RHV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | C14 | sing | 1.51Å | 1.53Å | |
C16 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C17 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
N18 | C12 | sing | 1.32Å | 1.33Å | Aromatic |
C12 | C10 | sing | 1.51Å | 1.53Å | |
C11 | C10 | sing | 1.53Å | 1.53Å | |
C10 | C08 | sing | 1.51Å | 1.53Å | |
O09 | C08 | doub | 1.21Å | 1.19Å | |
C08 | N07 | sing | 1.35Å | 1.45Å | |
O05 | C04 | doub | 1.21Å | 1.19Å | |
N07 | C06 | sing | 1.47Å | 1.45Å | |
C04 | C06 | sing | 1.51Å | 1.53Å | |
C04 | O03 | sing | 1.34Å | 1.40Å | |
C02 | O03 | sing | 1.45Å | 1.40Å | |
C02 | C01 | sing | 1.53Å | 1.53Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C15 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C17 | H6 | sing | 1.08Å | 1.08Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C01 | H8 | sing | 1.09Å | 1.10Å | |
C01 | H9 | sing | 1.09Å | 1.10Å | |
C02 | H10 | sing | 1.09Å | 1.10Å | |
C02 | H11 | sing | 1.09Å | 1.10Å | |
C06 | H12 | sing | 1.09Å | 1.10Å | |
C06 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H17 | sing | 1.08Å | 1.08Å | |
N07 | H18 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | C14 | C16 | 121.3° | 120.8° |
C15 | C14 | C13 | 121.5° | 120.8° |
C14 | C15 | H3 | 109.5° | 109.5° |
C14 | C15 | H4 | 109.5° | 109.4° |
C14 | C15 | H5 | 109.5° | 109.5° |
C14 | C16 | C17 | 120.0° | 119.2° |
C16 | C14 | C13 | 117.1° | 118.4° |
C14 | C16 | H17 | 120.0° | 120.4° |
C16 | C17 | N18 | 121.0° | 120.7° |
C16 | C17 | H6 | 119.5° | 119.6° |
C17 | C16 | H17 | 120.0° | 120.4° |
C14 | C13 | C12 | 120.3° | 119.1° |
C14 | C13 | H2 | 119.9° | 120.5° |
C17 | N18 | C12 | 121.1° | 121.7° |
N18 | C17 | H6 | 119.5° | 119.6° |
C13 | C12 | N18 | 120.5° | 120.8° |
C13 | C12 | C10 | 120.9° | 119.6° |
C12 | C13 | H2 | 119.9° | 120.4° |
N18 | C12 | C10 | 118.6° | 119.6° |
C12 | C10 | C11 | 109.8° | 109.4° |
C12 | C10 | C08 | 112.1° | 109.5° |
C12 | C10 | H1 | 108.5° | 109.5° |
C11 | C10 | C08 | 109.3° | 109.5° |
C11 | C10 | H1 | 108.5° | 109.5° |
C10 | C11 | H14 | 109.5° | 109.4° |
C10 | C11 | H15 | 109.5° | 109.4° |
C10 | C11 | H16 | 109.5° | 109.5° |
C10 | C08 | O09 | 121.7° | 120.1° |
C10 | C08 | N07 | 117.7° | 120.0° |
C08 | C10 | H1 | 108.5° | 109.5° |
O09 | C08 | N07 | 120.6° | 120.0° |
C08 | N07 | C06 | 121.9° | 120.0° |
C08 | N07 | H18 | 119.1° | 120.0° |
O05 | C04 | C06 | 121.8° | 120.0° |
O05 | C04 | O03 | 121.8° | 120.0° |
N07 | C06 | C04 | 113.5° | 109.5° |
N07 | C06 | H12 | 108.5° | 109.4° |
N07 | C06 | H13 | 108.4° | 109.4° |
C06 | N07 | H18 | 119.1° | 119.9° |
C06 | C04 | O03 | 116.4° | 119.9° |
C04 | C06 | H12 | 108.4° | 109.5° |
C04 | C06 | H13 | 108.4° | 109.5° |
C04 | O03 | C02 | 119.1° | 117.0° |
O03 | C02 | C01 | 109.4° | 109.5° |
O03 | C02 | H10 | 109.5° | 109.5° |
O03 | C02 | H11 | 109.5° | 109.5° |
C02 | C01 | H7 | 109.5° | 109.5° |
C02 | C01 | H8 | 109.4° | 109.5° |
C02 | C01 | H9 | 109.5° | 109.5° |
C01 | C02 | H10 | 109.5° | 109.5° |
C01 | C02 | H11 | 109.5° | 109.4° |
H3 | C15 | H4 | 109.5° | 109.5° |
H3 | C15 | H5 | 109.4° | 109.5° |
H4 | C15 | H5 | 109.5° | 109.5° |
H7 | C01 | H8 | 109.5° | 109.5° |
H7 | C01 | H9 | 109.5° | 109.5° |
H8 | C01 | H9 | 109.5° | 109.5° |
H10 | C02 | H11 | 109.5° | 109.5° |
H12 | C06 | H13 | 109.5° | 109.4° |
H14 | C11 | H15 | 109.5° | 109.5° |
H14 | C11 | H16 | 109.4° | 109.5° |
H15 | C11 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | C14 | C16 | C13 | 180.0° | 179.9° |
C15 | C14 | C16 | C17 | 179.8° | 179.9° |
C15 | C14 | C13 | C12 | 179.8° | 180.0° |
C15 | C14 | C13 | H2 | 0.2° | 0.4° |
C14 | C15 | H3 | H4 | 120.0° | 120.0° |
C14 | C15 | H3 | H5 | 120.0° | 120.0° |
C14 | C15 | H4 | H5 | 120.0° | 120.0° |
C15 | C14 | C16 | H17 | 0.2° | 0.0° |
C14 | C16 | C17 | H17 | 180.0° | 180.0° |
C14 | C16 | C17 | N18 | 0.3° | 0.2° |
C16 | C14 | C13 | C12 | 0.2° | 0.1° |
C16 | C14 | C13 | H2 | 179.8° | 179.7° |
C16 | C14 | C15 | H3 | 90.0° | 90.0° |
C16 | C14 | C15 | H4 | 150.0° | 30.0° |
C16 | C14 | C15 | H5 | 30.0° | 150.0° |
C14 | C16 | C17 | H6 | 179.7° | 179.8° |
C17 | C16 | C14 | C13 | 0.2° | 0.0° |
C16 | C17 | N18 | H6 | 180.0° | 179.6° |
C16 | C17 | N18 | C12 | 0.0° | 0.5° |
C14 | C13 | C12 | H2 | 180.0° | 179.6° |
C14 | C13 | C12 | N18 | 0.5° | 0.3° |
C14 | C13 | C12 | C10 | 179.7° | 179.7° |
C13 | C14 | C15 | H3 | 90.0° | 90.0° |
C13 | C14 | C15 | H4 | 30.0° | 150.0° |
C13 | C14 | C15 | H5 | 150.0° | 30.1° |
C13 | C14 | C16 | H17 | 179.8° | 180.0° |
C17 | N18 | C12 | C13 | 0.4° | 0.5° |
C17 | N18 | C12 | C10 | 179.6° | 179.5° |
N18 | C17 | C16 | H17 | 179.7° | 179.8° |
C13 | C12 | N18 | C10 | 179.2° | 179.9° |
C13 | C12 | C10 | C11 | 52.7° | 35.0° |
C13 | C12 | C10 | C08 | 69.0° | 85.0° |
C13 | C12 | C10 | H1 | 171.1° | 154.9° |
N18 | C12 | C10 | C11 | 126.6° | 145.0° |
N18 | C12 | C10 | C08 | 111.8° | 95.0° |
N18 | C12 | C10 | H1 | 8.1° | 25.0° |
N18 | C12 | C13 | H2 | 179.5° | 180.0° |
C12 | N18 | C17 | H6 | 179.9° | 180.0° |
C12 | C10 | C11 | C08 | 123.4° | 120.0° |
C12 | C10 | C11 | H1 | 118.5° | 120.0° |
C12 | C10 | C08 | H1 | 119.9° | 120.0° |
C12 | C10 | C08 | O09 | 11.2° | 0.0° |
C12 | C10 | C08 | N07 | 169.4° | 180.0° |
C10 | C12 | C13 | H2 | 0.3° | 0.1° |
C12 | C10 | C11 | H14 | 180.0° | 180.0° |
C12 | C10 | C11 | H15 | 60.0° | 60.0° |
C12 | C10 | C11 | H16 | 60.0° | 60.0° |
C11 | C10 | C08 | H1 | 118.1° | 120.0° |
C11 | C10 | C08 | O09 | 110.8° | 120.0° |
C11 | C10 | C08 | N07 | 68.6° | 60.1° |
C10 | C11 | H14 | H15 | 120.0° | 119.9° |
C10 | C11 | H14 | H16 | 120.0° | 120.0° |
C10 | C11 | H15 | H16 | 120.0° | 120.0° |
C10 | C08 | O09 | N07 | 179.4° | 179.9° |
C10 | C08 | N07 | C06 | 179.7° | 180.0° |
C08 | C10 | C11 | H14 | 56.6° | 60.1° |
C08 | C10 | C11 | H15 | 176.6° | 180.0° |
C08 | C10 | C11 | H16 | 63.4° | 60.0° |
C10 | C08 | N07 | H18 | 0.3° | 0.1° |
O09 | C08 | N07 | C06 | 0.9° | 0.1° |
O09 | C08 | C10 | H1 | 131.0° | 120.0° |
O09 | C08 | N07 | H18 | 179.2° | 180.0° |
C08 | N07 | C06 | H18 | 180.0° | 179.9° |
C08 | N07 | C06 | C04 | 67.3° | 180.0° |
N07 | C08 | C10 | H1 | 49.5° | 60.0° |
C08 | N07 | C06 | H12 | 53.3° | 60.0° |
C08 | N07 | C06 | H13 | 172.1° | 59.9° |
O05 | C04 | C06 | N07 | 11.7° | 0.0° |
O05 | C04 | C06 | O03 | 179.7° | 180.0° |
O05 | C04 | O03 | C02 | 9.2° | 0.0° |
O05 | C04 | C06 | H12 | 132.3° | 120.0° |
O05 | C04 | C06 | H13 | 108.9° | 120.0° |
N07 | C06 | C04 | H12 | 120.6° | 120.0° |
N07 | C06 | C04 | H13 | 120.6° | 120.0° |
N07 | C06 | C04 | O03 | 168.0° | 180.0° |
N07 | C06 | H12 | H13 | 118.1° | 119.9° |
C06 | C04 | O03 | C02 | 171.1° | 180.0° |
C04 | C06 | H12 | H13 | 118.1° | 120.1° |
C04 | C06 | N07 | H18 | 112.7° | 0.0° |
C04 | O03 | C02 | C01 | 78.9° | 180.0° |
C04 | O03 | C02 | H10 | 41.1° | 60.0° |
C04 | O03 | C02 | H11 | 161.1° | 60.1° |
O03 | C04 | C06 | H12 | 47.3° | 60.0° |
O03 | C04 | C06 | H13 | 71.4° | 60.0° |
O03 | C02 | C01 | H10 | 120.0° | 120.0° |
O03 | C02 | C01 | H11 | 120.0° | 120.0° |
O03 | C02 | C01 | H7 | 180.0° | 60.0° |
O03 | C02 | C01 | H8 | 60.0° | 180.0° |
O03 | C02 | C01 | H9 | 60.0° | 60.0° |
O03 | C02 | H10 | H11 | 120.1° | 120.0° |
C02 | C01 | H7 | H8 | 120.0° | 120.0° |
C02 | C01 | H7 | H9 | 120.0° | 120.0° |
C02 | C01 | H8 | H9 | 120.0° | 120.0° |
C01 | C02 | H10 | H11 | 120.0° | 120.0° |
H1 | C10 | C11 | H14 | 61.5° | 60.0° |
H1 | C10 | C11 | H15 | 58.5° | 60.0° |
H1 | C10 | C11 | H16 | 178.5° | 179.9° |
H3 | C15 | H4 | H5 | 120.0° | 120.0° |
H6 | C17 | C16 | H17 | 0.2° | 0.2° |
H7 | C01 | H8 | H9 | 120.0° | 120.0° |
H7 | C01 | C02 | H10 | 60.0° | 179.9° |
H7 | C01 | C02 | H11 | 60.0° | 60.0° |
H8 | C01 | C02 | H10 | 180.0° | 60.1° |
H8 | C01 | C02 | H11 | 60.0° | 60.0° |
H9 | C01 | C02 | H10 | 60.0° | 60.0° |
H9 | C01 | C02 | H11 | 180.0° | 180.0° |
H12 | C06 | N07 | H18 | 126.7° | 120.1° |
H13 | C06 | N07 | H18 | 7.9° | 120.0° |
H14 | C11 | H15 | H16 | 120.0° | 120.1° |