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1 mol 19 unq 0 iso 1 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 numMergedOcc 0
2 mol 19 unq 0 iso 2 dist 4.54938 6.864 5.80928 7.67038 8.4674 4.51865 numMergedOcc 0
3 mol 19 unq 0 iso 3 dist 4.54938 8.4674 7.67038 5.80928 6.864 4.51865 numMergedOcc 0
4 mol 19 unq 0 iso 4 dist 4.51865 8.4674 5.80928 7.67038 6.864 4.54938 numMergedOcc 0
5 mol 19 unq 0 iso 5 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 numMergedOcc 0
6 mol 19 unq 0 iso 6 dist 6.864 4.54938 5.80928 7.67038 4.51865 8.4674 numMergedOcc 0
7 mol 19 unq 0 iso 7 dist 6.864 4.51865 7.67038 5.80928 4.54938 8.4674 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 6.9948 7.47541 7.66905 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 7.97049 7.47541 6.9948 5.42586 6.19965 7.66905 numMergedOcc 0
10 mol 85 unq 0 iso 2 dist 7.47541 7.66905 5.42586 6.9948 7.97049 6.19965 numMergedOcc 0
11 mol 85 unq 0 iso 3 dist 7.47541 7.97049 6.9948 5.42586 7.66905 6.19965 numMergedOcc 0
12 mol 85 unq 0 iso 4 dist 6.19965 7.97049 5.42586 6.9948 7.66905 7.47541 numMergedOcc 0
13 mol 85 unq 0 iso 5 dist 6.19965 7.66905 6.9948 5.42586 7.97049 7.47541 numMergedOcc 0
14 mol 85 unq 0 iso 6 dist 7.66905 7.47541 5.42586 6.9948 6.19965 7.97049 numMergedOcc 0
15 mol 85 unq 0 iso 7 dist 7.66905 6.19965 6.9948 5.42586 7.47541 7.97049 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 7.80879 9.35224 6.56369 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 9.60661 9.35224 7.80879 5.88134 6.65086 6.56369 numMergedOcc 0
18 mol 100 unq 0 iso 2 dist 9.35224 6.56369 5.88134 7.80879 9.60661 6.65086 numMergedOcc 0
19 mol 100 unq 0 iso 3 dist 9.35224 9.60661 7.80879 5.88134 6.56369 6.65086 numMergedOcc 0
20 mol 100 unq 0 iso 4 dist 6.65086 9.60661 5.88134 7.80879 6.56369 9.35224 numMergedOcc 0
21 mol 100 unq 0 iso 5 dist 6.65086 6.56369 7.80879 5.88134 9.60661 9.35224 numMergedOcc 0
22 mol 100 unq 0 iso 6 dist 6.56369 9.35224 5.88134 7.80879 6.65086 9.60661 numMergedOcc 0
23 mol 100 unq 0 iso 7 dist 6.56369 6.65086 7.80879 5.88134 9.35224 9.60661 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 7.69052 5.83991 7.88312 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 9.33865 5.83991 7.69052 8.02349 6.11741 7.88312 numMergedOcc 0
26 mol 115 unq 0 iso 2 dist 5.83991 7.88312 8.02349 7.69052 9.33865 6.11741 numMergedOcc 0
27 mol 115 unq 0 iso 3 dist 5.83991 9.33865 7.69052 8.02349 7.88312 6.11741 numMergedOcc 0
28 mol 115 unq 0 iso 4 dist 6.11741 9.33865 8.02349 7.69052 7.88312 5.83991 numMergedOcc 0
29 mol 115 unq 0 iso 5 dist 6.11741 7.88312 7.69052 8.02349 9.33865 5.83991 numMergedOcc 0
30 mol 115 unq 0 iso 6 dist 7.88312 5.83991 8.02349 7.69052 6.11741 9.33865 numMergedOcc 0
31 mol 115 unq 0 iso 7 dist 7.88312 6.11741 7.69052 8.02349 5.83991 9.33865 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 5.49782 6.37586 9.71307 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 8.94367 6.37586 5.49782 6.81259 9.86662 9.71307 numMergedOcc 0
34 mol 134 unq 0 iso 2 dist 6.37586 9.71307 6.81259 5.49782 8.94367 9.86662 numMergedOcc 0
35 mol 134 unq 0 iso 3 dist 6.37586 8.94367 5.49782 6.81259 9.71307 9.86662 numMergedOcc 0
36 mol 134 unq 0 iso 4 dist 9.86662 8.94367 6.81259 5.49782 9.71307 6.37586 numMergedOcc 0
37 mol 134 unq 0 iso 5 dist 9.86662 9.71307 5.49782 6.81259 8.94367 6.37586 numMergedOcc 0
38 mol 134 unq 0 iso 6 dist 9.71307 6.37586 6.81259 5.49782 9.86662 8.94367 numMergedOcc 0
39 mol 134 unq 0 iso 7 dist 9.71307 9.86662 5.49782 6.81259 6.37586 8.94367 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 5.32922 5.31024 7.26382 numMergedOcc 0
41 mol 142 unq 0 iso 1 dist 9.2313 5.31024 5.32922 5.50998 7.73169 7.26382 numMergedOcc 0
42 mol 142 unq 0 iso 2 dist 5.31024 7.26382 5.50998 5.32922 9.2313 7.73169 numMergedOcc 0
43 mol 142 unq 0 iso 3 dist 5.31024 9.2313 5.32922 5.50998 7.26382 7.73169 numMergedOcc 0
44 mol 142 unq 0 iso 4 dist 7.73169 9.2313 5.50998 5.32922 7.26382 5.31024 numMergedOcc 0
45 mol 142 unq 0 iso 5 dist 7.73169 7.26382 5.32922 5.50998 9.2313 5.31024 numMergedOcc 0
46 mol 142 unq 0 iso 6 dist 7.26382 5.31024 5.50998 5.32922 7.73169 9.2313 numMergedOcc 0
47 mol 142 unq 0 iso 7 dist 7.26382 7.73169 5.32922 5.50998 5.31024 9.2313 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 5.49936 8.87437 7.16148 numMergedOcc 0
49 mol 152 unq 0 iso 1 dist 5.87555 8.87437 5.49936 5.42328 6.70283 7.16148 numMergedOcc 0
50 mol 152 unq 0 iso 2 dist 8.87437 7.16148 5.42328 5.49936 5.87555 6.70283 numMergedOcc 0
51 mol 152 unq 0 iso 3 dist 8.87437 5.87555 5.49936 5.42328 7.16148 6.70283 numMergedOcc 0
52 mol 152 unq 0 iso 4 dist 6.70283 5.87555 5.42328 5.49936 7.16148 8.87437 numMergedOcc 0
53 mol 152 unq 0 iso 5 dist 6.70283 7.16148 5.49936 5.42328 5.87555 8.87437 numMergedOcc 0
54 mol 152 unq 0 iso 6 dist 7.16148 8.87437 5.42328 5.49936 6.70283 5.87555 numMergedOcc 0
55 mol 152 unq 0 iso 7 dist 7.16148 6.70283 5.49936 5.42328 8.87437 5.87555 numMergedOcc 0
56 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 5.49936 8.87437 8.05741 numMergedOcc 0
57 mol 152 unq 1 iso 1 dist 5.87555 8.87437 5.49936 5.54906 8.67331 8.05741 numMergedOcc 0
58 mol 152 unq 1 iso 2 dist 8.87437 8.05741 5.54906 5.49936 5.87555 8.67331 numMergedOcc 0
59 mol 152 unq 1 iso 3 dist 8.87437 5.87555 5.49936 5.54906 8.05741 8.67331 numMergedOcc 0
60 mol 152 unq 1 iso 4 dist 8.67331 5.87555 5.54906 5.49936 8.05741 8.87437 numMergedOcc 0
61 mol 152 unq 1 iso 5 dist 8.67331 8.05741 5.49936 5.54906 5.87555 8.87437 numMergedOcc 0
62 mol 152 unq 1 iso 6 dist 8.05741 8.87437 5.54906 5.49936 8.67331 5.87555 numMergedOcc 0
63 mol 152 unq 1 iso 7 dist 8.05741 8.67331 5.49936 5.54906 8.87437 5.87555 numMergedOcc 0
64 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 5.49936 7.16148 8.05741 numMergedOcc 0
65 mol 152 unq 1 iso 1 dist 6.70283 7.16148 5.49936 6.4896 8.67331 8.05741 numMergedOcc 0
66 mol 152 unq 1 iso 2 dist 7.16148 8.05741 6.4896 5.49936 6.70283 8.67331 numMergedOcc 0
67 mol 152 unq 1 iso 3 dist 7.16148 6.70283 5.49936 6.4896 8.05741 8.67331 numMergedOcc 0
68 mol 152 unq 1 iso 4 dist 8.67331 6.70283 6.4896 5.49936 8.05741 7.16148 numMergedOcc 0
69 mol 152 unq 1 iso 5 dist 8.67331 8.05741 5.49936 6.4896 6.70283 7.16148 numMergedOcc 0
70 mol 152 unq 1 iso 6 dist 8.05741 7.16148 6.4896 5.49936 8.67331 6.70283 numMergedOcc 0
71 mol 152 unq 1 iso 7 dist 8.05741 8.67331 5.49936 6.4896 7.16148 6.70283 numMergedOcc 0
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73 mol 175 unq 0 iso 1 dist 9.0018 7.652 7.42466 6.2715 5.6234 9.92231 numMergedOcc 0
74 mol 175 unq 0 iso 2 dist 7.652 9.92231 6.2715 7.42466 9.0018 5.6234 numMergedOcc 0
75 mol 175 unq 0 iso 3 dist 7.652 9.0018 7.42466 6.2715 9.92231 5.6234 numMergedOcc 0
76 mol 175 unq 0 iso 4 dist 5.6234 9.0018 6.2715 7.42466 9.92231 7.652 numMergedOcc 0
77 mol 175 unq 0 iso 5 dist 5.6234 9.92231 7.42466 6.2715 9.0018 7.652 numMergedOcc 0
78 mol 175 unq 0 iso 6 dist 9.92231 7.652 6.2715 7.42466 5.6234 9.0018 numMergedOcc 0
79 mol 175 unq 0 iso 7 dist 9.92231 5.6234 7.42466 6.2715 7.652 9.0018 numMergedOcc 0
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81 mol 224 unq 0 iso 1 dist 6.57273 6.60589 5.0744 8.49799 5.78342 9.16166 numMergedOcc 0
82 mol 224 unq 0 iso 2 dist 6.60589 9.16166 8.49799 5.0744 6.57273 5.78342 numMergedOcc 0
83 mol 224 unq 0 iso 3 dist 6.60589 6.57273 5.0744 8.49799 9.16166 5.78342 numMergedOcc 0
84 mol 224 unq 0 iso 4 dist 5.78342 6.57273 8.49799 5.0744 9.16166 6.60589 numMergedOcc 0
85 mol 224 unq 0 iso 5 dist 5.78342 9.16166 5.0744 8.49799 6.57273 6.60589 numMergedOcc 0
86 mol 224 unq 0 iso 6 dist 9.16166 6.60589 8.49799 5.0744 5.78342 6.57273 numMergedOcc 0
87 mol 224 unq 0 iso 7 dist 9.16166 5.78342 5.0744 8.49799 6.60589 6.57273 numMergedOcc 0
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89 mol 234 unq 0 iso 1 dist 6.56247 9.36357 7.82322 5.88703 9.45496 6.7625 numMergedOcc 0
90 mol 234 unq 0 iso 2 dist 9.36357 6.7625 5.88703 7.82322 6.56247 9.45496 numMergedOcc 0
91 mol 234 unq 0 iso 3 dist 9.36357 6.56247 7.82322 5.88703 6.7625 9.45496 numMergedOcc 0
92 mol 234 unq 0 iso 4 dist 9.45496 6.56247 5.88703 7.82322 6.7625 9.36357 numMergedOcc 0
93 mol 234 unq 0 iso 5 dist 9.45496 6.7625 7.82322 5.88703 6.56247 9.36357 numMergedOcc 0
94 mol 234 unq 0 iso 6 dist 6.7625 9.36357 5.88703 7.82322 9.45496 6.56247 numMergedOcc 0
95 mol 234 unq 0 iso 7 dist 6.7625 9.45496 7.82322 5.88703 9.36357 6.56247 numMergedOcc 0
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97 mol 236 unq 0 iso 1 dist 8.03456 6.84306 5.79505 7.28249 9.81562 7.68742 numMergedOcc 0
98 mol 236 unq 0 iso 2 dist 6.84306 7.68742 7.28249 5.79505 8.03456 9.81562 numMergedOcc 0
99 mol 236 unq 0 iso 3 dist 6.84306 8.03456 5.79505 7.28249 7.68742 9.81562 numMergedOcc 0
100 mol 236 unq 0 iso 4 dist 9.81562 8.03456 7.28249 5.79505 7.68742 6.84306 numMergedOcc 0
101 mol 236 unq 0 iso 5 dist 9.81562 7.68742 5.79505 7.28249 8.03456 6.84306 numMergedOcc 0
102 mol 236 unq 0 iso 6 dist 7.68742 6.84306 7.28249 5.79505 9.81562 8.03456 numMergedOcc 0
103 mol 236 unq 0 iso 7 dist 7.68742 9.81562 5.79505 7.28249 6.84306 8.03456 numMergedOcc 0
104 mol 236 unq 1 iso 0 dist 8.03456 9.81562 7.28249 9.90963 9.99038 6.27581 numMergedOcc 0
105 mol 236 unq 1 iso 1 dist 8.03456 9.99038 9.90963 7.28249 9.81562 6.27581 numMergedOcc 0
106 mol 236 unq 1 iso 2 dist 9.99038 6.27581 7.28249 9.90963 8.03456 9.81562 numMergedOcc 0
107 mol 236 unq 1 iso 3 dist 9.99038 8.03456 9.90963 7.28249 6.27581 9.81562 numMergedOcc 0
108 mol 236 unq 1 iso 4 dist 9.81562 8.03456 7.28249 9.90963 6.27581 9.99038 numMergedOcc 0
109 mol 236 unq 1 iso 5 dist 9.81562 6.27581 9.90963 7.28249 8.03456 9.99038 numMergedOcc 0
110 mol 236 unq 1 iso 6 dist 6.27581 9.99038 7.28249 9.90963 9.81562 8.03456 numMergedOcc 0
111 mol 236 unq 1 iso 7 dist 6.27581 9.81562 9.90963 7.28249 9.99038 8.03456 numMergedOcc 0
112 mol 236 unq 1 iso 0 dist 6.84306 7.68742 7.28249 11.3368 9.99038 6.27581 numMergedOcc 0
113 mol 236 unq 1 iso 1 dist 6.84306 9.99038 11.3368 7.28249 7.68742 6.27581 numMergedOcc 0
114 mol 236 unq 1 iso 2 dist 9.99038 6.27581 7.28249 11.3368 6.84306 7.68742 numMergedOcc 0
115 mol 236 unq 1 iso 3 dist 9.99038 6.84306 11.3368 7.28249 6.27581 7.68742 numMergedOcc 0
116 mol 236 unq 1 iso 4 dist 7.68742 6.84306 7.28249 11.3368 6.27581 9.99038 numMergedOcc 0
117 mol 236 unq 1 iso 5 dist 7.68742 6.27581 11.3368 7.28249 6.84306 9.99038 numMergedOcc 0
118 mol 236 unq 1 iso 6 dist 6.27581 9.99038 7.28249 11.3368 7.68742 6.84306 numMergedOcc 0
119 mol 236 unq 1 iso 7 dist 6.27581 7.68742 11.3368 7.28249 9.99038 6.84306 numMergedOcc 0
120 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 8.41807 8.1715 9.2288 numMergedOcc 0
121 mol 252 unq 0 iso 1 dist 8.1148 8.1715 8.41807 6.0987 8.33025 9.2288 numMergedOcc 0
122 mol 252 unq 0 iso 2 dist 8.1715 9.2288 6.0987 8.41807 8.1148 8.33025 numMergedOcc 0
123 mol 252 unq 0 iso 3 dist 8.1715 8.1148 8.41807 6.0987 9.2288 8.33025 numMergedOcc 0
124 mol 252 unq 0 iso 4 dist 8.33025 8.1148 6.0987 8.41807 9.2288 8.1715 numMergedOcc 0
125 mol 252 unq 0 iso 5 dist 8.33025 9.2288 8.41807 6.0987 8.1148 8.1715 numMergedOcc 0
126 mol 252 unq 0 iso 6 dist 9.2288 8.1715 6.0987 8.41807 8.33025 8.1148 numMergedOcc 0
127 mol 252 unq 0 iso 7 dist 9.2288 8.33025 8.41807 6.0987 8.1715 8.1148 numMergedOcc 0
