1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117
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RDKit 3D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 53 52 0 0 0
M V30 BEGIN ATOM
M V30 1 F -5.636401 -0.827837 -3.588349 0
M V30 2 C -4.735442 -1.136933 -2.562295 0
M V30 3 F -3.956255 -2.201108 -2.928513 0
M V30 4 F -5.548975 -1.483826 -1.495729 0
M V30 5 C -3.948018 0.123221 -2.329747 0
M V30 6 C -2.892323 0.026784 -1.269502 0
M V30 7 C -3.472139 -0.313216 0.045159 0
M V30 8 C -2.438073 -0.416156 1.178728 0
M V30 9 C -3.268598 -0.773328 2.393606 0
M V30 10 F -4.219104 0.192257 2.677396 0
M V30 11 F -2.557065 -1.196891 3.466637 0
M V30 12 F -4.019787 -1.890843 1.980546 0
M V30 13 C -1.710242 0.890758 1.319923 0
M V30 14 C -0.678715 0.897384 2.396231 0
M V30 15 C 0.431630 -0.051542 2.280628 0
M V30 16 C 1.353628 0.174539 3.536747 0
M V30 17 F 2.413170 -0.674812 3.504797 0
M V30 18 F 1.677234 1.500669 3.637990 0
M V30 19 F 0.561469 -0.156758 4.615762 0
M V30 20 C 1.225164 -0.296400 1.106938 0
M V30 21 C 2.100577 0.637518 0.397680 0
M V30 22 C 1.502259 1.834644 -0.199912 0
M V30 23 F 0.841628 2.682523 0.661238 0
M V30 24 F 2.582867 2.704003 -0.631820 0
M V30 25 F 0.732095 1.624683 -1.323580 0
M V30 26 C 2.877757 -0.141810 -0.688678 0
M V30 27 C 3.793950 0.685025 -1.508976 0
M V30 28 C 4.572390 -0.142790 -2.516737 0
M V30 29 C 5.446315 -1.198499 -1.936088 0
M V30 30 F 6.124318 -1.867399 -2.981258 0
M V30 31 F 6.368303 -0.750901 -1.052131 0
M V30 32 F 4.681934 -2.201946 -1.348086 0
M V30 33 H -3.497811 0.380322 -3.332548 0
M V30 34 H -4.678013 0.931790 -2.094314 0
M V30 35 H -2.329040 0.982512 -1.290146 0
M V30 36 H -2.195869 -0.797163 -1.611166 0
M V30 37 H -4.175195 0.484648 0.362956 0
M V30 38 H -3.985147 -1.315253 0.054970 0
M V30 39 H -1.745451 -1.222601 0.971079 0
M V30 40 H -1.236655 1.095816 0.351458 0
M V30 41 H -2.473183 1.673608 1.472041 0
M V30 42 H -0.348936 1.915957 2.613644 0
M V30 43 H -1.217489 0.636514 3.405614 0
M V30 44 H -0.043447 -1.082387 2.552962 0
M V30 45 H 1.928103 -1.194504 1.376487 0
M V30 46 H 0.549780 -0.861165 0.352077 0
M V30 47 H 2.950967 1.010968 1.059682 0
M V30 48 H 3.384767 -0.957187 -0.128756 0
M V30 49 H 2.150030 -0.638483 -1.370923 0
M V30 50 H 3.175959 1.412596 -2.119973 0
M V30 51 H 4.527467 1.245632 -0.909278 0
M V30 52 H 5.209934 0.595393 -3.087115 0
M V30 53 H 3.843675 -0.548024 -3.248539 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 2 4
M V30 4 1 2 5
M V30 5 1 5 6
M V30 6 1 6 7
M V30 7 1 7 8
M V30 8 1 8 9
M V30 9 1 9 10
M V30 10 1 9 11
M V30 11 1 9 12
M V30 12 1 8 13
M V30 13 1 13 14
M V30 14 1 14 15
M V30 15 1 15 16
M V30 16 1 16 17
M V30 17 1 16 18
M V30 18 1 16 19
M V30 19 1 15 20
M V30 20 1 20 21
M V30 21 1 21 22
M V30 22 1 22 23
M V30 23 1 22 24
M V30 24 1 22 25
M V30 25 1 21 26
M V30 26 1 26 27
M V30 27 1 27 28
M V30 28 1 28 29
M V30 29 1 29 30
M V30 30 1 29 31
M V30 31 1 29 32
M V30 32 1 5 33
M V30 33 1 5 34
M V30 34 1 6 35
M V30 35 1 6 36
M V30 36 1 7 37
M V30 37 1 7 38
M V30 38 1 8 39
M V30 39 1 13 40
M V30 40 1 13 41
M V30 41 1 14 42
M V30 42 1 14 43
M V30 43 1 15 44
M V30 44 1 20 45
M V30 45 1 20 46
M V30 46 1 21 47
M V30 47 1 26 48
M V30 48 1 26 49
M V30 49 1 27 50
M V30 50 1 27 51
M V30 51 1 28 52
M V30 52 1 28 53
M V30 END BOND
M V30 END CTAB
M END
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