File: Sotorasib_atrop2.mrv.nosan.expected.sdf

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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 45 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 2.640992 4.303791 0.000000 0
M  V30 2 F 6.697108 0.411920 0.000000 0
M  V30 3 O -5.378105 4.197031 0.000000 0
M  V30 4 O 1.289140 -4.271501 0.000000 0
M  V30 5 O 4.047904 5.041402 0.000000 0
M  V30 6 N -1.377795 0.347528 0.000000 0
M  V30 7 N -4.044731 1.887329 0.000000 0
M  V30 8 N 2.622328 -1.961800 0.000000 0
M  V30 9 N -0.044234 -1.961800 0.000000 0
M  V30 10 N 4.023640 0.357980 0.000000 0
M  V30 11 N 6.622824 -2.731700 0.000000 0
M  V30 12 C -2.710983 -0.421999 0.000000 0
M  V30 13 C -4.044731 0.347528 0.000000 0
M  V30 14 C -1.377422 1.887516 0.000000 0
M  V30 15 C -2.710983 2.657230 0.000000 0
M  V30 16 C -0.044234 -0.421999 0.000000 0
M  V30 17 C -2.710983 -1.961800 0.000000 0
M  V30 18 C 1.289140 0.347715 0.000000 0
M  V30 19 C -5.378105 2.657043 0.000000 0
M  V30 20 C 2.622328 -0.421812 0.000000 0
M  V30 21 C 3.956075 -2.731700 0.000000 0
M  V30 22 C 1.289140 -2.731700 0.000000 0
M  V30 23 C 1.264130 1.951348 0.000000 0
M  V30 24 C 5.289637 -1.961800 0.000000 0
M  V30 25 C 6.279215 -0.782032 0.000000 0
M  V30 26 C -6.711666 1.887329 0.000000 0
M  V30 27 C 2.647151 2.763803 0.000000 0
M  V30 28 C 3.956075 -4.271501 0.000000 0
M  V30 29 C 4.035959 1.961986 0.000000 0
M  V30 30 C 7.795686 -1.049304 0.000000 0
M  V30 31 C 5.752510 0.664447 0.000000 0
M  V30 32 C 5.289450 -5.041402 0.000000 0
M  V30 33 C 5.372692 2.726848 0.000000 0
M  V30 34 C 2.622328 -5.041402 0.000000 0
M  V30 35 C 6.622824 -4.271501 0.000000 0
M  V30 36 C -8.045414 2.657043 0.000000 0
M  V30 37 C 5.378292 4.266275 0.000000 0
M  V30 38 C 6.702894 1.951721 0.000000 0
M  V30 39 C 6.715026 5.031137 0.000000 0
M  V30 40 C 8.039441 2.716396 0.000000 0
M  V30 41 C 8.045414 4.256197 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 27
M  V30 2 1 2 38
M  V30 3 2 3 19
M  V30 4 2 4 22
M  V30 5 1 5 37
M  V30 6 1 6 12
M  V30 7 1 6 14
M  V30 8 1 6 16
M  V30 9 1 7 13
M  V30 10 1 7 15
M  V30 11 1 7 19
M  V30 12 1 8 20
M  V30 13 1 8 21
M  V30 14 1 8 22
M  V30 15 2 9 16
M  V30 16 1 9 22
M  V30 17 2 10 20
M  V30 18 1 10 29
M  V30 19 1 11 24
M  V30 20 2 11 35
M  V30 21 1 12 13
M  V30 22 1 12 17 CFG=3
M  V30 23 1 14 15
M  V30 24 1 16 18
M  V30 25 1 18 20
M  V30 26 2 18 23
M  V30 27 1 19 26
M  V30 28 2 21 24
M  V30 29 1 21 28 CFG=3
M  V30 30 1 23 27
M  V30 31 1 24 25
M  V30 32 1 25 30
M  V30 33 1 25 31
M  V30 34 2 26 36
M  V30 35 2 27 29
M  V30 36 2 28 32
M  V30 37 1 28 34
M  V30 38 1 29 33
M  V30 39 1 32 35
M  V30 40 2 33 37
M  V30 41 1 33 38
M  V30 42 1 37 39
M  V30 43 2 38 40
M  V30 44 2 39 41
M  V30 45 1 40 41
M  V30 END BOND
M  V30 END CTAB
M  END