VMA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C22 | C23 | doub | 1.39Å | 1.26Å | Aromatic |
C22 | C21 | sing | 1.39Å | 1.33Å | Aromatic |
C23 | C24 | sing | 1.38Å | 1.27Å | Aromatic |
C21 | C20 | doub | 1.38Å | 1.34Å | Aromatic |
C24 | N25 | doub | 1.32Å | 1.22Å | Aromatic |
C20 | N25 | sing | 1.32Å | 1.34Å | Aromatic |
C20 | C19 | sing | 1.51Å | 1.51Å | |
C19 | C26 | sing | 1.53Å | 1.53Å | |
C19 | S18 | sing | 1.81Å | 1.78Å | |
C10 | N9 | sing | 1.47Å | 1.49Å | |
S18 | C3 | sing | 1.76Å | 1.78Å | |
N4 | C5 | sing | 1.34Å | 1.36Å | |
N4 | C3 | doub | 1.31Å | 1.38Å | |
N9 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
N9 | N8 | sing | 1.40Å | 1.42Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.45Å | Aromatic |
C3 | N2 | sing | 1.37Å | 1.39Å | |
N8 | C7 | doub | 1.30Å | 1.37Å | Aromatic |
C6 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
C6 | C1 | sing | 1.42Å | 1.48Å | |
N2 | C1 | sing | 1.35Å | 1.42Å | |
N2 | C12 | sing | 1.40Å | 1.41Å | |
C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C1 | O11 | doub | 1.22Å | 1.25Å | |
C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
C21 | H1 | sing | 1.08Å | 1.08Å | |
C24 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.08Å | 1.08Å | |
C16 | H8 | sing | 1.08Å | 1.08Å | |
C15 | H9 | sing | 1.08Å | 1.08Å | |
C14 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
C19 | H12 | sing | 1.09Å | 1.10Å | |
C26 | H13 | sing | 1.09Å | 1.10Å | |
C26 | H14 | sing | 1.09Å | 1.10Å | |
C26 | H15 | sing | 1.09Å | 1.10Å | |
C23 | H16 | sing | 1.08Å | 1.08Å | |
C22 | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | C22 | C21 | 119.8° | 118.4° |
C22 | C23 | C24 | 121.1° | 119.2° |
C22 | C23 | H16 | 119.4° | 120.4° |
C23 | C22 | H17 | 120.1° | 120.8° |
C22 | C21 | C20 | 118.4° | 119.2° |
C22 | C21 | H1 | 120.8° | 120.4° |
C21 | C22 | H17 | 120.1° | 120.8° |
C23 | C24 | N25 | 122.7° | 120.8° |
C23 | C24 | H2 | 118.7° | 119.7° |
C24 | C23 | H16 | 119.4° | 120.4° |
C21 | C20 | N25 | 116.8° | 120.8° |
C21 | C20 | C19 | 121.6° | 119.6° |
C20 | C21 | H1 | 120.8° | 120.4° |
C24 | N25 | C20 | 121.0° | 121.7° |
N25 | C24 | H2 | 118.7° | 119.6° |
N25 | C20 | C19 | 121.6° | 119.6° |
C20 | C19 | C26 | 110.3° | 109.5° |
C20 | C19 | S18 | 113.2° | 109.5° |
C20 | C19 | H12 | 108.9° | 109.5° |
C26 | C19 | S18 | 109.8° | 109.4° |
C26 | C19 | H12 | 108.6° | 109.4° |
C19 | C26 | H13 | 109.5° | 109.5° |
C19 | C26 | H14 | 109.5° | 109.4° |
C19 | C26 | H15 | 109.5° | 109.4° |
C19 | S18 | C3 | 108.1° | 100.0° |
S18 | C19 | H12 | 105.9° | 109.5° |
C10 | N9 | C5 | 134.6° | 125.9° |
C10 | N9 | N8 | 116.5° | 125.8° |
N9 | C10 | H4 | 109.5° | 109.5° |
N9 | C10 | H5 | 109.5° | 109.5° |
N9 | C10 | H6 | 109.5° | 109.4° |
S18 | C3 | N4 | 117.5° | 119.0° |
S18 | C3 | N2 | 121.1° | 119.0° |
C5 | N4 | C3 | 121.1° | 121.2° |
N4 | C5 | N9 | 129.1° | 133.9° |
N4 | C5 | C6 | 121.6° | 119.5° |
N4 | C3 | N2 | 121.4° | 122.0° |
C5 | N9 | N8 | 108.9° | 108.3° |
N9 | C5 | C6 | 109.3° | 106.6° |
N9 | N8 | C7 | 108.3° | 109.5° |
C5 | C6 | C7 | 104.8° | 107.1° |
C5 | C6 | C1 | 117.0° | 118.7° |
C3 | N2 | C1 | 121.0° | 120.3° |
C3 | N2 | C12 | 120.1° | 119.8° |
N8 | C7 | C6 | 108.7° | 108.4° |
N8 | C7 | H3 | 125.6° | 125.8° |
C7 | C6 | C1 | 138.1° | 134.1° |
C6 | C7 | H3 | 125.7° | 125.8° |
C6 | C1 | N2 | 117.8° | 118.3° |
C6 | C1 | O11 | 120.3° | 120.8° |
C1 | N2 | C12 | 118.9° | 119.9° |
N2 | C1 | O11 | 121.9° | 120.9° |
N2 | C12 | C13 | 118.5° | 120.1° |
N2 | C12 | C17 | 121.8° | 120.1° |
C12 | C13 | C14 | 119.9° | 119.9° |
C13 | C12 | C17 | 119.7° | 119.9° |
C12 | C13 | H11 | 120.0° | 120.0° |
C13 | C14 | C15 | 120.3° | 120.1° |
C13 | C14 | H10 | 119.8° | 119.9° |
C14 | C13 | H11 | 120.0° | 120.1° |
C12 | C17 | C16 | 120.6° | 119.9° |
C12 | C17 | H7 | 119.7° | 120.0° |
C14 | C15 | C16 | 119.7° | 120.1° |
C14 | C15 | H9 | 120.1° | 119.9° |
C15 | C14 | H10 | 119.9° | 120.0° |
C17 | C16 | C15 | 119.7° | 120.1° |
C16 | C17 | H7 | 119.7° | 120.0° |
C17 | C16 | H8 | 120.1° | 120.0° |
C15 | C16 | H8 | 120.1° | 120.0° |
C16 | C15 | H9 | 120.1° | 119.9° |
H4 | C10 | H5 | 109.5° | 109.5° |
H4 | C10 | H6 | 109.5° | 109.5° |
H5 | C10 | H6 | 109.5° | 109.5° |
H13 | C26 | H14 | 109.5° | 109.5° |
H13 | C26 | H15 | 109.5° | 109.4° |
H14 | C26 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | C22 | C21 | H17 | 180.0° | 179.6° |
C22 | C23 | C24 | H16 | 180.0° | 179.2° |
C23 | C22 | C21 | C20 | 0.1° | 0.1° |
C22 | C23 | C24 | N25 | 6.0° | 0.8° |
C23 | C22 | C21 | H1 | 180.0° | 179.7° |
C22 | C23 | C24 | H2 | 174.0° | 179.8° |
C21 | C22 | C23 | C24 | 3.0° | 0.4° |
C22 | C21 | C20 | H1 | 180.0° | 179.6° |
C22 | C21 | C20 | N25 | 0.2° | 0.3° |
C22 | C21 | C20 | C19 | 179.8° | 179.7° |
C21 | C22 | C23 | H16 | 177.0° | 179.7° |
C23 | C24 | N25 | H2 | 180.0° | 179.5° |
C23 | C24 | N25 | C20 | 5.7° | 0.5° |
C24 | C23 | C22 | H17 | 177.0° | 180.0° |
C21 | C20 | N25 | C24 | 2.6° | 0.0° |
C21 | C20 | N25 | C19 | 180.0° | 179.9° |
C21 | C20 | C19 | C26 | 92.4° | 125.0° |
C21 | C20 | C19 | S18 | 144.3° | 115.0° |
C21 | C20 | C19 | H12 | 26.7° | 5.1° |
C20 | C21 | C22 | H17 | 179.9° | 179.5° |
C24 | N25 | C20 | C19 | 177.5° | 180.0° |
N25 | C24 | C23 | H16 | 174.0° | 180.0° |
N25 | C20 | C19 | C26 | 87.7° | 55.0° |
N25 | C20 | C19 | S18 | 35.7° | 65.0° |
N25 | C20 | C21 | H1 | 179.8° | 180.0° |
C20 | N25 | C24 | H2 | 174.3° | 180.0° |
N25 | C20 | C19 | H12 | 153.2° | 175.0° |
C20 | C19 | C26 | S18 | 125.3° | 120.0° |
C20 | C19 | C26 | H12 | 119.3° | 120.0° |
C20 | C19 | S18 | H12 | 119.3° | 120.0° |
C20 | C19 | S18 | C3 | 148.2° | 175.0° |
C19 | C20 | C21 | H1 | 0.3° | 0.1° |
C20 | C19 | C26 | H13 | 180.0° | 180.0° |
C20 | C19 | C26 | H14 | 60.0° | 60.0° |
C20 | C19 | C26 | H15 | 60.0° | 60.0° |
C26 | C19 | S18 | H12 | 117.0° | 120.0° |
C26 | C19 | S18 | C3 | 88.1° | 65.0° |
C19 | C26 | H13 | H14 | 120.0° | 120.0° |
C19 | C26 | H13 | H15 | 120.0° | 120.0° |
C19 | C26 | H14 | H15 | 120.0° | 120.0° |
C19 | S18 | C3 | N4 | 3.2° | 0.0° |
C19 | S18 | C3 | N2 | 176.8° | 179.6° |
S18 | C19 | C26 | H13 | 54.7° | 59.9° |
S18 | C19 | C26 | H14 | 174.7° | 180.0° |
S18 | C19 | C26 | H15 | 65.3° | 60.0° |
C10 | N9 | C5 | N4 | 0.0° | 0.4° |
C10 | N9 | C5 | N8 | 179.9° | 179.9° |
C10 | N9 | C5 | C6 | 179.9° | 180.0° |
C10 | N9 | N8 | C7 | 179.8° | 180.0° |
N9 | C10 | H4 | H5 | 120.0° | 120.0° |
N9 | C10 | H4 | H6 | 120.0° | 120.0° |
N9 | C10 | H5 | H6 | 120.0° | 120.0° |
S18 | C3 | N4 | C5 | 179.8° | 179.9° |
S18 | C3 | N4 | N2 | 179.9° | 179.6° |
S18 | C3 | N2 | C1 | 179.5° | 179.8° |
S18 | C3 | N2 | C12 | 1.5° | 0.5° |
C3 | S18 | C19 | H12 | 29.0° | 55.0° |
N4 | C5 | N9 | C6 | 179.9° | 179.6° |
N4 | C5 | N9 | N8 | 179.9° | 179.6° |
C5 | N4 | C3 | N2 | 0.3° | 0.4° |
N4 | C5 | C6 | C7 | 179.9° | 179.7° |
N4 | C5 | C6 | C1 | 0.1° | 0.3° |
C3 | N4 | C5 | N9 | 179.9° | 179.6° |
C3 | N4 | C5 | C6 | 0.0° | 0.1° |
N4 | C3 | N2 | C1 | 0.6° | 0.6° |
N4 | C3 | N2 | C12 | 178.6° | 180.0° |
C5 | N9 | N8 | C7 | 0.3° | 0.1° |
N9 | C5 | C6 | C7 | 0.0° | 0.0° |
N9 | C5 | C6 | C1 | 180.0° | 179.9° |
C5 | N9 | C10 | H4 | 179.9° | 90.0° |
C5 | N9 | C10 | H5 | 59.9° | 150.0° |
C5 | N9 | C10 | H6 | 60.1° | 30.0° |
N8 | N9 | C5 | C6 | 0.2° | 0.0° |
N9 | N8 | C7 | C6 | 0.3° | 0.0° |
N9 | N8 | C7 | H3 | 179.7° | 180.0° |
N8 | N9 | C10 | H4 | 0.0° | 90.1° |
N8 | N9 | C10 | H5 | 120.0° | 30.0° |
N8 | N9 | C10 | H6 | 120.0° | 149.9° |
C5 | C6 | C7 | N8 | 0.1° | 0.0° |
C5 | C6 | C7 | C1 | 179.9° | 180.0° |
C5 | C6 | C1 | N2 | 0.4° | 0.0° |
C5 | C6 | C1 | O11 | 179.8° | 180.0° |
C5 | C6 | C7 | H3 | 179.9° | 180.0° |
C3 | N2 | C1 | C6 | 0.7° | 0.4° |
C3 | N2 | C1 | C12 | 178.0° | 179.3° |
C3 | N2 | C12 | C13 | 94.4° | 89.8° |
C3 | N2 | C1 | O11 | 179.6° | 179.5° |
C3 | N2 | C12 | C17 | 85.7° | 90.5° |
N8 | C7 | C6 | H3 | 180.0° | 180.0° |
N8 | C7 | C6 | C1 | 179.7° | 180.0° |
C7 | C6 | C1 | N2 | 179.7° | 179.9° |
C7 | C6 | C1 | O11 | 0.1° | 0.0° |
C6 | C1 | N2 | O11 | 179.7° | 179.9° |
C6 | C1 | N2 | C12 | 178.7° | 179.8° |
C1 | C6 | C7 | H3 | 0.3° | 0.0° |
C1 | N2 | C12 | C13 | 83.7° | 89.5° |
C1 | N2 | C12 | C17 | 96.3° | 90.1° |
N2 | C12 | C13 | C17 | 180.0° | 179.6° |
N2 | C12 | C13 | C14 | 179.9° | 179.7° |
C12 | N2 | C1 | O11 | 1.6° | 0.2° |
N2 | C12 | C17 | C16 | 179.9° | 180.0° |
N2 | C12 | C17 | H7 | 0.1° | 0.1° |
N2 | C12 | C13 | H11 | 0.1° | 0.0° |
C12 | C13 | C14 | H11 | 180.0° | 179.7° |
C12 | C13 | C14 | C15 | 0.0° | 0.7° |
C13 | C12 | C17 | C16 | 0.1° | 0.3° |
C13 | C12 | C17 | H7 | 179.9° | 179.8° |
C12 | C13 | C14 | H10 | 180.0° | 179.7° |
C14 | C13 | C12 | C17 | 0.1° | 0.7° |
C13 | C14 | C15 | H10 | 180.0° | 179.7° |
C13 | C14 | C15 | C16 | 0.0° | 0.3° |
C13 | C14 | C15 | H9 | 180.0° | 179.7° |
C12 | C17 | C16 | H7 | 180.0° | 179.9° |
C12 | C17 | C16 | C15 | 0.1° | 0.0° |
C12 | C17 | C16 | H8 | 179.9° | 180.0° |
C17 | C12 | C13 | H11 | 179.9° | 179.7° |
C14 | C15 | C16 | C17 | 0.0° | 0.0° |
C14 | C15 | C16 | H9 | 180.0° | 180.0° |
C14 | C15 | C16 | H8 | 180.0° | 180.0° |
C15 | C14 | C13 | H11 | 180.0° | 179.7° |
C17 | C16 | C15 | H8 | 180.0° | 180.0° |
C17 | C16 | C15 | H9 | 180.0° | 180.0° |
C15 | C16 | C17 | H7 | 180.0° | 179.9° |
C16 | C15 | C14 | H10 | 180.0° | 180.0° |
H1 | C21 | C22 | H17 | 0.1° | 0.1° |
H2 | C24 | C23 | H16 | 6.0° | 0.5° |
H4 | C10 | H5 | H6 | 120.0° | 120.0° |
H7 | C17 | C16 | H8 | 0.0° | 0.1° |
H8 | C16 | C15 | H9 | 0.0° | 0.0° |
H9 | C15 | C14 | H10 | 0.0° | 0.0° |
H10 | C14 | C13 | H11 | 0.0° | 0.0° |
H12 | C19 | C26 | H13 | 60.7° | 60.0° |
H12 | C19 | C26 | H14 | 59.3° | 60.0° |
H12 | C19 | C26 | H15 | 179.3° | 180.0° |
H13 | C26 | H14 | H15 | 120.0° | 120.0° |
H16 | C23 | C22 | H17 | 3.0° | 0.7° |