RHP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C12 | trip | 1.17Å | 1.30Å | |
C13 | H13 | sing | 1.05Å | 1.09Å | |
C12 | C11 | sing | 1.47Å | 1.54Å | |
C11 | N10 | sing | 1.47Å | 1.29Å | |
C11 | H111 | sing | 1.09Å | 1.11Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
N10 | C9 | sing | 1.47Å | 1.46Å | |
N10 | H10 | sing | 1.01Å | 1.02Å | |
C9 | C1 | sing | 1.54Å | 1.53Å | |
C9 | C8 | sing | 1.51Å | 1.50Å | |
C9 | H9 | sing | 1.09Å | 1.12Å | |
C1 | C2 | sing | 1.54Å | 1.54Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.51Å | 1.49Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C3 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | O6 | sing | 1.36Å | 1.38Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C13 | H13 | 180.0° | 180.0° |
C13 | C12 | C11 | 125.8° | 180.0° |
C12 | C11 | N10 | 120.5° | 109.5° |
C12 | C11 | H111 | 108.3° | 109.5° |
C12 | C11 | H112 | 108.2° | 109.5° |
N10 | C11 | H111 | 108.3° | 109.5° |
N10 | C11 | H112 | 108.3° | 109.4° |
C11 | N10 | C9 | 119.0° | 106.8° |
C11 | N10 | H10 | 108.7° | 106.7° |
H111 | C11 | H112 | 101.6° | 109.4° |
C9 | N10 | H10 | 108.8° | 106.7° |
N10 | C9 | C1 | 112.5° | 110.3° |
N10 | C9 | C8 | 111.6° | 110.4° |
N10 | C9 | H9 | 103.8° | 110.2° |
C1 | C9 | C8 | 101.7° | 105.2° |
C1 | C9 | H9 | 113.3° | 110.3° |
C9 | C1 | C2 | 107.9° | 102.4° |
C9 | C1 | H11 | 112.8° | 110.8° |
C9 | C1 | H12 | 112.7° | 110.8° |
C8 | C9 | H9 | 114.2° | 110.3° |
C9 | C8 | C3 | 112.6° | 109.8° |
C9 | C8 | C7 | 126.5° | 130.3° |
C2 | C1 | H11 | 112.8° | 110.8° |
C2 | C1 | H12 | 112.8° | 110.8° |
C1 | C2 | C3 | 102.4° | 105.2° |
C1 | C2 | H21 | 114.9° | 110.3° |
C1 | C2 | H22 | 114.9° | 110.3° |
H11 | C1 | H12 | 97.7° | 110.9° |
C3 | C2 | H21 | 114.9° | 110.3° |
C3 | C2 | H22 | 114.8° | 110.3° |
C2 | C3 | C8 | 111.5° | 109.8° |
C2 | C3 | C4 | 126.6° | 130.3° |
H21 | C2 | H22 | 95.6° | 110.4° |
C8 | C3 | C4 | 121.9° | 119.9° |
C3 | C8 | C7 | 121.0° | 119.9° |
C3 | C4 | C5 | 117.9° | 120.3° |
C3 | C4 | H4 | 120.8° | 119.8° |
C8 | C7 | C6 | 118.2° | 120.2° |
C8 | C7 | H7 | 120.5° | 119.9° |
C6 | C7 | H7 | 121.2° | 119.9° |
C7 | C6 | C5 | 120.9° | 119.8° |
C7 | C6 | O6 | 118.9° | 120.1° |
C5 | C4 | H4 | 121.4° | 119.9° |
C4 | C5 | C6 | 120.2° | 119.9° |
C4 | C5 | H5 | 120.0° | 120.0° |
C6 | C5 | H5 | 119.8° | 120.1° |
C5 | C6 | O6 | 120.2° | 120.1° |
C6 | O6 | HO6 | 119.0° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C12 | C11 | N10 | 176.1° | 20.2° |
C13 | C12 | C11 | H111 | 50.8° | 99.9° |
C13 | C12 | C11 | H112 | 58.6° | 140.2° |
H13 | C13 | C12 | C11 | 23.6° | 116.4° |
C12 | C11 | N10 | H111 | 125.3° | 120.1° |
C12 | C11 | N10 | H112 | 125.3° | 120.0° |
C12 | C11 | H111 | H112 | 113.9° | 119.9° |
C12 | C11 | N10 | C9 | 179.7° | 180.0° |
C12 | C11 | N10 | H10 | 55.1° | 66.2° |
N10 | C11 | H111 | H112 | 113.9° | 120.0° |
C11 | N10 | C9 | H10 | 125.2° | 113.9° |
C11 | N10 | C9 | C1 | 126.9° | 150.0° |
C11 | N10 | C9 | C8 | 119.5° | 94.2° |
C11 | N10 | C9 | H9 | 4.0° | 27.9° |
H111 | C11 | N10 | C9 | 55.0° | 59.9° |
H111 | C11 | N10 | H10 | 70.2° | 173.8° |
H112 | C11 | N10 | C9 | 54.4° | 60.0° |
H112 | C11 | N10 | H10 | 179.6° | 53.8° |
N10 | C9 | C1 | C8 | 119.5° | 119.0° |
N10 | C9 | C1 | H9 | 117.4° | 122.0° |
N10 | C9 | C8 | H9 | 117.3° | 122.1° |
N10 | C9 | C1 | C2 | 138.5° | 92.7° |
N10 | C9 | C1 | H11 | 13.2° | 149.1° |
N10 | C9 | C1 | H12 | 96.2° | 25.5° |
N10 | C9 | C8 | C3 | 133.0° | 101.8° |
N10 | C9 | C8 | C7 | 48.1° | 77.9° |
H10 | N10 | C9 | C1 | 1.7° | 36.2° |
H10 | N10 | C9 | C8 | 115.3° | 152.0° |
H10 | N10 | C9 | H9 | 121.2° | 85.9° |
C1 | C9 | C8 | H9 | 122.5° | 119.0° |
C9 | C1 | C2 | H11 | 125.3° | 118.2° |
C9 | C1 | C2 | H12 | 125.2° | 118.2° |
C9 | C1 | H11 | H12 | 118.7° | 123.5° |
C9 | C1 | C2 | C3 | 18.5° | 26.3° |
C9 | C1 | C2 | H21 | 143.8° | 145.3° |
C9 | C1 | C2 | H22 | 106.7° | 92.6° |
C1 | C9 | C8 | C3 | 12.8° | 17.2° |
C1 | C9 | C8 | C7 | 168.3° | 163.1° |
C8 | C9 | C1 | C2 | 19.0° | 26.3° |
C8 | C9 | C1 | H11 | 106.3° | 91.9° |
C8 | C9 | C1 | H12 | 144.3° | 144.6° |
C9 | C8 | C3 | C2 | 1.3° | 0.0° |
C9 | C8 | C3 | C7 | 179.0° | 179.7° |
C9 | C8 | C3 | C4 | 179.5° | 180.0° |
C9 | C8 | C7 | C6 | 179.3° | 179.7° |
C9 | C8 | C7 | H7 | 0.7° | 0.1° |
H9 | C9 | C1 | C2 | 104.1° | 145.3° |
H9 | C9 | C1 | H11 | 130.6° | 27.1° |
H9 | C9 | C1 | H12 | 21.2° | 96.5° |
H9 | C9 | C8 | C3 | 109.7° | 136.2° |
H9 | C9 | C8 | C7 | 69.2° | 44.1° |
C2 | C1 | H11 | H12 | 118.8° | 123.6° |
C1 | C2 | C3 | H21 | 125.3° | 118.9° |
C1 | C2 | C3 | H22 | 125.2° | 118.9° |
C1 | C2 | H21 | H22 | 120.8° | 122.1° |
C1 | C2 | C3 | C8 | 10.8° | 17.2° |
C1 | C2 | C3 | C4 | 168.4° | 162.8° |
H11 | C1 | C2 | C3 | 106.8° | 91.8° |
H11 | C1 | C2 | H21 | 18.5° | 27.1° |
H11 | C1 | C2 | H22 | 128.0° | 149.3° |
H12 | C1 | C2 | C3 | 143.7° | 144.6° |
H12 | C1 | C2 | H21 | 91.0° | 96.5° |
H12 | C1 | C2 | H22 | 18.5° | 25.7° |
C3 | C2 | H21 | H22 | 120.8° | 122.2° |
C2 | C3 | C8 | C4 | 179.2° | 180.0° |
C2 | C3 | C8 | C7 | 179.7° | 179.7° |
C2 | C3 | C4 | C5 | 179.4° | 179.9° |
C2 | C3 | C4 | H4 | 0.6° | 0.0° |
H21 | C2 | C3 | C8 | 136.0° | 136.1° |
H21 | C2 | C3 | C4 | 43.1° | 43.9° |
H22 | C2 | C3 | C8 | 114.4° | 101.7° |
H22 | C2 | C3 | C4 | 66.4° | 78.3° |
C3 | C8 | C7 | C6 | 0.5° | 0.6° |
C3 | C8 | C7 | H7 | 179.5° | 179.6° |
C8 | C3 | C4 | C5 | 0.3° | 0.0° |
C8 | C3 | C4 | H4 | 179.7° | 179.9° |
C4 | C3 | C8 | C7 | 0.5° | 0.3° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | C5 | H5 | 179.9° | 179.9° |
C8 | C7 | C6 | H7 | 180.0° | 179.8° |
C8 | C7 | C6 | C5 | 0.3° | 0.6° |
C8 | C7 | C6 | O6 | 179.9° | 179.7° |
C7 | C6 | C5 | C4 | 0.1° | 0.2° |
C7 | C6 | C5 | O6 | 179.8° | 179.7° |
C7 | C6 | C5 | H5 | 179.9° | 179.8° |
C7 | C6 | O6 | HO6 | 180.0° | 90.3° |
H7 | C7 | C6 | C5 | 179.7° | 179.6° |
H7 | C7 | C6 | O6 | 0.1° | 0.1° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | O6 | 179.9° | 180.0° |
H4 | C4 | C5 | C6 | 179.9° | 180.0° |
H4 | C4 | C5 | H5 | 0.1° | 0.0° |
C5 | C6 | O6 | HO6 | 0.2° | 90.0° |
H5 | C5 | C6 | O6 | 0.1° | 0.1° |