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1 mol 14 unq 0 iso 1 dist 9.7022 9.04767 5.67201 9.58196 5.53425 4.53725 numMergedOcc 0
2 mol 14 unq 0 iso 2 dist 9.58196 9.7022 5.53425 9.04767 4.53725 5.67201 numMergedOcc 0
3 mol 14 unq 0 iso 3 dist 9.58196 9.04767 4.53725 9.7022 5.53425 5.67201 numMergedOcc 0
4 mol 14 unq 0 iso 4 dist 9.04767 9.7022 5.67201 9.58196 4.53725 5.53425 numMergedOcc 0
5 mol 14 unq 0 iso 5 dist 9.04767 9.58196 4.53725 9.7022 5.67201 5.53425 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 numMergedOcc 0
8 mol 16 unq 0 iso 2 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 numMergedOcc 0
9 mol 16 unq 0 iso 3 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 numMergedOcc 0
10 mol 16 unq 0 iso 4 dist 8.71745 7.63133 10.4155 5.46498 5.74188 5.32694 numMergedOcc 0
11 mol 16 unq 0 iso 5 dist 8.71745 5.46498 5.74188 7.63133 10.4155 5.32694 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 numMergedOcc 0
13 mol 19 unq 0 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 numMergedOcc 0
14 mol 19 unq 0 iso 2 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 numMergedOcc 0
15 mol 19 unq 0 iso 3 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 numMergedOcc 0
16 mol 19 unq 0 iso 4 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 numMergedOcc 0
17 mol 19 unq 0 iso 5 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 numMergedOcc 0
18 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 numMergedOcc 0
19 mol 19 unq 1 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 numMergedOcc 0
20 mol 19 unq 1 iso 2 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 numMergedOcc 0
21 mol 19 unq 1 iso 3 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 numMergedOcc 0
22 mol 19 unq 1 iso 4 dist 7.82074 8.4674 10.3915 4.54938 5.03957 7.67038 numMergedOcc 0
23 mol 19 unq 1 iso 5 dist 7.82074 4.54938 5.03957 8.4674 10.3915 7.67038 numMergedOcc 0
24 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.93915 5.89973 6.45462 numMergedOcc 0
25 mol 43 unq 0 iso 1 dist 5.73819 8.93915 5.89973 6.20293 5.06502 6.45462 numMergedOcc 0
26 mol 43 unq 0 iso 2 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 numMergedOcc 0
27 mol 43 unq 0 iso 3 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 numMergedOcc 0
28 mol 43 unq 0 iso 4 dist 8.93915 5.73819 5.89973 6.20293 6.45462 5.06502 numMergedOcc 0
29 mol 43 unq 0 iso 5 dist 8.93915 6.20293 6.45462 5.73819 5.89973 5.06502 numMergedOcc 0
30 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.10861 16.3192 14.2075 numMergedOcc 0
31 mol 54 unq 0 iso 1 dist 9.5589 8.10861 16.3192 6.83299 5.08001 14.2075 numMergedOcc 0
32 mol 54 unq 0 iso 2 dist 6.83299 9.5589 5.08001 8.10861 14.2075 16.3192 numMergedOcc 0
33 mol 54 unq 0 iso 3 dist 6.83299 8.10861 14.2075 9.5589 5.08001 16.3192 numMergedOcc 0
34 mol 54 unq 0 iso 4 dist 8.10861 9.5589 16.3192 6.83299 14.2075 5.08001 numMergedOcc 0
35 mol 54 unq 0 iso 5 dist 8.10861 6.83299 14.2075 9.5589 16.3192 5.08001 numMergedOcc 0
36 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 9.55426 9.7274 5.90225 numMergedOcc 0
37 mol 58 unq 0 iso 1 dist 6.81627 9.55426 9.7274 7.32874 5.47421 5.90225 numMergedOcc 0
38 mol 58 unq 0 iso 2 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 numMergedOcc 0
39 mol 58 unq 0 iso 3 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 numMergedOcc 0
40 mol 58 unq 0 iso 4 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 numMergedOcc 0
41 mol 58 unq 0 iso 5 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 numMergedOcc 0
42 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 numMergedOcc 0
43 mol 58 unq 1 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 numMergedOcc 0
44 mol 58 unq 1 iso 2 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 numMergedOcc 0
45 mol 58 unq 1 iso 3 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 numMergedOcc 0
46 mol 58 unq 1 iso 4 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 numMergedOcc 0
47 mol 58 unq 1 iso 5 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 numMergedOcc 0
48 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.25513 8.19458 6.40295 numMergedOcc 0
49 mol 59 unq 0 iso 1 dist 7.71095 8.25513 8.19458 8.84665 12.5396 6.40295 numMergedOcc 0
50 mol 59 unq 0 iso 2 dist 8.84665 7.71095 12.5396 8.25513 6.40295 8.19458 numMergedOcc 0
51 mol 59 unq 0 iso 3 dist 8.84665 8.25513 6.40295 7.71095 12.5396 8.19458 numMergedOcc 0
52 mol 59 unq 0 iso 4 dist 8.25513 7.71095 8.19458 8.84665 6.40295 12.5396 numMergedOcc 0
53 mol 59 unq 0 iso 5 dist 8.25513 8.84665 6.40295 7.71095 8.19458 12.5396 numMergedOcc 0
54 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 6.43294 10.6819 11.3621 numMergedOcc 0
55 mol 60 unq 0 iso 1 dist 6.65595 6.43294 10.6819 9.25011 4.73512 11.3621 numMergedOcc 0
56 mol 60 unq 0 iso 2 dist 9.25011 6.65595 4.73512 6.43294 11.3621 10.6819 numMergedOcc 0
57 mol 60 unq 0 iso 3 dist 9.25011 6.43294 11.3621 6.65595 4.73512 10.6819 numMergedOcc 0
58 mol 60 unq 0 iso 4 dist 6.43294 6.65595 10.6819 9.25011 11.3621 4.73512 numMergedOcc 0
59 mol 60 unq 0 iso 5 dist 6.43294 9.25011 11.3621 6.65595 10.6819 4.73512 numMergedOcc 0
60 mol 60 unq 1 iso 0 dist 6.65595 9.25011 4.73512 8.52121 8.93946 7.66664 numMergedOcc 0
61 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 9.25011 4.73512 7.66664 numMergedOcc 0
62 mol 60 unq 1 iso 2 dist 9.25011 6.65595 4.73512 8.52121 7.66664 8.93946 numMergedOcc 0
63 mol 60 unq 1 iso 3 dist 9.25011 8.52121 7.66664 6.65595 4.73512 8.93946 numMergedOcc 0
64 mol 60 unq 1 iso 4 dist 8.52121 6.65595 8.93946 9.25011 7.66664 4.73512 numMergedOcc 0
65 mol 60 unq 1 iso 5 dist 8.52121 9.25011 7.66664 6.65595 8.93946 4.73512 numMergedOcc 0
66 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 8.52121 8.93946 5.51199 numMergedOcc 0
67 mol 60 unq 1 iso 1 dist 6.65595 8.52121 8.93946 6.43294 10.6819 5.51199 numMergedOcc 0
68 mol 60 unq 1 iso 2 dist 6.43294 6.65595 10.6819 8.52121 5.51199 8.93946 numMergedOcc 0
69 mol 60 unq 1 iso 3 dist 6.43294 8.52121 5.51199 6.65595 10.6819 8.93946 numMergedOcc 0
70 mol 60 unq 1 iso 4 dist 8.52121 6.65595 8.93946 6.43294 5.51199 10.6819 numMergedOcc 0
71 mol 60 unq 1 iso 5 dist 8.52121 6.43294 5.51199 6.65595 8.93946 10.6819 numMergedOcc 0
72 mol 60 unq 1 iso 0 dist 9.25011 6.43294 11.3621 8.52121 7.66664 5.51199 numMergedOcc 0
73 mol 60 unq 1 iso 1 dist 9.25011 8.52121 7.66664 6.43294 11.3621 5.51199 numMergedOcc 0
74 mol 60 unq 1 iso 2 dist 6.43294 9.25011 11.3621 8.52121 5.51199 7.66664 numMergedOcc 0
75 mol 60 unq 1 iso 3 dist 6.43294 8.52121 5.51199 9.25011 11.3621 7.66664 numMergedOcc 0
76 mol 60 unq 1 iso 4 dist 8.52121 9.25011 7.66664 6.43294 5.51199 11.3621 numMergedOcc 0
77 mol 60 unq 1 iso 5 dist 8.52121 6.43294 5.51199 9.25011 7.66664 11.3621 numMergedOcc 0
78 mol 60 unq 2 iso 0 dist 8.33063 6.43294 10.1562 8.7531 7.29309 5.67502 numMergedOcc 0
79 mol 60 unq 2 iso 1 dist 8.33063 8.7531 7.29309 6.43294 10.1562 5.67502 numMergedOcc 0
80 mol 60 unq 2 iso 2 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 numMergedOcc 0
81 mol 60 unq 2 iso 3 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 numMergedOcc 0
82 mol 60 unq 2 iso 4 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 numMergedOcc 0
83 mol 60 unq 2 iso 5 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 numMergedOcc 0
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85 mol 73 unq 0 iso 1 dist 9.38498 9.75218 13.7412 9.96396 15.7123 12.016 numMergedOcc 0
86 mol 73 unq 0 iso 2 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 numMergedOcc 0
87 mol 73 unq 0 iso 3 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 numMergedOcc 0
88 mol 73 unq 0 iso 4 dist 9.75218 9.38498 13.7412 9.96396 12.016 15.7123 numMergedOcc 0
89 mol 73 unq 0 iso 5 dist 9.75218 9.96396 12.016 9.38498 13.7412 15.7123 numMergedOcc 0
90 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 numMergedOcc 0
91 mol 73 unq 1 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 numMergedOcc 0
92 mol 73 unq 1 iso 2 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 numMergedOcc 0
93 mol 73 unq 1 iso 3 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 numMergedOcc 0
94 mol 73 unq 1 iso 4 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 numMergedOcc 0
95 mol 73 unq 1 iso 5 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 numMergedOcc 0
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97 mol 75 unq 0 iso 1 dist 7.79912 8.59017 10.4899 8.56639 5.64643 7.00674 numMergedOcc 0
98 mol 75 unq 0 iso 2 dist 8.56639 7.79912 5.64643 8.59017 7.00674 10.4899 numMergedOcc 0
99 mol 75 unq 0 iso 3 dist 8.56639 8.59017 7.00674 7.79912 5.64643 10.4899 numMergedOcc 0
100 mol 75 unq 0 iso 4 dist 8.59017 7.79912 10.4899 8.56639 7.00674 5.64643 numMergedOcc 0
101 mol 75 unq 0 iso 5 dist 8.59017 8.56639 7.00674 7.79912 10.4899 5.64643 numMergedOcc 0
102 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 numMergedOcc 0
103 mol 85 unq 0 iso 1 dist 7.47541 5.73196 6.87425 7.66905 5.42586 10.1164 numMergedOcc 0
104 mol 85 unq 0 iso 2 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 numMergedOcc 0
105 mol 85 unq 0 iso 3 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 numMergedOcc 0
106 mol 85 unq 0 iso 4 dist 5.73196 7.47541 6.87425 7.66905 10.1164 5.42586 numMergedOcc 0
107 mol 85 unq 0 iso 5 dist 5.73196 7.66905 10.1164 7.47541 6.87425 5.42586 numMergedOcc 0
108 mol 85 unq 1 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 numMergedOcc 0
109 mol 85 unq 1 iso 1 dist 7.95579 7.66905 10.7229 6.19965 4.26409 6.9948 numMergedOcc 0
110 mol 85 unq 1 iso 2 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 numMergedOcc 0
111 mol 85 unq 1 iso 3 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 numMergedOcc 0
112 mol 85 unq 1 iso 4 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 numMergedOcc 0
113 mol 85 unq 1 iso 5 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 numMergedOcc 0
114 mol 95 unq 0 iso 0 dist 9.03572 8.83255 6.59319 8.03644 16.6055 13.8105 numMergedOcc 0
115 mol 95 unq 0 iso 1 dist 9.03572 8.03644 16.6055 8.83255 6.59319 13.8105 numMergedOcc 0
116 mol 95 unq 0 iso 2 dist 8.83255 9.03572 6.59319 8.03644 13.8105 16.6055 numMergedOcc 0
117 mol 95 unq 0 iso 3 dist 8.83255 8.03644 13.8105 9.03572 6.59319 16.6055 numMergedOcc 0
118 mol 95 unq 0 iso 4 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 numMergedOcc 0
119 mol 95 unq 0 iso 5 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 numMergedOcc 0
120 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.10456 8.40073 9.42358 numMergedOcc 0
121 mol 98 unq 0 iso 1 dist 5.08437 6.10456 8.40073 6.48948 9.51923 9.42358 numMergedOcc 0
122 mol 98 unq 0 iso 2 dist 6.48948 5.08437 9.51923 6.10456 9.42358 8.40073 numMergedOcc 0
123 mol 98 unq 0 iso 3 dist 6.48948 6.10456 9.42358 5.08437 9.51923 8.40073 numMergedOcc 0
124 mol 98 unq 0 iso 4 dist 6.10456 5.08437 8.40073 6.48948 9.42358 9.51923 numMergedOcc 0
125 mol 98 unq 0 iso 5 dist 6.10456 6.48948 9.42358 5.08437 8.40073 9.51923 numMergedOcc 0
126 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 9.35224 7.80879 8.87654 numMergedOcc 0
127 mol 100 unq 0 iso 1 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 numMergedOcc 0
128 mol 100 unq 0 iso 2 dist 7.17106 9.60661 11.5403 9.35224 8.87654 7.80879 numMergedOcc 0
129 mol 100 unq 0 iso 3 dist 7.17106 9.35224 8.87654 9.60661 11.5403 7.80879 numMergedOcc 0
130 mol 100 unq 0 iso 4 dist 9.35224 9.60661 7.80879 7.17106 8.87654 11.5403 numMergedOcc 0
131 mol 100 unq 0 iso 5 dist 9.35224 7.17106 8.87654 9.60661 7.80879 11.5403 numMergedOcc 0
132 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 8.86688 9.71151 10.1407 numMergedOcc 0
133 mol 100 unq 1 iso 1 dist 6.45675 8.86688 9.71151 7.47343 5.33144 10.1407 numMergedOcc 0
134 mol 100 unq 1 iso 2 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 numMergedOcc 0
135 mol 100 unq 1 iso 3 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 numMergedOcc 0
136 mol 100 unq 1 iso 4 dist 8.86688 6.45675 9.71151 7.47343 10.1407 5.33144 numMergedOcc 0
137 mol 100 unq 1 iso 5 dist 8.86688 7.47343 10.1407 6.45675 9.71151 5.33144 numMergedOcc 0
138 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 numMergedOcc 0
139 mol 100 unq 2 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 numMergedOcc 0
140 mol 100 unq 2 iso 2 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 numMergedOcc 0
141 mol 100 unq 2 iso 3 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 numMergedOcc 0
142 mol 100 unq 2 iso 4 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 numMergedOcc 0
143 mol 100 unq 2 iso 5 dist 6.56369 6.65086 7.80879 7.47343 12.6515 8.8807 numMergedOcc 0
144 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 numMergedOcc 0
145 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 numMergedOcc 0
146 mol 100 unq 3 iso 2 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 numMergedOcc 0
147 mol 100 unq 3 iso 3 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 numMergedOcc 0
148 mol 100 unq 3 iso 4 dist 9.30209 7.47343 13.887 6.65086 5.38414 8.8807 numMergedOcc 0
149 mol 100 unq 3 iso 5 dist 9.30209 6.65086 5.38414 7.47343 13.887 8.8807 numMergedOcc 0
150 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 numMergedOcc 0
151 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 numMergedOcc 0
152 mol 100 unq 3 iso 2 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 numMergedOcc 0
153 mol 100 unq 3 iso 3 dist 6.56369 9.30209 6.39938 7.47343 12.6515 13.887 numMergedOcc 0
154 mol 100 unq 3 iso 4 dist 9.30209 7.47343 13.887 6.56369 6.39938 12.6515 numMergedOcc 0
155 mol 100 unq 3 iso 5 dist 9.30209 6.56369 6.39938 7.47343 13.887 12.6515 numMergedOcc 0
156 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 numMergedOcc 0
157 mol 100 unq 3 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 numMergedOcc 0
158 mol 100 unq 3 iso 2 dist 6.56369 6.65086 7.80879 9.30209 6.39938 5.38414 numMergedOcc 0
159 mol 100 unq 3 iso 3 dist 6.56369 9.30209 6.39938 6.65086 7.80879 5.38414 numMergedOcc 0
160 mol 100 unq 3 iso 4 dist 9.30209 6.65086 5.38414 6.56369 6.39938 7.80879 numMergedOcc 0
161 mol 100 unq 3 iso 5 dist 9.30209 6.56369 6.39938 6.65086 5.38414 7.80879 numMergedOcc 0
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163 mol 109 unq 0 iso 1 dist 7.34473 9.97763 8.40993 8.58044 7 6.94915 numMergedOcc 0
164 mol 109 unq 0 iso 2 dist 8.58044 7.34473 7 9.97763 6.94915 8.40993 numMergedOcc 0
165 mol 109 unq 0 iso 3 dist 8.58044 9.97763 6.94915 7.34473 7 8.40993 numMergedOcc 0
166 mol 109 unq 0 iso 4 dist 9.97763 7.34473 8.40993 8.58044 6.94915 7 numMergedOcc 0
167 mol 109 unq 0 iso 5 dist 9.97763 8.58044 6.94915 7.34473 8.40993 7 numMergedOcc 0
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169 mol 115 unq 0 iso 1 dist 7.30858 7.88312 11.5723 5.83991 10.8507 8.02349 numMergedOcc 0
170 mol 115 unq 0 iso 2 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 numMergedOcc 0
171 mol 115 unq 0 iso 3 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 numMergedOcc 0
172 mol 115 unq 0 iso 4 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 numMergedOcc 0
173 mol 115 unq 0 iso 5 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 numMergedOcc 0
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175 mol 117 unq 0 iso 1 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 numMergedOcc 0
176 mol 117 unq 0 iso 2 dist 7.83136 7.90328 7.22206 7.0603 7.21564 9.3584 numMergedOcc 0
177 mol 117 unq 0 iso 3 dist 7.83136 7.0603 7.21564 7.90328 7.22206 9.3584 numMergedOcc 0
178 mol 117 unq 0 iso 4 dist 7.0603 7.90328 9.3584 7.83136 7.21564 7.22206 numMergedOcc 0
179 mol 117 unq 0 iso 5 dist 7.0603 7.83136 7.21564 7.90328 9.3584 7.22206 numMergedOcc 0
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181 mol 131 unq 0 iso 1 dist 8.40312 6.85062 10.7062 7.12972 5.55373 6.63273 numMergedOcc 0
182 mol 131 unq 0 iso 2 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 numMergedOcc 0
183 mol 131 unq 0 iso 3 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 numMergedOcc 0
184 mol 131 unq 0 iso 4 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 numMergedOcc 0
185 mol 131 unq 0 iso 5 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 numMergedOcc 0
186 mol 133 unq 0 iso 0 dist 9.91388 9.52634 6.69554 7.24514 6.761 7.6656 numMergedOcc 0
187 mol 133 unq 0 iso 1 dist 9.91388 7.24514 6.761 9.52634 6.69554 7.6656 numMergedOcc 0
188 mol 133 unq 0 iso 2 dist 9.52634 9.91388 6.69554 7.24514 7.6656 6.761 numMergedOcc 0
189 mol 133 unq 0 iso 3 dist 9.52634 7.24514 7.6656 9.91388 6.69554 6.761 numMergedOcc 0
190 mol 133 unq 0 iso 4 dist 7.24514 9.91388 6.761 9.52634 7.6656 6.69554 numMergedOcc 0
191 mol 133 unq 0 iso 5 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 numMergedOcc 0
192 mol 133 unq 1 iso 0 dist 6.29155 6.80239 7.81217 8.00618 11.965 7.79672 numMergedOcc 0
193 mol 133 unq 1 iso 1 dist 6.29155 8.00618 11.965 6.80239 7.81217 7.79672 numMergedOcc 0
194 mol 133 unq 1 iso 2 dist 6.80239 6.29155 7.81217 8.00618 7.79672 11.965 numMergedOcc 0
195 mol 133 unq 1 iso 3 dist 6.80239 8.00618 7.79672 6.29155 7.81217 11.965 numMergedOcc 0
196 mol 133 unq 1 iso 4 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 numMergedOcc 0
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207 mol 142 unq 0 iso 3 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 numMergedOcc 0
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209 mol 142 unq 0 iso 5 dist 8.96657 7.73169 5.92693 9.2313 11.1395 5.50998 numMergedOcc 0
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215 mol 152 unq 0 iso 5 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 numMergedOcc 0
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219 mol 152 unq 1 iso 3 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 numMergedOcc 0
220 mol 152 unq 1 iso 4 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 numMergedOcc 0
221 mol 152 unq 1 iso 5 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 numMergedOcc 0
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223 mol 152 unq 2 iso 1 dist 8.56324 7.16148 10.6875 6.70283 7.65448 5.49936 numMergedOcc 0
224 mol 152 unq 2 iso 2 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 numMergedOcc 0
225 mol 152 unq 2 iso 3 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 numMergedOcc 0
226 mol 152 unq 2 iso 4 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 numMergedOcc 0
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231 mol 156 unq 0 iso 3 dist 9.06726 8.33171 5.64555 8.34702 6.31306 6.56229 numMergedOcc 0
232 mol 156 unq 0 iso 4 dist 8.33171 8.34702 6.56229 9.06726 5.64555 6.31306 numMergedOcc 0
233 mol 156 unq 0 iso 5 dist 8.33171 9.06726 5.64555 8.34702 6.56229 6.31306 numMergedOcc 0
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235 mol 156 unq 1 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 numMergedOcc 0
236 mol 156 unq 1 iso 2 dist 8.94056 7.44554 5.56175 9.83699 11.2719 8.38403 numMergedOcc 0
237 mol 156 unq 1 iso 3 dist 8.94056 9.83699 11.2719 7.44554 5.56175 8.38403 numMergedOcc 0
238 mol 156 unq 1 iso 4 dist 9.83699 7.44554 8.38403 8.94056 11.2719 5.56175 numMergedOcc 0
239 mol 156 unq 1 iso 5 dist 9.83699 8.94056 11.2719 7.44554 8.38403 5.56175 numMergedOcc 0
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241 mol 175 unq 0 iso 1 dist 9.0018 6.57069 8.16421 5.6234 6.2715 5.35493 numMergedOcc 0
242 mol 175 unq 0 iso 2 dist 5.6234 9.0018 6.2715 6.57069 5.35493 8.16421 numMergedOcc 0
243 mol 175 unq 0 iso 3 dist 5.6234 6.57069 5.35493 9.0018 6.2715 8.16421 numMergedOcc 0
244 mol 175 unq 0 iso 4 dist 6.57069 9.0018 8.16421 5.6234 5.35493 6.2715 numMergedOcc 0
245 mol 175 unq 0 iso 5 dist 6.57069 5.6234 5.35493 9.0018 8.16421 6.2715 numMergedOcc 0
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247 mol 178 unq 0 iso 1 dist 6.69288 7.17202 11.7381 6.43573 5.34677 9.89739 numMergedOcc 0
248 mol 178 unq 0 iso 2 dist 6.43573 6.69288 5.34677 7.17202 9.89739 11.7381 numMergedOcc 0
249 mol 178 unq 0 iso 3 dist 6.43573 7.17202 9.89739 6.69288 5.34677 11.7381 numMergedOcc 0
250 mol 178 unq 0 iso 4 dist 7.17202 6.69288 11.7381 6.43573 9.89739 5.34677 numMergedOcc 0
251 mol 178 unq 0 iso 5 dist 7.17202 6.43573 9.89739 6.69288 11.7381 5.34677 numMergedOcc 0
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253 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 6.43573 5.34677 10.5529 numMergedOcc 0
254 mol 178 unq 1 iso 2 dist 6.43573 6.69288 5.34677 8.81551 10.5529 14.0703 numMergedOcc 0
255 mol 178 unq 1 iso 3 dist 6.43573 8.81551 10.5529 6.69288 5.34677 14.0703 numMergedOcc 0
256 mol 178 unq 1 iso 4 dist 8.81551 6.69288 14.0703 6.43573 10.5529 5.34677 numMergedOcc 0
257 mol 178 unq 1 iso 5 dist 8.81551 6.43573 10.5529 6.69288 14.0703 5.34677 numMergedOcc 0
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259 mol 178 unq 1 iso 1 dist 6.69288 8.81551 14.0703 7.17202 11.7381 5.18005 numMergedOcc 0
260 mol 178 unq 1 iso 2 dist 7.17202 6.69288 11.7381 8.81551 5.18005 14.0703 numMergedOcc 0
261 mol 178 unq 1 iso 3 dist 7.17202 8.81551 5.18005 6.69288 11.7381 14.0703 numMergedOcc 0
262 mol 178 unq 1 iso 4 dist 8.81551 6.69288 14.0703 7.17202 5.18005 11.7381 numMergedOcc 0
263 mol 178 unq 1 iso 5 dist 8.81551 7.17202 5.18005 6.69288 14.0703 11.7381 numMergedOcc 0
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265 mol 178 unq 1 iso 1 dist 6.43573 8.81551 10.5529 7.17202 9.89739 5.18005 numMergedOcc 0
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267 mol 178 unq 1 iso 3 dist 7.17202 8.81551 5.18005 6.43573 9.89739 10.5529 numMergedOcc 0
268 mol 178 unq 1 iso 4 dist 8.81551 6.43573 10.5529 7.17202 5.18005 9.89739 numMergedOcc 0
269 mol 178 unq 1 iso 5 dist 8.81551 7.17202 5.18005 6.43573 10.5529 9.89739 numMergedOcc 0
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273 mol 181 unq 0 iso 3 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 numMergedOcc 0
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275 mol 181 unq 0 iso 5 dist 9.15386 5.98885 5.16002 9.1374 12.1628 8.88798 numMergedOcc 0
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279 mol 186 unq 0 iso 3 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 numMergedOcc 0
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285 mol 205 unq 0 iso 3 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 numMergedOcc 0
286 mol 205 unq 0 iso 4 dist 7.80463 6.03031 8.18714 7.26832 13.8543 7.38516 numMergedOcc 0
287 mol 205 unq 0 iso 5 dist 7.80463 7.26832 13.8543 6.03031 8.18714 7.38516 numMergedOcc 0
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292 mol 214 unq 0 iso 4 dist 8.85478 9.65138 4.40923 7.14453 11.3796 9.10746 numMergedOcc 0
293 mol 214 unq 0 iso 5 dist 8.85478 7.14453 11.3796 9.65138 4.40923 9.10746 numMergedOcc 0
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309 mol 224 unq 1 iso 3 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 numMergedOcc 0
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394 mol 236 unq 1 iso 4 dist 9.78037 8.03456 6.96005 6.84306 11.8739 5.79505 numMergedOcc 0
395 mol 236 unq 1 iso 5 dist 9.78037 6.84306 11.8739 8.03456 6.96005 5.79505 numMergedOcc 0
396 mol 236 unq 2 iso 0 dist 8.03456 6.84306 5.79505 8.35971 14.2337 14.7998 numMergedOcc 0
397 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 6.84306 5.79505 14.7998 numMergedOcc 0
398 mol 236 unq 2 iso 2 dist 6.84306 8.03456 5.79505 8.35971 14.7998 14.2337 numMergedOcc 0
399 mol 236 unq 2 iso 3 dist 6.84306 8.35971 14.7998 8.03456 5.79505 14.2337 numMergedOcc 0
400 mol 236 unq 2 iso 4 dist 8.35971 8.03456 14.2337 6.84306 14.7998 5.79505 numMergedOcc 0
401 mol 236 unq 2 iso 5 dist 8.35971 6.84306 14.7998 8.03456 14.2337 5.79505 numMergedOcc 0
402 mol 236 unq 1 iso 0 dist 8.03456 9.99038 9.90963 9.78037 6.96005 11.1557 numMergedOcc 0
403 mol 236 unq 1 iso 1 dist 8.03456 9.78037 6.96005 9.99038 9.90963 11.1557 numMergedOcc 0
404 mol 236 unq 1 iso 2 dist 9.99038 8.03456 9.90963 9.78037 11.1557 6.96005 numMergedOcc 0
405 mol 236 unq 1 iso 3 dist 9.99038 9.78037 11.1557 8.03456 9.90963 6.96005 numMergedOcc 0
406 mol 236 unq 1 iso 4 dist 9.78037 8.03456 6.96005 9.99038 11.1557 9.90963 numMergedOcc 0
407 mol 236 unq 1 iso 5 dist 9.78037 9.99038 11.1557 8.03456 6.96005 9.90963 numMergedOcc 0
408 mol 236 unq 2 iso 0 dist 8.03456 9.99038 9.90963 8.35971 14.2337 10.7497 numMergedOcc 0
409 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.99038 9.90963 10.7497 numMergedOcc 0
410 mol 236 unq 2 iso 2 dist 9.99038 8.03456 9.90963 8.35971 10.7497 14.2337 numMergedOcc 0
411 mol 236 unq 2 iso 3 dist 9.99038 8.35971 10.7497 8.03456 9.90963 14.2337 numMergedOcc 0
412 mol 236 unq 2 iso 4 dist 8.35971 8.03456 14.2337 9.99038 10.7497 9.90963 numMergedOcc 0
413 mol 236 unq 2 iso 5 dist 8.35971 9.99038 10.7497 8.03456 14.2337 9.90963 numMergedOcc 0
414 mol 236 unq 2 iso 0 dist 8.03456 9.78037 6.96005 8.35971 14.2337 12.0369 numMergedOcc 0
415 mol 236 unq 2 iso 1 dist 8.03456 8.35971 14.2337 9.78037 6.96005 12.0369 numMergedOcc 0
416 mol 236 unq 2 iso 2 dist 9.78037 8.03456 6.96005 8.35971 12.0369 14.2337 numMergedOcc 0
417 mol 236 unq 2 iso 3 dist 9.78037 8.35971 12.0369 8.03456 6.96005 14.2337 numMergedOcc 0
418 mol 236 unq 2 iso 4 dist 8.35971 8.03456 14.2337 9.78037 12.0369 6.96005 numMergedOcc 0
419 mol 236 unq 2 iso 5 dist 8.35971 9.78037 12.0369 8.03456 14.2337 6.96005 numMergedOcc 0
420 mol 236 unq 1 iso 0 dist 6.84306 9.99038 11.3368 9.78037 11.8739 11.1557 numMergedOcc 0
421 mol 236 unq 1 iso 1 dist 6.84306 9.78037 11.8739 9.99038 11.3368 11.1557 numMergedOcc 0
422 mol 236 unq 1 iso 2 dist 9.99038 6.84306 11.3368 9.78037 11.1557 11.8739 numMergedOcc 0
423 mol 236 unq 1 iso 3 dist 9.99038 9.78037 11.1557 6.84306 11.3368 11.8739 numMergedOcc 0
424 mol 236 unq 1 iso 4 dist 9.78037 6.84306 11.8739 9.99038 11.1557 11.3368 numMergedOcc 0
425 mol 236 unq 1 iso 5 dist 9.78037 9.99038 11.1557 6.84306 11.8739 11.3368 numMergedOcc 0
426 mol 236 unq 2 iso 0 dist 6.84306 9.99038 11.3368 8.35971 14.7998 10.7497 numMergedOcc 0
427 mol 236 unq 2 iso 1 dist 6.84306 8.35971 14.7998 9.99038 11.3368 10.7497 numMergedOcc 0
428 mol 236 unq 2 iso 2 dist 9.99038 6.84306 11.3368 8.35971 10.7497 14.7998 numMergedOcc 0
429 mol 236 unq 2 iso 3 dist 9.99038 8.35971 10.7497 6.84306 11.3368 14.7998 numMergedOcc 0
430 mol 236 unq 2 iso 4 dist 8.35971 6.84306 14.7998 9.99038 10.7497 11.3368 numMergedOcc 0
431 mol 236 unq 2 iso 5 dist 8.35971 9.99038 10.7497 6.84306 14.7998 11.3368 numMergedOcc 0
432 mol 236 unq 2 iso 0 dist 6.84306 9.78037 11.8739 8.35971 14.7998 12.0369 numMergedOcc 0
433 mol 236 unq 2 iso 1 dist 6.84306 8.35971 14.7998 9.78037 11.8739 12.0369 numMergedOcc 0
434 mol 236 unq 2 iso 2 dist 9.78037 6.84306 11.8739 8.35971 12.0369 14.7998 numMergedOcc 0
435 mol 236 unq 2 iso 3 dist 9.78037 8.35971 12.0369 6.84306 11.8739 14.7998 numMergedOcc 0
436 mol 236 unq 2 iso 4 dist 8.35971 6.84306 14.7998 9.78037 12.0369 11.8739 numMergedOcc 0
437 mol 236 unq 2 iso 5 dist 8.35971 9.78037 12.0369 6.84306 14.7998 11.8739 numMergedOcc 0
438 mol 236 unq 2 iso 0 dist 9.99038 9.78037 11.1557 8.35971 10.7497 12.0369 numMergedOcc 0
439 mol 236 unq 2 iso 1 dist 9.99038 8.35971 10.7497 9.78037 11.1557 12.0369 numMergedOcc 0
440 mol 236 unq 2 iso 2 dist 9.78037 9.99038 11.1557 8.35971 12.0369 10.7497 numMergedOcc 0
441 mol 236 unq 2 iso 3 dist 9.78037 8.35971 12.0369 9.99038 11.1557 10.7497 numMergedOcc 0
442 mol 236 unq 2 iso 4 dist 8.35971 9.99038 10.7497 9.78037 12.0369 11.1557 numMergedOcc 0
443 mol 236 unq 2 iso 5 dist 8.35971 9.78037 12.0369 9.99038 10.7497 11.1557 numMergedOcc 0
444 mol 236 unq 3 iso 0 dist 9.81562 7.68742 5.79505 6.27581 9.90963 11.3368 numMergedOcc 0
445 mol 236 unq 3 iso 1 dist 9.81562 6.27581 9.90963 7.68742 5.79505 11.3368 numMergedOcc 0
446 mol 236 unq 3 iso 2 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 numMergedOcc 0
447 mol 236 unq 3 iso 3 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 numMergedOcc 0
448 mol 236 unq 3 iso 4 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 numMergedOcc 0
449 mol 236 unq 3 iso 5 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 numMergedOcc 0
450 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 8.2965 10.8081 5.86196 numMergedOcc 0
451 mol 248 unq 0 iso 1 dist 7.69895 8.2965 10.8081 7.21521 5.55137 5.86196 numMergedOcc 0
452 mol 248 unq 0 iso 2 dist 7.21521 7.69895 5.55137 8.2965 5.86196 10.8081 numMergedOcc 0
453 mol 248 unq 0 iso 3 dist 7.21521 8.2965 5.86196 7.69895 5.55137 10.8081 numMergedOcc 0
454 mol 248 unq 0 iso 4 dist 8.2965 7.69895 10.8081 7.21521 5.86196 5.55137 numMergedOcc 0
455 mol 248 unq 0 iso 5 dist 8.2965 7.21521 5.86196 7.69895 10.8081 5.55137 numMergedOcc 0
456 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 numMergedOcc 0
457 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 numMergedOcc 0
458 mol 252 unq 0 iso 2 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 numMergedOcc 0
459 mol 252 unq 0 iso 3 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 numMergedOcc 0
460 mol 252 unq 0 iso 4 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 numMergedOcc 0
461 mol 252 unq 0 iso 5 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 numMergedOcc 0
462 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 numMergedOcc 0
463 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 numMergedOcc 0
464 mol 259 unq 0 iso 2 dist 7.84554 7.88519 4.86771 7.46176 7.64658 6.96053 numMergedOcc 0
465 mol 259 unq 0 iso 3 dist 7.84554 7.46176 7.64658 7.88519 4.86771 6.96053 numMergedOcc 0
466 mol 259 unq 0 iso 4 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 numMergedOcc 0
467 mol 259 unq 0 iso 5 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 numMergedOcc 0
468 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 numMergedOcc 0
469 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 numMergedOcc 0
470 mol 259 unq 1 iso 2 dist 7.84554 7.88519 4.86771 9.18903 5.87173 10.4881 numMergedOcc 0
471 mol 259 unq 1 iso 3 dist 7.84554 9.18903 5.87173 7.88519 4.86771 10.4881 numMergedOcc 0
472 mol 259 unq 1 iso 4 dist 9.18903 7.88519 10.4881 7.84554 5.87173 4.86771 numMergedOcc 0
473 mol 259 unq 1 iso 5 dist 9.18903 7.84554 5.87173 7.88519 10.4881 4.86771 numMergedOcc 0
474 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 numMergedOcc 0
475 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 numMergedOcc 0
476 mol 259 unq 1 iso 2 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 numMergedOcc 0
477 mol 259 unq 1 iso 3 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 numMergedOcc 0
478 mol 259 unq 1 iso 4 dist 9.18903 7.88519 10.4881 7.46176 10.5239 6.96053 numMergedOcc 0
479 mol 259 unq 1 iso 5 dist 9.18903 7.46176 10.5239 7.88519 10.4881 6.96053 numMergedOcc 0
480 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 9.18903 5.87173 10.5239 numMergedOcc 0
481 mol 259 unq 1 iso 1 dist 7.84554 9.18903 5.87173 7.46176 7.64658 10.5239 numMergedOcc 0
482 mol 259 unq 1 iso 2 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 numMergedOcc 0
483 mol 259 unq 1 iso 3 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 numMergedOcc 0
484 mol 259 unq 1 iso 4 dist 9.18903 7.84554 5.87173 7.46176 10.5239 7.64658 numMergedOcc 0
485 mol 259 unq 1 iso 5 dist 9.18903 7.46176 10.5239 7.84554 5.87173 7.64658 numMergedOcc 0
486 mol 261 unq 0 iso 0 dist 8.02547 8.43057 10.0727 6.05727 5.51688 4.63549 numMergedOcc 0
487 mol 261 unq 0 iso 1 dist 8.02547 6.05727 5.51688 8.43057 10.0727 4.63549 numMergedOcc 0
488 mol 261 unq 0 iso 2 dist 8.43057 8.02547 10.0727 6.05727 4.63549 5.51688 numMergedOcc 0
489 mol 261 unq 0 iso 3 dist 8.43057 6.05727 4.63549 8.02547 10.0727 5.51688 numMergedOcc 0
490 mol 261 unq 0 iso 4 dist 6.05727 8.02547 5.51688 8.43057 4.63549 10.0727 numMergedOcc 0
491 mol 261 unq 0 iso 5 dist 6.05727 8.43057 4.63549 8.02547 5.51688 10.0727 numMergedOcc 0
492 mol 273 unq 0 iso 0 dist 6.92774 9.01049 7.03728 9.2983 8.55278 8.05475 numMergedOcc 0
493 mol 273 unq 0 iso 1 dist 6.92774 9.2983 8.55278 9.01049 7.03728 8.05475 numMergedOcc 0
494 mol 273 unq 0 iso 2 dist 9.01049 6.92774 7.03728 9.2983 8.05475 8.55278 numMergedOcc 0
495 mol 273 unq 0 iso 3 dist 9.01049 9.2983 8.05475 6.92774 7.03728 8.55278 numMergedOcc 0
496 mol 273 unq 0 iso 4 dist 9.2983 6.92774 8.55278 9.01049 8.05475 7.03728 numMergedOcc 0
497 mol 273 unq 0 iso 5 dist 9.2983 9.01049 8.05475 6.92774 8.55278 7.03728 numMergedOcc 0
498 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 6.33524 5.39891 4.66602 numMergedOcc 0
499 mol 282 unq 0 iso 1 dist 8.04483 6.33524 5.39891 8.76532 10.0156 4.66602 numMergedOcc 0
500 mol 282 unq 0 iso 2 dist 8.76532 8.04483 10.0156 6.33524 4.66602 5.39891 numMergedOcc 0
501 mol 282 unq 0 iso 3 dist 8.76532 6.33524 4.66602 8.04483 10.0156 5.39891 numMergedOcc 0
502 mol 282 unq 0 iso 4 dist 6.33524 8.04483 5.39891 8.76532 4.66602 10.0156 numMergedOcc 0
503 mol 282 unq 0 iso 5 dist 6.33524 8.76532 4.66602 8.04483 5.39891 10.0156 numMergedOcc 0
