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1 mol 7 unq 0 iso 1 dist 9.68596 9.0379 6.7985 5.03847 6.14469 8.43473 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.02702 11.8172 8.72114 6.55304 6.14469 6.34041 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 8.72114 11.8172 6.02702 6.34041 6.14469 6.55304 numMergedOcc 0
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5 mol 9 unq 0 iso 1 dist 6.55811 6.14147 7.32257 6.02809 7.35972 8.50424 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 7.32257 10.5747 8.64915 8.50424 7.35972 4.98827 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 8.64915 10.5747 7.32257 4.98827 7.35972 8.50424 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 6.55811 5.06358 8.64915 6.02809 7.35972 4.98827 numMergedOcc 0
9 mol 9 unq 1 iso 1 dist 8.64915 5.06358 6.55811 4.98827 7.35972 6.02809 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 7.36018 5.06358 8.17347 6.02809 9.93542 4.98827 numMergedOcc 0
11 mol 9 unq 2 iso 1 dist 8.17347 5.06358 7.36018 4.98827 9.93542 6.02809 numMergedOcc 0
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13 mol 15 unq 0 iso 1 dist 7.07399 11.0528 5.89412 4.39605 6.03257 9.75966 numMergedOcc 0
14 mol 15 unq 1 iso 0 dist 6.42748 11.7498 7.48342 10.1154 6.03257 4.29582 numMergedOcc 0
15 mol 15 unq 1 iso 1 dist 7.48342 11.7498 6.42748 4.29582 6.03257 10.1154 numMergedOcc 0
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17 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 4.97119 9.95212 4.64838 numMergedOcc 0
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19 mol 19 unq 1 iso 1 dist 6.41423 5.80928 6.41575 7.08342 9.95212 9.74255 numMergedOcc 0
20 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 10.0815 5.86181 8.96335 numMergedOcc 0
21 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 8.96335 5.86181 10.0815 numMergedOcc 0
22 mol 20 unq 1 iso 0 dist 7.51452 16.5895 9.20198 13.457 6.3253 6.05944 numMergedOcc 0
23 mol 20 unq 1 iso 1 dist 9.20198 16.5895 7.51452 6.05944 6.3253 13.457 numMergedOcc 0
24 mol 20 unq 2 iso 0 dist 7.51452 16.5895 9.20198 11.3821 5.80568 7.46656 numMergedOcc 0
25 mol 20 unq 2 iso 1 dist 9.20198 16.5895 7.51452 7.46656 5.80568 11.3821 numMergedOcc 0
26 mol 24 unq 0 iso 0 dist 9.41441 11.4989 6.73939 4.32034 8.00171 11.9112 numMergedOcc 0
27 mol 24 unq 0 iso 1 dist 6.73939 11.4989 9.41441 11.9112 8.00171 4.32034 numMergedOcc 0
28 mol 24 unq 1 iso 0 dist 9.41441 11.4989 6.73939 12.2662 5.95834 6.56748 numMergedOcc 0
29 mol 24 unq 1 iso 1 dist 6.73939 11.4989 9.41441 6.56748 5.95834 12.2662 numMergedOcc 0
30 mol 24 unq 2 iso 0 dist 9.41441 11.4989 6.73939 8.67951 4.2121 4.50066 numMergedOcc 0
31 mol 24 unq 2 iso 1 dist 6.73939 11.4989 9.41441 4.50066 4.2121 8.67951 numMergedOcc 0
32 mol 24 unq 3 iso 0 dist 9.41441 11.4989 6.73939 8.52463 6.72323 5.11617 numMergedOcc 0
33 mol 24 unq 3 iso 1 dist 6.73939 11.4989 9.41441 5.11617 6.72323 8.52463 numMergedOcc 0
34 mol 24 unq 4 iso 0 dist 8.4051 15.5315 7.29868 12.176 6.72323 6.66749 numMergedOcc 0
35 mol 24 unq 4 iso 1 dist 7.29868 15.5315 8.4051 6.66749 6.72323 12.176 numMergedOcc 0
36 mol 24 unq 5 iso 0 dist 8.4051 14.6259 8.60554 12.176 6.72323 14.012 numMergedOcc 0
37 mol 24 unq 5 iso 1 dist 8.60554 14.6259 8.4051 14.012 6.72323 12.176 numMergedOcc 0
38 mol 24 unq 5 iso 0 dist 7.29868 10.0952 8.60554 6.66749 6.72323 14.012 numMergedOcc 0
39 mol 24 unq 5 iso 1 dist 8.60554 10.0952 7.29868 14.012 6.72323 6.66749 numMergedOcc 0
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41 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 9.34396 6.25843 7.33728 numMergedOcc 0
42 mol 25 unq 1 iso 0 dist 8.87757 15.5644 8.50222 13.9331 8.88938 10.5328 numMergedOcc 0
43 mol 25 unq 1 iso 1 dist 8.50222 15.5644 8.87757 10.5328 8.88938 13.9331 numMergedOcc 0
44 mol 25 unq 2 iso 0 dist 8.87757 16.1048 7.55264 7.33728 6.25843 10.8498 numMergedOcc 0
45 mol 25 unq 2 iso 1 dist 7.55264 16.1048 8.87757 10.8498 6.25843 7.33728 numMergedOcc 0
46 mol 25 unq 3 iso 0 dist 8.87757 16.1048 7.55264 13.9331 8.88938 10.4337 numMergedOcc 0
47 mol 25 unq 3 iso 1 dist 7.55264 16.1048 8.87757 10.4337 8.88938 13.9331 numMergedOcc 0
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49 mol 25 unq 4 iso 1 dist 7.45383 10.9391 6.16347 5.77929 6.25843 6.08585 numMergedOcc 0
50 mol 25 unq 2 iso 0 dist 8.50222 4.33106 7.55264 9.34396 6.25843 10.8498 numMergedOcc 0
51 mol 25 unq 2 iso 1 dist 7.55264 4.33106 8.50222 10.8498 6.25843 9.34396 numMergedOcc 0
52 mol 25 unq 3 iso 0 dist 8.50222 4.33106 7.55264 10.5328 8.88938 10.4337 numMergedOcc 0
53 mol 25 unq 3 iso 1 dist 7.55264 4.33106 8.50222 10.4337 8.88938 10.5328 numMergedOcc 0
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55 mol 26 unq 0 iso 1 dist 7.36856 7.96502 6.46104 5.81765 6.93197 7.23703 numMergedOcc 0
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59 mol 92 unq 0 iso 1 dist 6.97962 5.04493 5.9465 8.87994 6.77241 8.70803 numMergedOcc 0
60 mol 92 unq 1 iso 0 dist 5.9465 5.04493 6.97962 9.52327 5.50508 11.641 numMergedOcc 0
61 mol 92 unq 1 iso 1 dist 6.97962 5.04493 5.9465 11.641 5.50508 9.52327 numMergedOcc 0
62 mol 92 unq 2 iso 0 dist 5.9465 9.35561 9.95342 8.70803 6.77241 7.52639 numMergedOcc 0
63 mol 92 unq 2 iso 1 dist 9.95342 9.35561 5.9465 7.52639 6.77241 8.70803 numMergedOcc 0
64 mol 92 unq 3 iso 0 dist 5.9465 9.35561 9.95342 9.52327 5.50508 7.34683 numMergedOcc 0
65 mol 92 unq 3 iso 1 dist 9.95342 9.35561 5.9465 7.34683 5.50508 9.52327 numMergedOcc 0
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67 mol 92 unq 2 iso 1 dist 9.95342 12.7769 6.97962 7.52639 6.77241 8.87994 numMergedOcc 0
68 mol 92 unq 3 iso 0 dist 6.97962 12.7769 9.95342 11.641 5.50508 7.34683 numMergedOcc 0
69 mol 92 unq 3 iso 1 dist 9.95342 12.7769 6.97962 7.34683 5.50508 11.641 numMergedOcc 0
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73 mol 98 unq 1 iso 1 dist 5.59328 10.6225 5.78706 4.67519 7.14031 11.3905 numMergedOcc 0
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75 mol 98 unq 2 iso 1 dist 7.5242 12.7411 5.78706 10.4027 7.14031 11.3905 numMergedOcc 0
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77 mol 98 unq 3 iso 1 dist 4.47349 8.40073 6.7117 9.85543 7.36769 7.94178 numMergedOcc 0
78 mol 98 unq 4 iso 0 dist 6.7117 8.40073 4.47349 4.4057 6.88901 9.67482 numMergedOcc 0
79 mol 98 unq 4 iso 1 dist 4.47349 8.40073 6.7117 9.67482 6.88901 4.4057 numMergedOcc 0
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81 mol 98 unq 5 iso 1 dist 5.65185 10.2427 6.7117 7.28361 7.36769 7.94178 numMergedOcc 0
82 mol 98 unq 6 iso 0 dist 6.7117 10.2427 5.65185 4.4057 6.88901 12.0974 numMergedOcc 0
83 mol 98 unq 6 iso 1 dist 5.65185 10.2427 6.7117 12.0974 6.88901 4.4057 numMergedOcc 0
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85 mol 98 unq 1 iso 1 dist 5.59328 11.4338 7.23884 4.67519 7.14031 14.2646 numMergedOcc 0
86 mol 98 unq 2 iso 0 dist 7.23884 9.30161 7.5242 14.2646 7.14031 10.4027 numMergedOcc 0
87 mol 98 unq 2 iso 1 dist 7.5242 9.30161 7.23884 10.4027 7.14031 14.2646 numMergedOcc 0
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89 mol 98 unq 5 iso 1 dist 5.65185 5.02887 4.47349 7.28361 7.36769 9.85543 numMergedOcc 0
90 mol 98 unq 6 iso 0 dist 4.47349 5.02887 5.65185 9.67482 6.88901 12.0974 numMergedOcc 0
91 mol 98 unq 6 iso 1 dist 5.65185 5.02887 4.47349 12.0974 6.88901 9.67482 numMergedOcc 0
92 mol 98 unq 2 iso 0 dist 5.59328 7.72877 7.5242 4.67519 7.14031 10.4027 numMergedOcc 0
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99 mol 100 unq 2 iso 1 dist 8.30845 5.88134 7.01812 15.3454 9.5057 10.6848 numMergedOcc 0
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103 mol 125 unq 1 iso 1 dist 9.3778 5.20403 9.08382 9.20086 6.33431 6.40824 numMergedOcc 0
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107 mol 125 unq 2 iso 1 dist 7.47069 11.8325 9.3778 9.44075 6.33431 9.20086 numMergedOcc 0
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129 mol 171 unq 1 iso 1 dist 5.93786 4.91149 6.64834 7.9651 5.25109 4.78075 numMergedOcc 0
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131 mol 171 unq 2 iso 1 dist 8.24693 11.6409 6.64834 8.05069 7.22518 6.45673 numMergedOcc 0
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133 mol 171 unq 3 iso 1 dist 8.24693 11.6409 6.64834 12.6853 5.25109 4.78075 numMergedOcc 0
134 mol 171 unq 4 iso 0 dist 6.64834 5.51687 7.36698 6.45673 7.22518 11.2785 numMergedOcc 0
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140 mol 171 unq 3 iso 0 dist 5.93786 7.31409 8.24693 7.9651 5.25109 12.6853 numMergedOcc 0
141 mol 171 unq 3 iso 1 dist 8.24693 7.31409 5.93786 12.6853 5.25109 7.9651 numMergedOcc 0
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196 mol 274 unq 2 iso 0 dist 7.46394 6.15918 7.1729 11.1602 7.75216 5.71192 numMergedOcc 0
197 mol 274 unq 2 iso 1 dist 7.1729 6.15918 7.46394 5.71192 7.75216 11.1602 numMergedOcc 0
198 mol 274 unq 1 iso 0 dist 9.45514 11.7196 8.91672 6.52035 7.75216 5.58338 numMergedOcc 0
199 mol 274 unq 1 iso 1 dist 8.91672 11.7196 9.45514 5.58338 7.75216 6.52035 numMergedOcc 0
200 mol 274 unq 2 iso 0 dist 9.45514 6.828 7.1729 6.52035 7.75216 5.71192 numMergedOcc 0
201 mol 274 unq 2 iso 1 dist 7.1729 6.828 9.45514 5.71192 7.75216 6.52035 numMergedOcc 0
202 mol 274 unq 2 iso 0 dist 8.91672 10.0083 7.1729 5.58338 7.75216 5.71192 numMergedOcc 0
203 mol 274 unq 2 iso 1 dist 7.1729 10.0083 8.91672 5.71192 7.75216 5.58338 numMergedOcc 0
204 mol 274 unq 3 iso 0 dist 8.52587 11.3308 6.39866 6.20558 6.88827 6.16703 numMergedOcc 0
205 mol 274 unq 3 iso 1 dist 6.39866 11.3308 8.52587 6.16703 6.88827 6.20558 numMergedOcc 0
206 mol 274 unq 4 iso 0 dist 8.52587 11.3308 6.39866 16.3619 9.16942 5.64601 numMergedOcc 0
207 mol 274 unq 4 iso 1 dist 6.39866 11.3308 8.52587 5.64601 9.16942 16.3619 numMergedOcc 0
