49799 6.60589 6.57273 11.5372 9.99123 8.95269 4.70378 numMergedOcc 0
124 mol 224 unq 3 iso 0 dist 5.78342 9.16166 5.0744 8.49799 6.57273 6.60589 11.328 10.103 6.65832 6.77699 numMergedOcc 0
125 mol 224 unq 3 iso 1 dist 9.16166 5.78342 5.0744 11.328 6.65832 10.103 8.49799 6.60589 6.57273 6.77699 numMergedOcc 0
126 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 6.29886 8.34494 12.9605 7.82322 9.36357 6.7625 12.1694 numMergedOcc 0
127 mol 234 unq 0 iso 1 dist 9.45496 6.56247 5.88703 7.82322 6.7625 9.36357 6.29886 12.9605 8.34494 12.1694 numMergedOcc 0
128 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 12.1694 8.34494 12.9605 7.82322 6.56247 9.45496 6.29886 numMergedOcc 0
129 mol 234 unq 1 iso 1 dist 6.7625 9.36357 5.88703 7.82322 9.45496 6.56247 12.1694 12.9605 8.34494 6.29886 numMergedOcc 0
130 mol 236 unq 0 iso 0 dist 8.03456 9.81562 7.28249 5.79505 6.84306 7.68742 9.90963 9.99038 6.27581 11.3368 numMergedOcc 0
131 mol 236 unq 0 iso 1 dist 9.81562 8.03456 7.28249 9.90963 6.27581 9.99038 5.79505 7.68742 6.84306 11.3368 numMergedOcc 0
132 mol 236 unq 1 iso 0 dist 8.03456 9.81562 7.28249 9.90963 9.99038 6.27581 5.79505 6.84306 7.68742 11.3368 numMergedOcc 0
133 mol 236 unq 1 iso 1 dist 9.81562 8.03456 7.28249 5.79505 7.68742 6.84306 9.90963 6.27581 9.99038 11.3368 numMergedOcc 0
134 mol 236 unq 2 iso 0 dist 8.03456 9.81562 7.28249 6.96005 9.78037 13.499 5.79505 6.84306 7.68742 11.8739 numMergedOcc 0
135 mol 236 unq 2 iso 1 dist 9.81562 8.03456 7.28249 5.79505 7.68742 6.84306 6.96005 13.499 9.78037 11.8739 numMergedOcc 0
136 mol 236 unq 3 iso 0 dist 8.03456 9.81562 7.28249 6.96005 9.78037 13.499 9.90963 9.99038 6.27581 11.1557 numMergedOcc 0
137 mol 236 unq 3 iso 1 dist 9.81562 8.03456 7.28249 9.90963 6.27581 9.99038 6.96005 13.499 9.78037 11.1557 numMergedOcc 0
138 mol 236 unq 4 iso 0 dist 8.03456 9.81562 7.28249 14.2337 8.35971 11.2141 5.79505 6.84306 7.68742 14.7998 numMergedOcc 0
139 mol 236 unq 4 iso 1 dist 9.81562 8.03456 7.28249 5.79505 7.68742 6.84306 14.2337 11.2141 8.35971 14.7998 numMergedOcc 0
140 mol 236 unq 5 iso 0 dist 8.03456 9.81562 7.28249 14.2337 8.35971 11.2141 9.90963 9.99038 6.27581 10.7497 numMergedOcc 0
141 mol 236 unq 5 iso 1 dist 9.81562 8.03456 7.28249 9.90963 6.27581 9.99038 14.2337 11.2141 8.35971 10.7497 numMergedOcc 0
142 mol 236 unq 6 iso 0 dist 8.03456 8.35971 14.2337 7.28249 9.81562 11.2141 7.43758 15.1853 8.04248 12.8967 numMergedOcc 0
143 mol 236 unq 6 iso 1 dist 8.35971 8.03456 14.2337 7.43758 8.04248 15.1853 7.28249 11.2141 9.81562 12.8967 numMergedOcc 0
144 mol 236 unq 7 iso 0 dist 6.84306 7.68742 7.28249 5.79505 8.03456 9.81562 11.3368 9.99038 6.27581 9.90963 numMergedOcc 0
145 mol 236 unq 7 iso 1 dist 7.68742 6.84306 7.28249 11.3368 6.27581 9.99038 5.79505 9.81562 8.03456 9.90963 numMergedOcc 0
146 mol 236 unq 8 iso 0 dist 6.84306 7.68742 7.28249 11.3368 9.99038 6.27581 5.79505 8.03456 9.81562 9.90963 numMergedOcc 0
147 mol 236 unq 8 iso 1 dist 7.68742 6.84306 7.28249 5.79505 9.81562 8.03456 11.3368 6.27581 9.99038 9.90963 numMergedOcc 0
148 mol 236 unq 9 iso 0 dist 6.84306 7.68742 7.28249 11.8739 9.78037 13.499 5.79505 8.03456 9.81562 6.96005 numMergedOcc 0
149 mol 236 unq 9 iso 1 dist 7.68742 6.84306 7.28249 5.79505 9.81562 8.03456 11.8739 13.499 9.78037 6.96005 numMergedOcc 0
150 mol 236 unq 10 iso 0 dist 6.84306 7.68742 7.28249 11.8739 9.78037 13.499 11.3368 9.99038 6.27581 11.1557 numMergedOcc 0
151 mol 236 unq 10 iso 1 dist 7.68742 6.84306 7.28249 11.3368 6.27581 9.99038 11.8739 13.499 9.78037 11.1557 numMergedOcc 0
152 mol 236 unq 11 iso 0 dist 6.84306 7.68742 7.28249 14.7998 8.35971 11.2141 5.79505 8.03456 9.81562 14.2337 numMergedOcc 0
153 mol 236 unq 11 iso 1 dist 7.68742 6.84306 7.28249 5.79505 9.81562 8.03456 14.7998 11.2141 8.35971 14.2337 numMergedOcc 0
154 mol 236 unq 12 iso 0 dist 6.84306 7.68742 7.28249 14.7998 8.35971 11.2141 11.3368 9.99038 6.27581 10.7497 numMergedOcc 0
155 mol 236 unq 12 iso 1 dist 7.68742 6.84306 7.28249 11.3368 6.27581 9.99038 14.7998 11.2141 8.35971 10.7497 numMergedOcc 0
156 mol 236 unq 13 iso 0 dist 6.84306 8.35971 14.7998 7.28249 7.68742 11.2141 7.43758 13.5269 8.04248 12.8967 numMergedOcc 0
157 mol 236 unq 13 iso 1 dist 8.35971 6.84306 14.7998 7.43758 8.04248 13.5269 7.28249 11.2141 7.68742 12.8967 numMergedOcc 0
158 mol 236 unq 14 iso 0 dist 9.99038 6.27581 7.28249 9.90963 8.03456 9.81562 11.3368 6.84306 7.68742 5.79505 numMergedOcc 0
159 mol 236 unq 14 iso 1 dist 6.27581 9.99038 7.28249 11.3368 7.68742 6.84306 9.90963 9.81562 8.03456 5.79505 numMergedOcc 0
160 mol 236 unq 15 iso 0 dist 9.99038 6.27581 7.28249 11.3368 6.84306 7.68742 9.90963 8.03456 9.81562 5.79505 numMergedOcc 0
161 mol 236 unq 15 iso 1 dist 6.27581 9.99038 7.28249 9.90963 9.81562 8.03456 11.3368 7.68742 6.84306 5.79505 numMergedOcc 0
162 mol 236 unq 16 iso 0 dist 9.99038 6.27581 7.28249 11.1557 9.78037 13.499 9.90963 8.03456 9.81562 6.96005 numMergedOcc 0
163 mol 236 unq 16 iso 1 dist 6.27581 9.99038 7.28249 9.90963 9.81562 8.03456 11.1557 13.499 9.78037 6.96005 numMergedOcc 0
164 mol 236 unq 17 iso 0 dist 9.99038 6.27581 7.28249 11.1557 9.78037 13.499 11.3368 6.84306 7.68742 11.8739 numMergedOcc 0
165 mol 236 unq 17 iso 1 dist 6.27581 9.99038 7.28249 11.3368 7.68742 6.84306 11.1557 13.499 9.78037 11.8739 numMergedOcc 0
166 mol 236 unq 18 iso 0 dist 9.99038 6.27581 7.28249 10.7497 8.35971 11.2141 9.90963 8.03456 9.81562 14.2337 numMergedOcc 0
167 mol 236 unq 18 iso 1 dist 6.27581 9.99038 7.28249 9.90963 9.81562 8.03456 10.7497 11.2141 8.35971 14.2337 numMergedOcc 0
168 mol 236 unq 19 iso 0 dist 9.99038 6.27581 7.28249 10.7497 8.35971 11.2141 11.3368 6.84306 7.68742 14.7998 numMergedOcc 0
169 mol 236 unq 19 iso 1 dist 6.27581 9.99038 7.28249 11.3368 7.68742 6.84306 10.7497 11.2141 8.35971 14.7998 numMergedOcc 0
170 mol 236 unq 20 iso 0 dist 9.99038 8.35971 10.7497 7.28249 6.27581 11.2141 7.43758 15.7308 8.04248 12.8967 numMergedOcc 0
171 mol 236 unq 20 iso 1 dist 8.35971 9.99038 10.7497 7.43758 8.04248 15.7308 7.28249 11.2141 6.27581 12.8967 numMergedOcc 0
172 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 8.41807 8.1715 9.2288 14.9102 10.5136 7.19638 11.7918 numMergedOcc 0
173 mol 252 unq 0 iso 1 dist 8.33025 8.1148 6.0987 14.9102 7.19638 10.5136 8.41807 9.2288 8.1715 11.7918 numMergedOcc 0
174 mol 252 unq 1 iso 0 dist 8.1715 9.2288 6.0987 8.41807 8.1148 8.33025 11.7918 10.5136 7.19638 14.9102 numMergedOcc 0
175 mol 252 unq 1 iso 1 dist 9.2288 8.1715 6.0987 11.7918 7.19638 10.5136 8.41807 8.33025 8.1148 14.9102 numMergedOcc 0
176 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 10.582 8.53687 10.5767 4.86771 9.95973 7.84554 10.4756 numMergedOcc 0
177 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 4.86771 7.84554 9.95973 10.582 10.5767 8.53687 10.4756 numMergedOcc 0
178 mol 259 unq 1 iso 0 dist 8.13497 7.88519 4.69778 10.582 8.53687 10.5767 6.96053 10.3935 7.46176 15.7715 numMergedOcc 0
179 mol 259 unq 1 iso 1 dist 7.88519 8.13497 4.69778 6.96053 7.46176 10.3935 10.582 10.5767 8.53687 15.7715 numMergedOcc 0
180 mol 259 unq 2 iso 0 dist 8.13497 7.88519 4.69778 10.582 8.53687 10.5767 10.4881 12.6839 9.18903 12.5247 numMergedOcc 0
181 mol 259 unq 2 iso 1 dist 7.88519 8.13497 4.69778 10.4881 9.18903 12.6839 10.582 10.5767 8.53687 12.5247 numMergedOcc 0
