06N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O19 | C4 | sing | 1.36Å | 1.36Å | |
C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
C1 | C7 | sing | 1.48Å | 1.47Å | |
C8 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
C8 | N9 | sing | 1.34Å | 1.38Å | Aromatic |
C7 | N11 | sing | 1.39Å | 1.37Å | Aromatic |
N9 | C10 | doub | 1.31Å | 1.30Å | Aromatic |
N11 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
N11 | N14 | sing | 1.39Å | 1.36Å | Aromatic |
C10 | S12 | sing | 1.77Å | 1.74Å | Aromatic |
N14 | C13 | doub | 1.29Å | 1.29Å | Aromatic |
C13 | S12 | sing | 1.77Å | 1.75Å | Aromatic |
C13 | N15 | sing | 1.39Å | 1.34Å | |
C16 | N15 | sing | 1.47Å | 1.45Å | |
C16 | C17 | sing | 1.53Å | 1.51Å | |
C17 | C18 | sing | 1.53Å | 1.51Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C3 | H4 | sing | 1.08Å | 1.08Å | |
C2 | H5 | sing | 1.08Å | 1.08Å | |
N15 | H6 | sing | 0.97Å | 1.00Å | |
C16 | H7 | sing | 1.09Å | 1.10Å | |
C16 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
C17 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
O19 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O19 | C4 | C5 | 122.9° | 119.9° |
O19 | C4 | C3 | 117.3° | 119.9° |
C4 | O19 | H14 | 109.5° | 114.0° |
C4 | C5 | C6 | 120.2° | 120.1° |
C5 | C4 | C3 | 119.8° | 120.2° |
C4 | C5 | H2 | 119.9° | 120.0° |
C5 | C6 | C1 | 120.5° | 119.9° |
C6 | C5 | H2 | 119.9° | 120.0° |
C5 | C6 | H3 | 119.8° | 120.0° |
C4 | C3 | C2 | 119.9° | 120.1° |
C4 | C3 | H4 | 120.1° | 120.0° |
C6 | C1 | C2 | 118.6° | 119.8° |
C6 | C1 | C7 | 121.9° | 120.1° |
C1 | C6 | H3 | 119.8° | 120.1° |
C3 | C2 | C1 | 121.1° | 119.9° |
C2 | C3 | H4 | 120.0° | 119.9° |
C3 | C2 | H5 | 119.4° | 120.1° |
C2 | C1 | C7 | 119.5° | 120.1° |
C1 | C2 | H5 | 119.5° | 120.0° |
C1 | C7 | C8 | 130.6° | 126.5° |
C1 | C7 | N11 | 126.0° | 126.4° |
C7 | C8 | N9 | 112.2° | 108.2° |
C8 | C7 | N11 | 103.5° | 107.1° |
C7 | C8 | H1 | 123.9° | 125.9° |
C8 | N9 | C10 | 104.6° | 109.2° |
N9 | C8 | H1 | 123.9° | 125.9° |
C7 | N11 | C10 | 108.5° | 105.7° |
C7 | N11 | N14 | 133.5° | 139.2° |
N9 | C10 | N11 | 111.2° | 109.8° |
N9 | C10 | S12 | 137.4° | 144.6° |
C10 | N11 | N14 | 118.0° | 115.1° |
N11 | C10 | S12 | 111.3° | 105.6° |
N11 | N14 | C13 | 104.9° | 119.1° |
C10 | S12 | C13 | 83.8° | 94.3° |
N14 | C13 | S12 | 122.0° | 105.9° |
N14 | C13 | N15 | 117.7° | 127.1° |
S12 | C13 | N15 | 120.2° | 127.0° |
C13 | N15 | C16 | 121.8° | 120.0° |
C13 | N15 | H6 | 106.3° | 120.0° |
N15 | C16 | C17 | 111.1° | 109.4° |
C16 | N15 | H6 | 106.3° | 120.0° |
N15 | C16 | H7 | 109.1° | 109.5° |
N15 | C16 | H8 | 109.1° | 109.5° |
C16 | C17 | C18 | 111.8° | 109.4° |
C17 | C16 | H7 | 109.1° | 109.5° |
C17 | C16 | H8 | 109.1° | 109.5° |
C16 | C17 | H9 | 108.9° | 109.5° |
C16 | C17 | H10 | 108.9° | 109.5° |
C18 | C17 | H9 | 108.9° | 109.5° |
C18 | C17 | H10 | 108.9° | 109.5° |
C17 | C18 | H11 | 109.5° | 109.5° |
C17 | C18 | H12 | 109.4° | 109.5° |
C17 | C18 | H13 | 109.5° | 109.5° |
H7 | C16 | H8 | 109.4° | 109.4° |
H9 | C17 | H10 | 109.5° | 109.5° |
H11 | C18 | H12 | 109.5° | 109.5° |
H11 | C18 | H13 | 109.5° | 109.5° |
H12 | C18 | H13 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O19 | C4 | C5 | C3 | 179.9° | 179.8° |
O19 | C4 | C5 | C6 | 179.4° | 180.0° |
O19 | C4 | C3 | C2 | 178.9° | 179.7° |
O19 | C4 | C5 | H2 | 0.6° | 0.2° |
O19 | C4 | C3 | H4 | 1.1° | 0.2° |
C4 | C5 | C6 | H2 | 180.0° | 179.9° |
C4 | C5 | C6 | C1 | 0.1° | 0.1° |
C5 | C4 | C3 | C2 | 1.0° | 0.5° |
C4 | C5 | C6 | H3 | 179.9° | 179.9° |
C5 | C4 | C3 | H4 | 179.0° | 179.9° |
C5 | C4 | O19 | H14 | 180.0° | 89.9° |
C6 | C5 | C4 | C3 | 0.5° | 0.2° |
C5 | C6 | C1 | H3 | 180.0° | 180.0° |
C5 | C6 | C1 | C2 | 0.1° | 0.1° |
C5 | C6 | C1 | C7 | 179.8° | 179.7° |
C4 | C3 | C2 | H4 | 180.0° | 179.5° |
C4 | C3 | C2 | C1 | 1.1° | 0.5° |
C3 | C4 | C5 | H2 | 179.5° | 180.0° |
C4 | C3 | C2 | H5 | 178.9° | 179.5° |
C3 | C4 | O19 | H14 | 0.1° | 90.3° |
C6 | C1 | C2 | C3 | 0.6° | 0.2° |
C6 | C1 | C2 | C7 | 179.7° | 179.7° |
C6 | C1 | C7 | C8 | 17.4° | 175.0° |
C6 | C1 | C7 | N11 | 160.9° | 5.2° |
C1 | C6 | C5 | H2 | 180.0° | 179.8° |
C6 | C1 | C2 | H5 | 179.4° | 179.7° |
C3 | C2 | C1 | H5 | 180.0° | 179.9° |
C3 | C2 | C1 | C7 | 179.7° | 180.0° |
C2 | C1 | C7 | C8 | 162.3° | 4.7° |
C2 | C1 | C7 | N11 | 19.4° | 175.0° |
C2 | C1 | C6 | H3 | 179.9° | 180.0° |
C1 | C2 | C3 | H4 | 178.9° | 180.0° |
C1 | C7 | C8 | N11 | 178.6° | 179.8° |
C1 | C7 | C8 | N9 | 179.7° | 179.7° |
C1 | C7 | N11 | C10 | 179.7° | 179.7° |
C1 | C7 | N11 | N14 | 0.6° | 0.3° |
C1 | C7 | C8 | H1 | 0.2° | 0.2° |
C7 | C1 | C6 | H3 | 0.2° | 0.3° |
C7 | C1 | C2 | H5 | 0.3° | 0.0° |
C7 | C8 | N9 | H1 | 180.0° | 179.9° |
C7 | C8 | N9 | C10 | 0.2° | 0.0° |
C8 | C7 | N11 | C10 | 1.6° | 0.0° |
C8 | C7 | N11 | N14 | 178.1° | 180.0° |
N9 | C8 | C7 | N11 | 1.1° | 0.0° |
C8 | N9 | C10 | N11 | 0.8° | 0.0° |
C8 | N9 | C10 | S12 | 177.5° | 180.0° |
C7 | N11 | C10 | N9 | 1.6° | 0.0° |
C7 | N11 | C10 | N14 | 179.7° | 180.0° |
C7 | N11 | C10 | S12 | 177.2° | 180.0° |
C7 | N11 | N14 | C13 | 178.0° | 180.0° |
N11 | C7 | C8 | H1 | 178.8° | 180.0° |
N9 | C10 | N11 | S12 | 178.8° | 180.0° |
N9 | C10 | N11 | N14 | 178.1° | 180.0° |
N9 | C10 | S12 | C13 | 179.7° | 180.0° |
C10 | N9 | C8 | H1 | 179.8° | 179.9° |
C10 | N11 | N14 | C13 | 2.4° | 0.0° |
N11 | C10 | S12 | C13 | 2.0° | 0.0° |
N14 | N11 | C10 | S12 | 3.1° | 0.0° |
N11 | N14 | C13 | S12 | 0.6° | 0.0° |
N11 | N14 | C13 | N15 | 177.1° | 179.9° |
C10 | S12 | C13 | N14 | 0.8° | 0.0° |
C10 | S12 | C13 | N15 | 175.6° | 179.9° |
N14 | C13 | S12 | N15 | 176.4° | 179.9° |
N14 | C13 | N15 | C16 | 2.5° | 180.0° |
N14 | C13 | N15 | H6 | 119.2° | 0.0° |
S12 | C13 | N15 | C16 | 179.0° | 0.1° |
S12 | C13 | N15 | H6 | 57.3° | 180.0° |
C13 | N15 | C16 | H6 | 121.7° | 180.0° |
C13 | N15 | C16 | C17 | 146.7° | 180.0° |
C13 | N15 | C16 | H7 | 26.4° | 60.0° |
C13 | N15 | C16 | H8 | 93.1° | 59.9° |
N15 | C16 | C17 | H7 | 120.3° | 120.0° |
N15 | C16 | C17 | H8 | 120.3° | 120.0° |
N15 | C16 | C17 | C18 | 67.9° | 180.0° |
N15 | C16 | H7 | H8 | 119.3° | 120.0° |
N15 | C16 | C17 | H9 | 171.8° | 60.0° |
N15 | C16 | C17 | H10 | 52.5° | 60.0° |
C16 | C17 | C18 | H9 | 120.3° | 120.0° |
C16 | C17 | C18 | H10 | 120.3° | 120.0° |
C17 | C16 | N15 | H6 | 91.6° | 0.0° |
C17 | C16 | H7 | H8 | 119.3° | 120.1° |
C16 | C17 | H9 | H10 | 119.0° | 120.0° |
C16 | C17 | C18 | H11 | 180.0° | 60.0° |
C16 | C17 | C18 | H12 | 60.0° | 60.0° |
C16 | C17 | C18 | H13 | 60.0° | 180.0° |
C18 | C17 | C16 | H7 | 52.4° | 60.0° |
C18 | C17 | C16 | H8 | 171.9° | 60.0° |
C18 | C17 | H9 | H10 | 119.0° | 120.0° |
C17 | C18 | H11 | H12 | 120.0° | 120.1° |
C17 | C18 | H11 | H13 | 120.0° | 120.0° |
C17 | C18 | H12 | H13 | 120.0° | 120.0° |
H2 | C5 | C6 | H3 | 0.1° | 0.2° |
H4 | C3 | C2 | H5 | 1.1° | 0.0° |
H6 | N15 | C16 | H7 | 148.1° | 120.0° |
H6 | N15 | C16 | H8 | 28.7° | 120.0° |
H7 | C16 | C17 | H9 | 67.9° | 180.0° |
H7 | C16 | C17 | H10 | 172.7° | 60.0° |
H8 | C16 | C17 | H9 | 51.5° | 60.0° |
H8 | C16 | C17 | H10 | 67.8° | 180.0° |
H9 | C17 | C18 | H11 | 59.7° | 180.0° |
H9 | C17 | C18 | H12 | 179.7° | 60.0° |
H9 | C17 | C18 | H13 | 60.3° | 60.0° |
H10 | C17 | C18 | H11 | 59.7° | 60.0° |
H10 | C17 | C18 | H12 | 60.4° | 180.0° |
H10 | C17 | C18 | H13 | 179.7° | 60.0° |
H11 | C18 | H12 | H13 | 120.0° | 119.9° |