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
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 33 37 0 0 1
M V30 BEGIN ATOM
M V30 1 Cl 0.948600 -2.048100 0.000000 0
M V30 2 F 0.955000 -0.398100 0.000000 0
M V30 3 O -1.909300 -2.037100 0.000000 0
M V30 4 O 4.008200 0.582900 0.000000 0
M V30 5 N -1.136300 0.919700 0.000000 0
M V30 6 N -0.878400 1.703400 0.000000 0
M V30 7 N 3.711200 1.980600 0.000000 0
M V30 8 N 3.159100 2.593700 0.000000 0
M V30 9 N 2.055100 3.819900 0.000000 0
M V30 10 N -2.615700 0.027900 0.000000 0
M V30 11 C -1.912400 -2.862200 0.000000 0
M V30 12 C -2.327600 -3.575100 0.000000 0
M V30 13 C -1.502600 -3.578100 0.000000 0
M V30 14 C -1.193200 -1.627300 0.000000 0
M V30 15 C -1.189900 -0.802400 0.000000 0
M V30 16 C -0.474000 -0.392600 0.000000 0
M V30 17 C -0.470700 0.432100 0.000000 0
M V30 18 C -0.480300 -2.042700 0.000000 0
M V30 19 C 0.198500 0.914600 0.000000 0
M V30 20 C 0.982100 0.656600 0.000000 0
M V30 21 C 0.238800 -0.808000 0.000000 0
M V30 22 C 0.235700 -1.632900 0.000000 0
M V30 23 C 2.097200 1.637600 0.000000 0
M V30 24 C 1.254000 1.471900 0.000000 0
M V30 25 C -0.053300 1.700300 0.000000 0
M V30 26 C 2.649300 1.024500 0.000000 0
M V30 27 C 1.557100 0.018100 0.000000 0
M V30 28 C 2.396400 0.203100 0.000000 0
M V30 29 C 2.352200 2.422200 0.000000 0
M V30 30 C -1.902900 -0.387100 0.000000 0
M V30 31 C -1.921900 0.667800 0.000000 0
M V30 32 C 3.456200 1.196000 0.000000 0
M V30 33 C 1.800100 3.035300 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 22
M V30 2 1 2 21
M V30 3 1 3 11
M V30 4 1 3 14
M V30 5 2 4 32
M V30 6 1 5 6
M V30 7 1 5 17
M V30 8 1 5 31
M V30 9 2 6 25
M V30 10 1 7 8
M V30 11 1 7 32
M V30 12 2 8 29
M V30 13 1 9 33
M V30 14 3 10 30
M V30 15 1 11 12
M V30 16 1 11 13
M V30 17 1 12 13
M V30 18 1 14 15
M V30 19 2 14 18
M V30 20 2 15 16
M V30 21 1 15 30
M V30 22 1 16 17
M V30 23 1 16 21
M V30 24 2 17 19
M V30 25 1 18 22
M V30 26 1 19 20
M V30 27 1 19 25
M V30 28 2 20 24
M V30 29 1 20 27
M V30 30 2 21 22
M V30 31 1 23 24
M V30 32 2 23 26
M V30 33 1 23 29
M V30 34 1 26 28
M V30 35 1 26 32
M V30 36 2 27 28
M V30 37 1 29 33
M V30 END BOND
M V30 END CTAB
M END
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