HH7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | N16 | sing | 1.34Å | 1.45Å | Aromatic |
C15 | C14 | doub | 1.34Å | 1.51Å | Aromatic |
N16 | C12 | doub | 1.31Å | 1.46Å | Aromatic |
C14 | N13 | sing | 1.38Å | 1.44Å | Aromatic |
C12 | N13 | sing | 1.36Å | 1.47Å | Aromatic |
C12 | N11 | sing | 1.38Å | 1.45Å | |
N11 | C10 | sing | 1.47Å | 1.45Å | |
C10 | C09 | sing | 1.53Å | 1.53Å | |
C09 | C08 | sing | 1.53Å | 1.53Å | |
C08 | O07 | sing | 1.43Å | 1.40Å | |
O07 | C06 | sing | 1.36Å | 1.41Å | |
CL2 | C04 | sing | 1.74Å | 1.78Å | |
C06 | C04 | doub | 1.39Å | 1.53Å | Aromatic |
C06 | C17 | sing | 1.39Å | 1.54Å | Aromatic |
C04 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.53Å | Aromatic |
C03 | C02 | doub | 1.38Å | 1.52Å | Aromatic |
C18 | C02 | sing | 1.38Å | 1.53Å | Aromatic |
C02 | CL1 | sing | 1.74Å | 1.78Å | |
N11 | H1 | sing | 0.97Å | 1.00Å | |
C03 | H2 | sing | 1.08Å | 1.08Å | |
C08 | H3 | sing | 1.09Å | 1.10Å | |
C08 | H4 | sing | 1.09Å | 1.10Å | |
C09 | H5 | sing | 1.09Å | 1.10Å | |
C09 | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
N13 | H9 | sing | 0.97Å | 1.00Å | |
C14 | H10 | sing | 1.08Å | 1.08Å | |
C15 | H11 | sing | 1.08Å | 1.08Å | |
C17 | H13 | sing | 1.08Å | 1.08Å | |
C18 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N16 | C15 | C14 | 107.3° | 108.3° |
C15 | N16 | C12 | 108.1° | 109.3° |
N16 | C15 | H11 | 126.4° | 125.9° |
C15 | C14 | N13 | 107.8° | 106.9° |
C15 | C14 | H10 | 126.1° | 126.6° |
C14 | C15 | H11 | 126.4° | 125.8° |
N16 | C12 | N13 | 108.7° | 108.4° |
N16 | C12 | N11 | 125.7° | 125.8° |
C14 | N13 | C12 | 108.1° | 107.0° |
C14 | N13 | H9 | 126.0° | 126.5° |
N13 | C14 | H10 | 126.1° | 126.5° |
N13 | C12 | N11 | 125.5° | 125.8° |
C12 | N13 | H9 | 125.9° | 126.5° |
C12 | N11 | C10 | 119.8° | 120.0° |
C12 | N11 | H1 | 106.8° | 120.0° |
N11 | C10 | C09 | 111.1° | 109.5° |
C10 | N11 | H1 | 106.8° | 120.0° |
N11 | C10 | H7 | 109.1° | 109.4° |
N11 | C10 | H8 | 109.1° | 109.5° |
C10 | C09 | C08 | 110.0° | 109.5° |
C10 | C09 | H5 | 109.4° | 109.4° |
C10 | C09 | H6 | 109.3° | 109.5° |
C09 | C10 | H7 | 109.1° | 109.5° |
C09 | C10 | H8 | 109.1° | 109.5° |
C09 | C08 | O07 | 108.9° | 109.5° |
C09 | C08 | H3 | 109.6° | 109.5° |
C09 | C08 | H4 | 109.6° | 109.5° |
C08 | C09 | H5 | 109.3° | 109.5° |
C08 | C09 | H6 | 109.4° | 109.5° |
C08 | O07 | C06 | 115.7° | 117.0° |
O07 | C08 | H3 | 109.6° | 109.5° |
O07 | C08 | H4 | 109.6° | 109.5° |
O07 | C06 | C04 | 118.8° | 120.1° |
O07 | C06 | C17 | 121.7° | 120.0° |
CL2 | C04 | C06 | 119.5° | 120.1° |
CL2 | C04 | C03 | 119.8° | 120.0° |
C04 | C06 | C17 | 119.5° | 119.9° |
C06 | C04 | C03 | 120.7° | 119.9° |
C06 | C17 | C18 | 119.5° | 120.0° |
C06 | C17 | H13 | 120.2° | 120.1° |
C04 | C03 | C02 | 120.2° | 120.0° |
C04 | C03 | H2 | 119.9° | 120.0° |
C17 | C18 | C02 | 120.1° | 120.0° |
C18 | C17 | H13 | 120.2° | 120.0° |
C17 | C18 | H14 | 119.9° | 120.0° |
C03 | C02 | C18 | 120.0° | 120.1° |
C03 | C02 | CL1 | 119.5° | 119.9° |
C02 | C03 | H2 | 119.9° | 120.0° |
C18 | C02 | CL1 | 120.5° | 120.0° |
C02 | C18 | H14 | 119.9° | 120.0° |
H3 | C08 | H4 | 109.5° | 109.4° |
H5 | C09 | H6 | 109.4° | 109.5° |
H7 | C10 | H8 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N16 | C15 | C14 | H11 | 180.0° | 179.5° |
N16 | C15 | C14 | N13 | 0.5° | 0.3° |
C15 | N16 | C12 | N13 | 0.3° | 0.4° |
C15 | N16 | C12 | N11 | 179.8° | 179.8° |
N16 | C15 | C14 | H10 | 179.5° | 179.8° |
C14 | C15 | N16 | C12 | 0.5° | 0.4° |
C15 | C14 | N13 | H10 | 180.0° | 180.0° |
C15 | C14 | N13 | C12 | 0.3° | 0.0° |
C15 | C14 | N13 | H9 | 179.7° | 179.9° |
N16 | C12 | N13 | C14 | 0.0° | 0.2° |
N16 | C12 | N13 | N11 | 179.9° | 179.8° |
N16 | C12 | N11 | C10 | 179.4° | 179.7° |
N16 | C12 | N11 | H1 | 58.0° | 0.1° |
N16 | C12 | N13 | H9 | 180.0° | 179.8° |
C12 | N16 | C15 | H11 | 179.5° | 180.0° |
C14 | N13 | C12 | H9 | 180.0° | 180.0° |
C14 | N13 | C12 | N11 | 179.9° | 180.0° |
N13 | C14 | C15 | H11 | 179.5° | 179.8° |
N13 | C12 | N11 | C10 | 0.5° | 0.0° |
N13 | C12 | N11 | H1 | 121.9° | 179.8° |
C12 | N13 | C14 | H10 | 179.7° | 180.0° |
C12 | N11 | C10 | H1 | 121.5° | 179.8° |
C12 | N11 | C10 | C09 | 94.4° | 179.8° |
C12 | N11 | C10 | H7 | 25.8° | 59.7° |
C12 | N11 | C10 | H8 | 145.3° | 60.3° |
N11 | C12 | N13 | H9 | 0.1° | 0.0° |
N11 | C10 | C09 | H7 | 120.3° | 120.0° |
N11 | C10 | C09 | H8 | 120.3° | 120.0° |
N11 | C10 | C09 | C08 | 59.2° | 180.0° |
N11 | C10 | C09 | H5 | 60.9° | 60.0° |
N11 | C10 | C09 | H6 | 179.3° | 60.0° |
N11 | C10 | H7 | H8 | 119.2° | 120.0° |
C10 | C09 | C08 | H5 | 120.1° | 120.0° |
C10 | C09 | C08 | H6 | 120.1° | 120.0° |
C10 | C09 | C08 | O07 | 75.8° | 180.0° |
C09 | C10 | N11 | H1 | 144.1° | 0.0° |
C10 | C09 | C08 | H3 | 44.1° | 60.0° |
C10 | C09 | C08 | H4 | 164.3° | 59.9° |
C10 | C09 | H5 | H6 | 119.7° | 119.9° |
C09 | C10 | H7 | H8 | 119.3° | 120.0° |
C09 | C08 | O07 | H3 | 119.9° | 120.0° |
C09 | C08 | O07 | H4 | 119.9° | 120.0° |
C09 | C08 | O07 | C06 | 93.0° | 180.0° |
C09 | C08 | H3 | H4 | 120.3° | 119.9° |
C08 | C09 | H5 | H6 | 119.8° | 120.0° |
C08 | C09 | C10 | H7 | 179.5° | 60.0° |
C08 | C09 | C10 | H8 | 61.1° | 60.0° |
C08 | O07 | C06 | C04 | 175.7° | 180.0° |
C08 | O07 | C06 | C17 | 4.4° | 0.0° |
O07 | C08 | H3 | H4 | 120.3° | 120.0° |
O07 | C08 | C09 | H5 | 164.1° | 60.0° |
O07 | C08 | C09 | H6 | 44.3° | 60.0° |
O07 | C06 | C04 | CL2 | 0.1° | 0.0° |
O07 | C06 | C04 | C17 | 179.9° | 180.0° |
O07 | C06 | C04 | C03 | 180.0° | 180.0° |
O07 | C06 | C17 | C18 | 180.0° | 179.7° |
C06 | O07 | C08 | H3 | 147.1° | 60.0° |
C06 | O07 | C08 | H4 | 27.0° | 60.0° |
O07 | C06 | C17 | H13 | 0.0° | 0.0° |
CL2 | C04 | C06 | C03 | 179.9° | 180.0° |
CL2 | C04 | C06 | C17 | 180.0° | 180.0° |
CL2 | C04 | C03 | C02 | 180.0° | 180.0° |
CL2 | C04 | C03 | H2 | 0.0° | 0.0° |
C04 | C06 | C17 | C18 | 0.1° | 0.2° |
C06 | C04 | C03 | C02 | 0.1° | 0.0° |
C06 | C04 | C03 | H2 | 179.9° | 180.0° |
C04 | C06 | C17 | H13 | 179.9° | 180.0° |
C17 | C06 | C04 | C03 | 0.1° | 0.0° |
C06 | C17 | C18 | H13 | 180.0° | 179.7° |
C06 | C17 | C18 | C02 | 0.0° | 0.5° |
C06 | C17 | C18 | H14 | 180.0° | 180.0° |
C04 | C03 | C02 | H2 | 180.0° | 180.0° |
C04 | C03 | C02 | C18 | 0.0° | 0.2° |
C04 | C03 | C02 | CL1 | 179.9° | 180.0° |
C17 | C18 | C02 | C03 | 0.0° | 0.5° |
C17 | C18 | C02 | H14 | 180.0° | 179.5° |
C17 | C18 | C02 | CL1 | 179.9° | 179.8° |
C03 | C02 | C18 | CL1 | 179.9° | 179.7° |
C03 | C02 | C18 | H14 | 180.0° | 180.0° |
C18 | C02 | C03 | H2 | 180.0° | 179.7° |
C02 | C18 | C17 | H13 | 180.0° | 179.7° |
CL1 | C02 | C03 | H2 | 0.0° | 0.0° |
CL1 | C02 | C18 | H14 | 0.1° | 0.3° |
H1 | N11 | C10 | H7 | 95.6° | 120.0° |
H1 | N11 | C10 | H8 | 23.8° | 120.0° |
H3 | C08 | C09 | H5 | 76.0° | 180.0° |
H3 | C08 | C09 | H6 | 164.2° | 60.0° |
H4 | C08 | C09 | H5 | 44.2° | 60.0° |
H4 | C08 | C09 | H6 | 75.6° | 179.9° |
H5 | C09 | C10 | H7 | 59.4° | 60.0° |
H5 | C09 | C10 | H8 | 178.9° | 179.9° |
H6 | C09 | C10 | H7 | 60.4° | 180.0° |
H6 | C09 | C10 | H8 | 59.1° | 60.0° |
H9 | N13 | C14 | H10 | 0.3° | 0.0° |
H10 | C14 | C15 | H11 | 0.5° | 0.2° |
H13 | C17 | C18 | H14 | 0.0° | 0.2° |