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1 mol 16 unq 0 iso 0 dist 8.33883 5.45161 6.31718 9.79958 10.8455 7.63133 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.84479 5.35079 6.31718 9.18436 6.92781 5.05803 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 5.84479 6.53177 7.63133 8.67719 5.32694 5.46498 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 5.84479 6.53177 7.63133 13.4596 10.4155 8.71745 numMergedOcc 0
5 mol 16 unq 4 iso 0 dist 8.67719 6.53177 5.46498 5.84479 5.32694 7.63133 numMergedOcc 0
6 mol 16 unq 5 iso 0 dist 8.67719 6.53177 5.46498 13.4596 5.74188 8.71745 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 10.6042 10.0952 6.86014 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.74445 14.445 6.20293 13.964 5.06502 5.73819 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 15.3221 6.45462 8.93915 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 12.9335 5.30792 6.86465 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 7.84983 11.5882 6.62496 9.56737 4.81926 6.35756 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 12.9335 5.35073 6.86465 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 9.56737 11.5882 6.35756 7.84983 4.81926 6.62496 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 10.9217 6.54743 8.90863 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 5.83937 9.96073 6.43294 14.8574 10.1562 8.33063 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 5.83937 9.96073 6.43294 11.1212 5.67502 8.7531 numMergedOcc 0
17 mol 60 unq 3 iso 0 dist 8.82095 5.63638 6.65595 6.27749 6.54743 8.90863 numMergedOcc 0
18 mol 60 unq 4 iso 0 dist 8.82095 13.6099 6.43294 17.2674 10.1562 8.33063 numMergedOcc 0
19 mol 60 unq 5 iso 0 dist 8.82095 13.6099 6.43294 10.5768 5.67502 8.7531 numMergedOcc 0
20 mol 60 unq 6 iso 0 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 7.26679 15.7123 9.96396 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 9.68526 8.31041 9.38498 9.30776 13.7412 9.75218 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 9.72442 11.7069 9.38498 13.2514 13.7412 9.75218 numMergedOcc 0
25 mol 73 unq 4 iso 0 dist 6.89722 10.4716 9.96396 11.7436 15.7123 9.38498 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 6.89722 10.4716 9.96396 14.4206 12.016 9.75218 numMergedOcc 0
27 mol 73 unq 6 iso 0 dist 7.26679 8.31041 9.96396 9.68526 15.7123 9.38498 numMergedOcc 0
28 mol 73 unq 7 iso 0 dist 7.26679 8.31041 9.96396 9.30776 12.016 9.75218 numMergedOcc 0
29 mol 73 unq 8 iso 0 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 numMergedOcc 0
30 mol 73 unq 9 iso 0 dist 9.30776 8.31041 9.75218 9.68526 13.7412 9.38498 numMergedOcc 0
31 mol 92 unq 0 iso 0 dist 9.514 11.8037 7.4729 13.0248 8.95922 6.82344 numMergedOcc 0
32 mol 95 unq 0 iso 0 dist 8.54906 12.3193 9.01083 12.848 5.53837 7.2658 numMergedOcc 0
33 mol 109 unq 0 iso 0 dist 8.21889 5.5332 7.34473 9.74643 7 8.58044 numMergedOcc 0
34 mol 109 unq 1 iso 0 dist 8.21889 5.5332 7.34473 6.86702 8.40993 9.97763 numMergedOcc 0
35 mol 109 unq 2 iso 0 dist 9.74643 5.5332 8.58044 8.21889 7 7.34473 numMergedOcc 0
36 mol 109 unq 3 iso 0 dist 9.74643 5.5332 8.58044 6.86702 6.94915 9.97763 numMergedOcc 0
37 mol 109 unq 4 iso 0 dist 6.86702 5.5332 9.97763 8.21889 8.40993 7.34473 numMergedOcc 0
38 mol 109 unq 5 iso 0 dist 6.86702 5.5332 9.97763 9.74643 6.94915 8.58044 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 6.7225 5.39296 5.11551 10.2695 6.5838 7.11972 numMergedOcc 0
40 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 14.7579 7.22206 7.83136 numMergedOcc 0
41 mol 117 unq 1 iso 0 dist 7.70533 14.3476 7.90328 16.223 9.3584 7.0603 numMergedOcc 0
42 mol 117 unq 2 iso 0 dist 9.85576 10.4589 7.90328 12.1493 13.1058 9.84395 numMergedOcc 0
43 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 12.4824 7.30196 8.14887 numMergedOcc 0
44 mol 129 unq 0 iso 0 dist 6.29026 11.5533 8.54584 10.5241 4.61027 8.53613 numMergedOcc 0
45 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 19.4361 10.7062 8.40312 numMergedOcc 0
46 mol 131 unq 1 iso 0 dist 8.97145 14.257 6.85062 14.5129 6.63273 7.12972 numMergedOcc 0
47 mol 131 unq 2 iso 0 dist 6.5874 7.60371 6.85062 15.1013 10.7062 8.40312 numMergedOcc 0
48 mol 131 unq 3 iso 0 dist 6.5874 7.60371 6.85062 11.4628 6.63273 7.12972 numMergedOcc 0
49 mol 133 unq 0 iso 0 dist 9.48243 11.6637 9.91388 11.0972 6.69554 9.52634 numMergedOcc 0
50 mol 133 unq 1 iso 0 dist 9.48243 11.6637 9.91388 14.1743 6.761 7.24514 numMergedOcc 0
51 mol 133 unq 2 iso 0 dist 8.84018 8.00493 6.5107 15.1254 9.56949 9.52634 numMergedOcc 0
52 mol 133 unq 3 iso 0 dist 9.4473 15.4455 8.22656 15.6584 6.65743 7.24514 numMergedOcc 0
53 mol 133 unq 4 iso 0 dist 6.11955 7.96098 6.80239 10.4171 7.81217 6.29155 numMergedOcc 0
54 mol 133 unq 5 iso 0 dist 6.11955 7.96098 6.80239 11.5405 7.79672 8.00618 numMergedOcc 0
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59 mol 152 unq 1 iso 0 dist 8.89982 13.2491 8.56324 18.3598 10.6875 7.16148 numMergedOcc 0
60 mol 152 unq 2 iso 0 dist 9.10619 13.9994 6.70283 13.6844 5.42328 5.87555 numMergedOcc 0
61 mol 152 unq 3 iso 0 dist 9.10619 13.9994 6.70283 15.1988 6.4896 8.67331 numMergedOcc 0
62 mol 152 unq 4 iso 0 dist 9.10619 14.2552 7.16148 13.6844 5.42328 8.87437 numMergedOcc 0
63 mol 152 unq 5 iso 0 dist 9.10619 14.2552 7.16148 15.1988 6.4896 8.05741 numMergedOcc 0
64 mol 152 unq 6 iso 0 dist 9.74498 10.7816 8.67331 12.7397 5.54906 5.87555 numMergedOcc 0
65 mol 152 unq 7 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 numMergedOcc 0
66 mol 152 unq 8 iso 0 dist 9.74498 7.26476 8.05741 12.7397 5.54906 8.87437 numMergedOcc 0
67 mol 152 unq 9 iso 0 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 numMergedOcc 0
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70 mol 156 unq 2 iso 0 dist 9.16591 9.27577 9.83699 13.6067 8.38403 7.44554 numMergedOcc 0
71 mol 156 unq 3 iso 0 dist 9.16591 9.27577 9.83699 16.4964 11.2719 8.94056 numMergedOcc 0
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75 mol 175 unq 3 iso 0 dist 5.08206 7.28617 5.6234 11.7895 7.42466 9.92231 numMergedOcc 0
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85 mol 224 unq 6 iso 0 dist 9.53131 9.59595 8.95269 10.7064 4.70378 6.57273 numMergedOcc 0
86 mol 224 unq 7 iso 0 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 numMergedOcc 0
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92 mol 224 unq 13 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 numMergedOcc 0
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100 mol 224 unq 21 iso 0 dist 9.29703 4.8786 5.78342 11.1052 8.49799 6.57273 numMergedOcc 0
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102 mol 224 unq 23 iso 0 dist 9.29703 7.18448 9.16166 11.1052 8.49799 6.60589 numMergedOcc 0
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118 mol 236 unq 4 iso 0 dist 9.10613 6.0258 8.04248 12.9448 7.43758 8.35971 numMergedOcc 0
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125 mol 259 unq 3 iso 0 dist 7.93997 14.8465 7.46176 14.9816 7.64658 7.84554 numMergedOcc 0
126 mol 259 unq 4 iso 0 dist 7.93997 14.8465 7.46176 17.3348 10.5239 9.18903 numMergedOcc 0
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128 mol 261 unq 1 iso 0 dist 9.62828 10.5691 8.02547 13.3636 5.51688 6.05727 numMergedOcc 0
129 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 16.8589 10.3202 9.361 numMergedOcc 0
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131 mol 272 unq 1 iso 0 dist 6.94346 9.58279 8.33638 11.7245 5.40809 8.46116 numMergedOcc 0
132 mol 280 unq 0 iso 0 dist 8.85762 4.95798 6.0664 11.1402 5.51836 6.53701 numMergedOcc 0
