U8G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C43 | C42 | sing | 0.00Å | 1.48Å | |
C40 | C42 | doub | 0.00Å | 1.37Å | Aromatic |
C40 | N07 | sing | 0.00Å | 1.42Å | Aromatic |
C42 | N04 | sing | 0.00Å | 1.41Å | Aromatic |
N07 | C36 | sing | 0.00Å | 1.43Å | |
N07 | C31 | doub | 0.00Å | 1.36Å | Aromatic |
N04 | C32 | sing | 0.00Å | 1.45Å | |
N04 | C31 | sing | 0.00Å | 1.37Å | Aromatic |
C31 | RH01 | sing | 0.00Å | 2.11Å | |
C32 | H1 | sing | 0.00Å | 1.10Å | |
C32 | H2 | sing | 0.00Å | 1.10Å | |
C32 | H3 | sing | 0.00Å | 1.10Å | |
C36 | H4 | sing | 0.00Å | 1.10Å | |
C36 | H5 | sing | 0.00Å | 1.10Å | |
C36 | H6 | sing | 0.00Å | 1.10Å | |
C40 | H7 | sing | 0.00Å | 1.08Å | |
C43 | H8 | sing | 0.00Å | 1.10Å | |
C43 | H9 | sing | 0.00Å | 1.10Å | |
C43 | C1 | sing | 0.00Å | 49.15Å | |
C1 | C2 | sing | 0.00Å | 0.00Å | |
C1 | N1 | sing | 0.00Å | 0.00Å | |
N1 | C4 | sing | 0.00Å | 0.00Å | |
C2 | O2 | sing | 0.00Å | 0.00Å | |
C2 | O1 | doub | 0.00Å | 0.00Å | |
O2 | C7 | sing | 0.00Å | 0.00Å | |
C4 | O3 | sing | 0.00Å | 0.00Å | |
C4 | O4 | doub | 0.00Å | 0.00Å | |
O3 | C6 | sing | 0.00Å | 0.00Å | |
C6 | C8 | sing | 0.00Å | 0.00Å | |
C6 | C9 | sing | 0.00Å | 0.00Å | |
C6 | C10 | sing | 0.00Å | 0.00Å | |
C1 | H10 | sing | 0.00Å | 0.00Å | |
N1 | H12 | sing | 0.00Å | 0.00Å | |
C7 | H13 | sing | 0.00Å | 0.00Å | |
C7 | H14 | sing | 0.00Å | 0.00Å | |
C7 | H15 | sing | 0.00Å | 0.00Å | |
C8 | H16 | sing | 0.00Å | 0.00Å | |
C8 | H17 | sing | 0.00Å | 0.00Å | |
C8 | H18 | sing | 0.00Å | 0.00Å | |
C9 | H19 | sing | 0.00Å | 0.00Å | |
C9 | H20 | sing | 0.00Å | 0.00Å | |
C9 | H21 | sing | 0.00Å | 0.00Å | |
C10 | H22 | sing | 0.00Å | 0.00Å | |
C10 | H23 | sing | 0.00Å | 0.00Å | |
C10 | H24 | sing | 0.00Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C43 | C42 | C40 | 137.2° | 90.0° |
C43 | C42 | N04 | 117.0° | 90.0° |
C42 | C43 | H8 | 122.6° | 90.0° |
C42 | C43 | H9 | 122.7° | 90.0° |
C42 | C43 | C1 | 41.6° | 90.0° |
C42 | C40 | N07 | 105.2° | 90.0° |
C40 | C42 | N04 | 105.8° | 90.0° |
C42 | C40 | H7 | 127.4° | 90.0° |
C40 | N07 | C36 | 123.0° | 90.0° |
C40 | N07 | C31 | 113.5° | 90.0° |
N07 | C40 | H7 | 127.4° | 90.0° |
C42 | N04 | C32 | 120.1° | 90.0° |
C42 | N04 | C31 | 113.1° | 90.0° |
C36 | N07 | C31 | 123.3° | 90.0° |
N07 | C36 | H4 | 109.5° | 90.0° |
N07 | C36 | H5 | 109.5° | 90.0° |
N07 | C36 | H6 | 109.5° | 90.0° |
N07 | C31 | N04 | 102.2° | 90.0° |
N07 | C31 | RH01 | 129.9° | 90.0° |
C32 | N04 | C31 | 126.7° | 90.0° |
N04 | C32 | H1 | 109.5° | 90.0° |
N04 | C32 | H2 | 109.5° | 90.0° |
N04 | C32 | H3 | 109.4° | 90.0° |
N04 | C31 | RH01 | 127.6° | 90.0° |
H1 | C32 | H2 | 109.5° | 90.0° |
H1 | C32 | H3 | 109.5° | 90.0° |
H2 | C32 | H3 | 109.5° | 90.0° |
H4 | C36 | H5 | 109.5° | 90.0° |
H4 | C36 | H6 | 109.5° | 90.0° |
H5 | C36 | H6 | 109.5° | 90.0° |
H8 | C43 | H9 | 109.5° | 90.0° |
H8 | C43 | C1 | 122.7° | 90.0° |
H9 | C43 | C1 | 122.6° | 90.0° |
C43 | C1 | C2 | 90.0° | 90.0° |
C43 | C1 | N1 | 90.0° | 90.0° |
C43 | C1 | H10 | 90.0° | 90.0° |
C2 | C1 | N1 | 90.0° | 90.0° |
C1 | C2 | O2 | 90.0° | 90.0° |
C1 | C2 | O1 | 90.0° | 90.0° |
C2 | C1 | H10 | 90.0° | 90.0° |
C1 | N1 | C4 | 90.0° | 90.0° |
N1 | C1 | H10 | 90.0° | 90.0° |
C1 | N1 | H12 | 90.0° | 90.0° |
N1 | C4 | O3 | 90.0° | 90.0° |
N1 | C4 | O4 | 90.0° | 90.0° |
C4 | N1 | H12 | 90.0° | 90.0° |
O2 | C2 | O1 | 90.0° | 90.0° |
C2 | O2 | C7 | 90.0° | 90.0° |
O2 | C7 | H13 | 90.0° | 90.0° |
O2 | C7 | H14 | 90.0° | 90.0° |
O2 | C7 | H15 | 90.0° | 90.0° |
O3 | C4 | O4 | 90.0° | 90.0° |
C4 | O3 | C6 | 90.0° | 90.0° |
O3 | C6 | C8 | 90.0° | 90.0° |
O3 | C6 | C9 | 90.0° | 90.0° |
O3 | C6 | C10 | 90.0° | 90.0° |
C8 | C6 | C9 | 90.0° | 90.0° |
C8 | C6 | C10 | 90.0° | 90.0° |
C6 | C8 | H16 | 90.0° | 90.0° |
C6 | C8 | H17 | 90.0° | 90.0° |
C6 | C8 | H18 | 90.0° | 90.0° |
C9 | C6 | C10 | 90.0° | 90.0° |
C6 | C9 | H19 | 90.0° | 90.0° |
C6 | C9 | H20 | 90.0° | 90.0° |
C6 | C9 | H21 | 90.0° | 90.0° |
C6 | C10 | H22 | 90.0° | 90.0° |
C6 | C10 | H23 | 90.0° | 90.0° |
C6 | C10 | H24 | 90.0° | 90.0° |
H13 | C7 | H14 | 90.0° | 90.0° |
H13 | C7 | H15 | 90.0° | 90.0° |
H14 | C7 | H15 | 90.0° | 90.0° |
H16 | C8 | H17 | 90.0° | 90.0° |
H16 | C8 | H18 | 90.0° | 90.0° |
H17 | C8 | H18 | 90.0° | 90.0° |
H19 | C9 | H20 | 90.0° | 90.0° |
H19 | C9 | H21 | 90.0° | 90.0° |
H20 | C9 | H21 | 90.0° | 90.0° |
H22 | C10 | H23 | 90.0° | 90.0° |
H22 | C10 | H24 | 90.0° | 90.0° |
H23 | C10 | H24 | 90.0° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C43 | C42 | C40 | N04 | 178.5° | 90.0° |
C43 | C42 | C40 | N07 | 179.1° | 90.0° |
C43 | C42 | N04 | C32 | 2.0° | 90.0° |
C43 | C42 | N04 | C31 | 177.0° | 90.0° |
C43 | C42 | C40 | H7 | 0.9° | 90.0° |
C42 | C43 | H8 | H9 | 155.0° | 90.0° |
C42 | C43 | H8 | C1 | 49.9° | 90.0° |
C42 | C43 | H9 | C1 | 49.9° | 90.0° |
C42 | C43 | C1 | C2 | 90.0° | 90.0° |
C42 | C43 | C1 | N1 | 90.0° | 90.0° |
C42 | C43 | C1 | H10 | 90.0° | 90.0° |
C42 | C40 | N07 | H7 | 180.0° | 90.0° |
C42 | C40 | N07 | C36 | 179.1° | 90.0° |
C42 | C40 | N07 | C31 | 2.9° | 90.0° |
C40 | C42 | N04 | C32 | 179.1° | 90.0° |
C40 | C42 | N04 | C31 | 1.8° | 90.0° |
C40 | C42 | C43 | H8 | 176.7° | 90.0° |
C40 | C42 | C43 | H9 | 31.5° | 90.0° |
C40 | C42 | C43 | C1 | 72.6° | 90.0° |
N07 | C40 | C42 | N04 | 0.6° | 90.0° |
C40 | N07 | C36 | C31 | 175.8° | 90.0° |
C40 | N07 | C31 | N04 | 3.9° | 90.0° |
C40 | N07 | C31 | RH01 | 176.8° | 90.0° |
C40 | N07 | C36 | H4 | 180.0° | 90.0° |
C40 | N07 | C36 | H5 | 60.0° | 90.0° |
C40 | N07 | C36 | H6 | 60.0° | 90.0° |
C42 | N04 | C31 | N07 | 3.4° | 90.0° |
C42 | N04 | C32 | C31 | 178.9° | 90.0° |
C42 | N04 | C31 | RH01 | 176.6° | 90.0° |
C42 | N04 | C32 | H1 | 180.0° | 90.0° |
C42 | N04 | C32 | H2 | 60.0° | 90.0° |
C42 | N04 | C32 | H3 | 60.0° | 90.0° |
N04 | C42 | C40 | H7 | 179.4° | 90.0° |
N04 | C42 | C43 | H8 | 1.7° | 90.0° |
N04 | C42 | C43 | H9 | 150.1° | 90.0° |
N04 | C42 | C43 | C1 | 105.8° | 90.0° |
C36 | N07 | C31 | N04 | 180.0° | 90.0° |
C36 | N07 | C31 | RH01 | 7.0° | 90.0° |
N07 | C36 | H4 | H5 | 120.0° | 90.0° |
N07 | C36 | H4 | H6 | 120.0° | 90.0° |
N07 | C36 | H5 | H6 | 120.0° | 90.0° |
C36 | N07 | C40 | H7 | 0.9° | 90.0° |
N07 | C31 | N04 | C32 | 177.6° | 90.0° |
N07 | C31 | N04 | RH01 | 173.2° | 90.0° |
C31 | N07 | C36 | H4 | 4.2° | 90.0° |
C31 | N07 | C36 | H5 | 115.8° | 90.0° |
C31 | N07 | C36 | H6 | 124.2° | 90.0° |
C31 | N07 | C40 | H7 | 177.1° | 90.0° |
C32 | N04 | C31 | RH01 | 4.4° | 90.0° |
N04 | C32 | H1 | H2 | 120.0° | 90.0° |
N04 | C32 | H1 | H3 | 120.0° | 90.0° |
N04 | C32 | H2 | H3 | 120.0° | 90.0° |
C31 | N04 | C32 | H1 | 1.1° | 90.0° |
C31 | N04 | C32 | H2 | 121.1° | 90.0° |
C31 | N04 | C32 | H3 | 118.9° | 90.0° |
H1 | C32 | H2 | H3 | 120.0° | 90.0° |
H4 | C36 | H5 | H6 | 120.0° | 90.0° |
H8 | C43 | H9 | C1 | 155.1° | 90.0° |
H8 | C43 | C1 | C2 | 90.0° | 90.0° |
H8 | C43 | C1 | N1 | 90.0° | 90.0° |
H8 | C43 | C1 | H10 | 90.0° | 90.0° |
H9 | C43 | C1 | C2 | 90.0° | 90.0° |
H9 | C43 | C1 | N1 | 90.0° | 90.0° |
H9 | C43 | C1 | H10 | 90.0° | 90.0° |
C43 | C1 | C2 | N1 | 90.0° | 90.0° |
C43 | C1 | C2 | H10 | 90.0° | 90.0° |
C43 | C1 | N1 | H10 | 90.0° | 90.0° |
C43 | C1 | N1 | C4 | 90.0° | 90.0° |
C43 | C1 | C2 | O2 | 90.0° | 90.0° |
C43 | C1 | C2 | O1 | 90.0° | 90.0° |
C43 | C1 | N1 | H12 | 90.0° | 90.0° |
C2 | C1 | N1 | H10 | 90.0° | 90.0° |
C2 | C1 | N1 | C4 | 90.0° | 90.0° |
C1 | C2 | O2 | O1 | 90.0° | 90.0° |
C1 | C2 | O2 | C7 | 90.0° | 90.0° |
C2 | C1 | N1 | H12 | 90.0° | 90.0° |
C1 | N1 | C4 | H12 | 90.0° | 90.0° |
N1 | C1 | C2 | O2 | 90.0° | 90.0° |
N1 | C1 | C2 | O1 | 90.0° | 90.0° |
C1 | N1 | C4 | O3 | 90.0° | 90.0° |
C1 | N1 | C4 | O4 | 90.0° | 90.0° |
N1 | C4 | O3 | O4 | 90.0° | 90.0° |
N1 | C4 | O3 | C6 | 90.0° | 90.0° |
C4 | N1 | C1 | H10 | 90.0° | 90.0° |
O2 | C2 | C1 | H10 | 90.0° | 90.0° |
C2 | O2 | C7 | H13 | 90.0° | 90.0° |
C2 | O2 | C7 | H14 | 90.0° | 90.0° |
C2 | O2 | C7 | H15 | 90.0° | 90.0° |
O1 | C2 | O2 | C7 | 90.0° | 90.0° |
O1 | C2 | C1 | H10 | 90.0° | 90.0° |
O2 | C7 | H13 | H14 | 90.0° | 90.0° |
O2 | C7 | H13 | H15 | 90.0° | 90.0° |
O2 | C7 | H14 | H15 | 90.0° | 90.0° |
C4 | O3 | C6 | C8 | 90.0° | 90.0° |
C4 | O3 | C6 | C9 | 90.0° | 90.0° |
C4 | O3 | C6 | C10 | 90.0° | 90.0° |
O3 | C4 | N1 | H12 | 90.0° | 90.0° |
O4 | C4 | O3 | C6 | 90.0° | 90.0° |
O4 | C4 | N1 | H12 | 90.0° | 90.0° |
O3 | C6 | C8 | C9 | 90.0° | 90.0° |
O3 | C6 | C8 | C10 | 90.0° | 90.0° |
O3 | C6 | C9 | C10 | 90.0° | 90.0° |
O3 | C6 | C8 | H16 | 90.0° | 90.0° |
O3 | C6 | C8 | H17 | 90.0° | 90.0° |
O3 | C6 | C8 | H18 | 90.0° | 90.0° |
O3 | C6 | C9 | H19 | 90.0° | 90.0° |
O3 | C6 | C9 | H20 | 90.0° | 90.0° |
O3 | C6 | C9 | H21 | 90.0° | 90.0° |
O3 | C6 | C10 | H22 | 90.0° | 90.0° |
O3 | C6 | C10 | H23 | 90.0° | 90.0° |
O3 | C6 | C10 | H24 | 90.0° | 90.0° |
C8 | C6 | C9 | C10 | 90.0° | 90.0° |
C6 | C8 | H16 | H17 | 90.0° | 90.0° |
C6 | C8 | H16 | H18 | 90.0° | 90.0° |
C6 | C8 | H17 | H18 | 90.0° | 90.0° |
C8 | C6 | C9 | H19 | 90.0° | 90.0° |
C8 | C6 | C9 | H20 | 90.0° | 90.0° |
C8 | C6 | C9 | H21 | 90.0° | 90.0° |
C8 | C6 | C10 | H22 | 90.0° | 90.0° |
C8 | C6 | C10 | H23 | 90.0° | 90.0° |
C8 | C6 | C10 | H24 | 90.0° | 90.0° |
C9 | C6 | C8 | H16 | 90.0° | 90.0° |
C9 | C6 | C8 | H17 | 90.0° | 90.0° |
C9 | C6 | C8 | H18 | 90.0° | 90.0° |
C6 | C9 | H19 | H20 | 90.0° | 90.0° |
C6 | C9 | H19 | H21 | 90.0° | 90.0° |
C6 | C9 | H20 | H21 | 90.0° | 90.0° |
C9 | C6 | C10 | H22 | 90.0° | 90.0° |
C9 | C6 | C10 | H23 | 90.0° | 90.0° |
C9 | C6 | C10 | H24 | 90.0° | 90.0° |
C10 | C6 | C8 | H16 | 90.0° | 90.0° |
C10 | C6 | C8 | H17 | 90.0° | 90.0° |
C10 | C6 | C8 | H18 | 90.0° | 90.0° |
C10 | C6 | C9 | H19 | 90.0° | 90.0° |
C10 | C6 | C9 | H20 | 90.0° | 90.0° |
C10 | C6 | C9 | H21 | 90.0° | 90.0° |
C6 | C10 | H22 | H23 | 90.0° | 90.0° |
C6 | C10 | H22 | H24 | 90.0° | 90.0° |
C6 | C10 | H23 | H24 | 90.0° | 90.0° |
H10 | C1 | N1 | H12 | 90.0° | 90.0° |
H13 | C7 | H14 | H15 | 90.0° | 90.0° |
H16 | C8 | H17 | H18 | 90.0° | 90.0° |
H19 | C9 | H20 | H21 | 90.0° | 90.0° |
H22 | C10 | H23 | H24 | 90.0° | 90.0° |