RSV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N12 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
C4 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
C15 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C1 | C7 | sing | 1.48Å | 1.40Å | Aromatic |
C7 | C10 | doub | 1.35Å | 1.35Å | Aromatic |
C7 | C8 | sing | 1.39Å | 1.36Å | Aromatic |
C8 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C10 | S9 | sing | 1.76Å | 1.71Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C13 | N12 | sing | 1.32Å | 1.35Å | Aromatic |
N16 | C13 | sing | 1.39Å | 1.33Å | |
C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.36Å | 1.40Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
N16 | HN16 | sing | 0.97Å | 1.00Å | |
N16 | HN1A | sing | 0.97Å | 1.00Å | |
C3 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
S9 | C11 | sing | 1.76Å | 1.67Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N12 | C4 | C3 | 119.6° | 120.7° |
N12 | C4 | C5 | 120.7° | 119.9° |
C4 | N12 | C13 | 121.4° | 121.3° |
C3 | C4 | C5 | 119.7° | 119.4° |
C4 | C3 | C2 | 120.5° | 120.0° |
C4 | C3 | H3 | 119.7° | 120.0° |
C4 | C5 | C15 | 119.4° | 119.1° |
C4 | C5 | C6 | 119.8° | 119.7° |
C15 | C5 | C6 | 120.8° | 121.1° |
C5 | C15 | C14 | 118.9° | 118.3° |
C5 | C15 | H15 | 120.6° | 120.9° |
C5 | C6 | C1 | 120.8° | 119.5° |
C5 | C6 | H6 | 119.6° | 120.3° |
C1 | C6 | H6 | 119.6° | 120.3° |
C6 | C1 | C7 | 121.3° | 119.8° |
C6 | C1 | C2 | 119.1° | 120.4° |
C1 | C7 | C10 | 125.5° | 122.8° |
C1 | C7 | C8 | 121.1° | 122.7° |
C7 | C1 | C2 | 119.6° | 119.9° |
C10 | C7 | C8 | 113.4° | 114.5° |
C7 | C10 | S9 | 106.2° | 109.6° |
C7 | C10 | H10 | 126.9° | 125.2° |
C7 | C8 | C11 | 118.4° | 114.9° |
C7 | C8 | H8 | 120.8° | 122.6° |
C11 | C8 | H8 | 120.8° | 122.5° |
C8 | C11 | S9 | 104.7° | 109.9° |
C8 | C11 | H11 | 127.7° | 125.1° |
S9 | C10 | H10 | 126.8° | 125.3° |
C10 | S9 | C11 | 97.3° | 91.1° |
N12 | C13 | N16 | 119.6° | 119.2° |
N12 | C13 | C14 | 120.3° | 121.6° |
N16 | C13 | C14 | 120.1° | 119.2° |
C13 | N16 | HN16 | 109.5° | 120.0° |
C13 | N16 | HN1A | 109.5° | 120.0° |
C13 | C14 | C15 | 119.3° | 119.9° |
C13 | C14 | H14 | 120.3° | 120.1° |
C14 | C15 | H15 | 120.6° | 120.8° |
C15 | C14 | H14 | 120.3° | 120.0° |
HN16 | N16 | HN1A | 109.4° | 120.0° |
C2 | C3 | H3 | 119.7° | 120.0° |
C3 | C2 | C1 | 120.2° | 121.0° |
C3 | C2 | H2 | 119.9° | 119.5° |
C1 | C2 | H2 | 119.9° | 119.5° |
S9 | C11 | H11 | 127.7° | 125.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N12 | C4 | C3 | C5 | 179.0° | 179.7° |
N12 | C4 | C5 | C15 | 0.4° | 0.3° |
N12 | C4 | C5 | C6 | 179.0° | 179.7° |
C4 | N12 | C13 | N16 | 179.1° | 180.0° |
C4 | N12 | C13 | C14 | 0.2° | 0.0° |
N12 | C4 | C3 | C2 | 179.4° | 179.7° |
N12 | C4 | C3 | H3 | 0.6° | 0.4° |
C3 | C4 | C5 | C15 | 179.4° | 180.0° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | N12 | C13 | 179.2° | 180.0° |
C4 | C3 | C2 | H3 | 180.0° | 179.9° |
C4 | C3 | C2 | C1 | 0.3° | 0.1° |
C4 | C3 | C2 | H2 | 179.7° | 180.0° |
C4 | C5 | C15 | C6 | 179.5° | 180.0° |
C4 | C5 | C6 | C1 | 1.0° | 0.0° |
C4 | C5 | C6 | H6 | 179.0° | 180.0° |
C5 | C4 | N12 | C13 | 0.2° | 0.3° |
C4 | C5 | C15 | C14 | 0.3° | 0.1° |
C4 | C5 | C15 | H15 | 179.8° | 180.0° |
C5 | C4 | C3 | C2 | 0.4° | 0.1° |
C5 | C4 | C3 | H3 | 179.6° | 180.0° |
C15 | C5 | C6 | C1 | 179.5° | 180.0° |
C15 | C5 | C6 | H6 | 0.4° | 0.0° |
C5 | C15 | C14 | C13 | 0.1° | 0.2° |
C5 | C15 | C14 | H15 | 180.0° | 180.0° |
C5 | C15 | C14 | H14 | 179.8° | 179.9° |
C5 | C6 | C1 | H6 | 180.0° | 180.0° |
C5 | C6 | C1 | C7 | 179.2° | 180.0° |
C6 | C5 | C15 | C14 | 179.2° | 180.0° |
C6 | C5 | C15 | H15 | 0.8° | 0.0° |
C5 | C6 | C1 | C2 | 1.7° | 0.1° |
C6 | C1 | C7 | C2 | 177.5° | 179.9° |
C6 | C1 | C7 | C10 | 40.0° | 0.0° |
C6 | C1 | C7 | C8 | 137.6° | 179.7° |
C6 | C1 | C2 | C3 | 1.4° | 0.1° |
C6 | C1 | C2 | H2 | 178.6° | 180.0° |
H6 | C6 | C1 | C7 | 0.8° | 0.0° |
H6 | C6 | C1 | C2 | 178.3° | 179.9° |
C1 | C7 | C10 | C8 | 177.7° | 179.7° |
C1 | C7 | C8 | C11 | 179.0° | 179.7° |
C1 | C7 | C8 | H8 | 1.0° | 0.4° |
C1 | C7 | C10 | S9 | 178.6° | 179.7° |
C1 | C7 | C10 | H10 | 1.4° | 0.2° |
C7 | C1 | C2 | C3 | 178.9° | 180.0° |
C7 | C1 | C2 | H2 | 1.1° | 0.1° |
C10 | C7 | C8 | C11 | 1.2° | 0.0° |
C10 | C7 | C8 | H8 | 178.9° | 180.0° |
C7 | C10 | S9 | H10 | 180.0° | 179.9° |
C10 | C7 | C1 | C2 | 142.5° | 179.9° |
C7 | C10 | S9 | C11 | 0.4° | 0.0° |
C7 | C8 | C11 | H8 | 180.0° | 179.9° |
C8 | C7 | C10 | S9 | 0.9° | 0.0° |
C8 | C7 | C10 | H10 | 179.1° | 179.9° |
C8 | C7 | C1 | C2 | 39.9° | 0.4° |
C7 | C8 | C11 | S9 | 0.8° | 0.1° |
C7 | C8 | C11 | H11 | 179.2° | 179.9° |
C8 | C11 | S9 | C10 | 0.2° | 0.1° |
C8 | C11 | S9 | H11 | 180.0° | 180.0° |
H8 | C8 | C11 | S9 | 179.2° | 180.0° |
H8 | C8 | C11 | H11 | 0.8° | 0.0° |
C10 | S9 | C11 | H11 | 179.7° | 180.0° |
H10 | C10 | S9 | C11 | 179.6° | 180.0° |
N12 | C13 | N16 | C14 | 178.9° | 180.0° |
N12 | C13 | C14 | C15 | 0.4° | 0.2° |
N12 | C13 | C14 | H14 | 179.6° | 180.0° |
N12 | C13 | N16 | HN16 | 0.0° | 0.0° |
N12 | C13 | N16 | HN1A | 120.0° | 180.0° |
N16 | C13 | C14 | C15 | 179.3° | 179.8° |
N16 | C13 | C14 | H14 | 0.7° | 0.0° |
C13 | N16 | HN16 | HN1A | 120.0° | 179.9° |
C13 | C14 | C15 | H14 | 180.0° | 179.8° |
C13 | C14 | C15 | H15 | 179.8° | 179.8° |
C14 | C13 | N16 | HN16 | 178.9° | 180.0° |
C14 | C13 | N16 | HN1A | 58.9° | 0.0° |
H15 | C15 | C14 | H14 | 0.2° | 0.0° |
C3 | C2 | C1 | H2 | 180.0° | 179.9° |
H3 | C3 | C2 | C1 | 179.6° | 180.0° |
H3 | C3 | C2 | H2 | 0.4° | 0.1° |