D14
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.42Å | 1.43Å | Aromatic |
C1 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C1 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
CL1 | C9 | sing | 1.74Å | 1.71Å | |
C2 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | N5 | sing | 1.34Å | 1.36Å | Aromatic |
C4 | C12 | sing | 1.48Å | 1.50Å | |
N5 | C6 | doub | 1.31Å | 1.34Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | C8 | doub | 1.36Å | 1.41Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C12 | N13 | sing | 1.35Å | 1.33Å | |
C12 | O15 | doub | 1.22Å | 1.23Å | |
N13 | C14 | sing | 1.47Å | 1.45Å | |
N13 | HN13 | sing | 0.97Å | 1.00Å | |
C14 | C16 | sing | 1.53Å | 1.55Å | |
C14 | C20 | sing | 1.53Å | 1.55Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C16 | N26 | sing | 1.47Å | 1.46Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C17 | C18 | sing | 1.53Å | 1.55Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C18 | C19 | sing | 1.53Å | 1.55Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | C24 | sing | 1.51Å | 1.54Å | |
C19 | C20 | sing | 1.53Å | 1.54Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
N26 | C27 | sing | 1.35Å | 1.33Å | |
N26 | HN26 | sing | 0.97Å | 1.00Å | |
C27 | C28 | sing | 1.47Å | 1.49Å | |
C27 | O29 | doub | 1.22Å | 1.23Å | |
C28 | N30 | doub | 1.30Å | 1.35Å | Aromatic |
C28 | S33 | sing | 1.76Å | 1.79Å | Aromatic |
N30 | C31 | sing | 1.32Å | 1.40Å | Aromatic |
C31 | C32 | doub | 1.35Å | 1.34Å | Aromatic |
C31 | C36 | sing | 1.53Å | 1.48Å | |
C32 | S33 | sing | 1.71Å | 1.72Å | Aromatic |
C32 | C34 | sing | 1.52Å | 1.48Å | |
C34 | N35 | sing | 1.48Å | 1.48Å | |
C34 | H34 | sing | 1.09Å | 1.10Å | |
C34 | H34A | sing | 1.09Å | 1.10Å | |
N35 | C36 | sing | 1.48Å | 1.47Å | |
N35 | C37 | sing | 1.47Å | 1.45Å | |
C36 | H36 | sing | 1.09Å | 1.10Å | |
C36 | H36A | sing | 1.09Å | 1.10Å | |
C37 | H37 | sing | 1.09Å | 1.10Å | |
C37 | H37A | sing | 1.09Å | 1.10Å | |
C37 | H37B | sing | 1.09Å | 1.10Å | |
C24 | O3 | doub | 1.21Å | 1.22Å | |
C24 | N6 | sing | 1.35Å | 1.47Å | |
N6 | C25 | sing | 1.47Å | 1.47Å | |
N6 | C26 | sing | 1.46Å | 1.47Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H27 | sing | 1.09Å | 1.10Å | |
C26 | H28 | sing | 1.09Å | 1.10Å | |
C26 | H29 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 119.5° | 118.8° |
C2 | C1 | C10 | 119.7° | 119.3° |
C1 | C2 | C3 | 118.0° | 118.3° |
C1 | C2 | C7 | 121.2° | 119.6° |
C6 | C1 | C10 | 120.8° | 121.9° |
C1 | C6 | N5 | 123.0° | 120.3° |
C1 | C6 | H6 | 118.5° | 119.8° |
C1 | C10 | C9 | 118.4° | 119.5° |
C1 | C10 | H10 | 120.8° | 120.2° |
CL1 | C9 | C8 | 120.4° | 119.5° |
CL1 | C9 | C10 | 116.4° | 119.4° |
C3 | C2 | C7 | 120.8° | 122.1° |
C2 | C3 | C4 | 118.2° | 118.5° |
C2 | C3 | H3 | 120.9° | 120.7° |
C2 | C7 | C8 | 119.6° | 119.5° |
C2 | C7 | H7 | 120.2° | 120.3° |
C4 | C3 | H3 | 120.9° | 120.7° |
C3 | C4 | N5 | 124.0° | 121.4° |
C3 | C4 | C12 | 118.9° | 119.3° |
N5 | C4 | C12 | 117.0° | 119.3° |
C4 | N5 | C6 | 117.3° | 122.7° |
C4 | C12 | N13 | 112.0° | 120.0° |
C4 | C12 | O15 | 125.6° | 120.0° |
N5 | C6 | H6 | 118.5° | 119.9° |
C8 | C7 | H7 | 120.2° | 120.2° |
C7 | C8 | C9 | 117.9° | 120.9° |
C7 | C8 | H8 | 121.0° | 119.6° |
C9 | C8 | H8 | 121.1° | 119.5° |
C8 | C9 | C10 | 123.2° | 121.1° |
C9 | C10 | H10 | 120.8° | 120.3° |
N13 | C12 | O15 | 122.4° | 120.0° |
C12 | N13 | C14 | 122.9° | 120.0° |
C12 | N13 | HN13 | 118.6° | 120.0° |
C14 | N13 | HN13 | 118.6° | 120.0° |
N13 | C14 | C16 | 108.0° | 109.5° |
N13 | C14 | C20 | 110.3° | 109.5° |
N13 | C14 | H14 | 111.4° | 109.4° |
C16 | C14 | C20 | 113.6° | 109.5° |
C16 | C14 | H14 | 108.0° | 109.5° |
C14 | C16 | C17 | 109.0° | 109.5° |
C14 | C16 | N26 | 109.4° | 109.4° |
C14 | C16 | H16 | 110.8° | 109.5° |
C20 | C14 | H14 | 105.5° | 109.4° |
C14 | C20 | C19 | 112.5° | 109.5° |
C14 | C20 | H20 | 108.5° | 109.5° |
C14 | C20 | H20A | 108.5° | 109.4° |
C17 | C16 | N26 | 112.3° | 109.4° |
C17 | C16 | H16 | 107.8° | 109.5° |
C16 | C17 | C18 | 110.5° | 109.5° |
C16 | C17 | H17 | 109.1° | 109.5° |
C16 | C17 | H17A | 109.2° | 109.4° |
N26 | C16 | H16 | 107.4° | 109.5° |
C16 | N26 | C27 | 124.8° | 120.0° |
C16 | N26 | HN26 | 117.6° | 120.1° |
C18 | C17 | H17 | 109.1° | 109.5° |
C18 | C17 | H17A | 109.1° | 109.5° |
C17 | C18 | C19 | 110.7° | 109.5° |
C17 | C18 | H18 | 108.8° | 109.4° |
C17 | C18 | C24 | 109.1° | 109.5° |
H17 | C17 | H17A | 109.8° | 109.5° |
C19 | C18 | H18 | 108.8° | 109.5° |
C19 | C18 | C24 | 109.0° | 109.5° |
C18 | C19 | C20 | 111.1° | 109.5° |
C18 | C19 | H19 | 108.9° | 109.5° |
C18 | C19 | H19A | 109.0° | 109.5° |
H18 | C18 | C24 | 110.4° | 109.5° |
C18 | C24 | O3 | 120.0° | 120.0° |
C18 | C24 | N6 | 120.0° | 120.0° |
C20 | C19 | H19 | 108.9° | 109.5° |
C20 | C19 | H19A | 108.9° | 109.4° |
C19 | C20 | H20 | 108.5° | 109.5° |
C19 | C20 | H20A | 108.5° | 109.5° |
H19 | C19 | H19A | 110.0° | 109.5° |
H20 | C20 | H20A | 110.4° | 109.4° |
C27 | N26 | HN26 | 117.6° | 120.0° |
N26 | C27 | C28 | 113.4° | 120.0° |
N26 | C27 | O29 | 123.2° | 120.0° |
C28 | C27 | O29 | 123.4° | 120.0° |
C27 | C28 | N30 | 126.0° | 125.5° |
C27 | C28 | S33 | 119.7° | 125.6° |
N30 | C28 | S33 | 114.0° | 108.9° |
C28 | N30 | C31 | 109.0° | 116.7° |
C28 | S33 | C32 | 87.7° | 90.4° |
N30 | C31 | C32 | 116.4° | 114.4° |
N30 | C31 | C36 | 135.6° | 137.7° |
C32 | C31 | C36 | 108.0° | 107.9° |
C31 | C32 | S33 | 112.9° | 109.6° |
C31 | C32 | C34 | 112.6° | 109.2° |
C31 | C36 | N35 | 104.1° | 105.6° |
C31 | C36 | H36 | 111.3° | 110.2° |
C31 | C36 | H36A | 111.3° | 110.2° |
S33 | C32 | C34 | 134.5° | 141.2° |
C32 | C34 | N35 | 101.5° | 105.4° |
C32 | C34 | H34 | 112.2° | 110.2° |
C32 | C34 | H34A | 112.2° | 110.3° |
N35 | C34 | H34 | 112.2° | 110.3° |
N35 | C34 | H34A | 112.2° | 110.3° |
C34 | N35 | C36 | 106.3° | 103.3° |
C34 | N35 | C37 | 111.7° | 111.0° |
H34 | C34 | H34A | 106.6° | 110.3° |
C36 | N35 | C37 | 115.6° | 111.0° |
N35 | C36 | H36 | 111.3° | 110.2° |
N35 | C36 | H36A | 111.3° | 110.2° |
N35 | C37 | H37 | 109.5° | 109.4° |
N35 | C37 | H37A | 109.5° | 109.5° |
N35 | C37 | H37B | 109.4° | 109.4° |
H36 | C36 | H36A | 107.6° | 110.2° |
H37 | C37 | H37A | 109.5° | 109.5° |
H37 | C37 | H37B | 109.4° | 109.5° |
H37A | C37 | H37B | 109.5° | 109.5° |
O3 | C24 | N6 | 120.0° | 120.0° |
C24 | N6 | C25 | 120.0° | 120.0° |
C24 | N6 | C26 | 120.0° | 120.0° |
C25 | N6 | C26 | 120.0° | 120.0° |
N6 | C25 | H24 | 109.5° | 109.4° |
N6 | C25 | H25 | 109.5° | 109.5° |
N6 | C25 | H26 | 109.5° | 109.5° |
N6 | C26 | H27 | 109.5° | 109.4° |
N6 | C26 | H28 | 109.4° | 109.5° |
N6 | C26 | H29 | 109.5° | 109.5° |
H24 | C25 | H25 | 109.5° | 109.5° |
H24 | C25 | H26 | 109.4° | 109.4° |
H25 | C25 | H26 | 109.5° | 109.5° |
H27 | C26 | H28 | 109.5° | 109.5° |
H27 | C26 | H29 | 109.5° | 109.4° |
H28 | C26 | H29 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | C10 | 178.8° | 179.7° |
C1 | C2 | C3 | C7 | 179.4° | 179.9° |
C1 | C2 | C3 | C4 | 0.3° | 0.0° |
C1 | C2 | C3 | H3 | 179.7° | 179.9° |
C2 | C1 | C6 | N5 | 0.1° | 0.0° |
C2 | C1 | C6 | H6 | 179.9° | 179.9° |
C1 | C2 | C7 | C8 | 0.5° | 0.1° |
C1 | C2 | C7 | H7 | 179.5° | 180.0° |
C2 | C1 | C10 | C9 | 1.4° | 0.5° |
C2 | C1 | C10 | H10 | 178.6° | 179.9° |
C6 | C1 | C2 | C3 | 0.6° | 0.0° |
C6 | C1 | C2 | C7 | 180.0° | 179.9° |
C1 | C6 | N5 | C4 | 0.7° | 0.1° |
C1 | C6 | N5 | H6 | 180.0° | 180.0° |
C6 | C1 | C10 | C9 | 179.9° | 179.8° |
C6 | C1 | C10 | H10 | 0.2° | 0.2° |
C1 | C10 | C9 | CL1 | 179.3° | 179.7° |
C10 | C1 | C2 | C3 | 179.4° | 179.7° |
C10 | C1 | C2 | C7 | 1.2° | 0.2° |
C10 | C1 | C6 | N5 | 178.9° | 179.7° |
C10 | C1 | C6 | H6 | 1.1° | 0.3° |
C1 | C10 | C9 | C8 | 0.9° | 0.5° |
C1 | C10 | C9 | H10 | 180.0° | 179.6° |
CL1 | C9 | C8 | C7 | 178.6° | 180.0° |
CL1 | C9 | C8 | C10 | 178.4° | 179.7° |
CL1 | C9 | C8 | H8 | 1.4° | 0.0° |
CL1 | C9 | C10 | H10 | 0.6° | 0.2° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | N5 | 0.5° | 0.1° |
C2 | C3 | C4 | C12 | 178.4° | 180.0° |
C3 | C2 | C7 | C8 | 179.9° | 180.0° |
C3 | C2 | C7 | H7 | 0.1° | 0.1° |
C7 | C2 | C3 | C4 | 179.7° | 179.9° |
C7 | C2 | C3 | H3 | 0.3° | 0.0° |
C2 | C7 | C8 | H7 | 180.0° | 179.9° |
C2 | C7 | C8 | C9 | 0.0° | 0.0° |
C2 | C7 | C8 | H8 | 180.0° | 180.0° |
C3 | C4 | N5 | C12 | 177.9° | 180.0° |
C3 | C4 | N5 | C6 | 1.0° | 0.1° |
C3 | C4 | C12 | N13 | 134.1° | 180.0° |
C3 | C4 | C12 | O15 | 43.4° | 0.0° |
H3 | C3 | C4 | N5 | 179.5° | 179.9° |
H3 | C3 | C4 | C12 | 1.6° | 0.0° |
C4 | N5 | C6 | H6 | 179.3° | 179.9° |
N5 | C4 | C12 | N13 | 43.9° | 0.0° |
N5 | C4 | C12 | O15 | 138.6° | 180.0° |
C12 | C4 | N5 | C6 | 178.9° | 180.0° |
C4 | C12 | N13 | O15 | 177.6° | 180.0° |
C4 | C12 | N13 | C14 | 178.5° | 180.0° |
C4 | C12 | N13 | HN13 | 1.5° | 0.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.1° | 0.3° |
H7 | C7 | C8 | C9 | 180.0° | 179.9° |
H7 | C7 | C8 | H8 | 0.0° | 0.1° |
C8 | C9 | C10 | H10 | 179.1° | 179.9° |
H8 | C8 | C9 | C10 | 179.9° | 179.7° |
C12 | N13 | C14 | HN13 | 180.0° | 180.0° |
C12 | N13 | C14 | C16 | 101.8° | 155.0° |
C12 | N13 | C14 | C20 | 133.6° | 85.0° |
C12 | N13 | C14 | H14 | 16.7° | 35.0° |
O15 | C12 | N13 | C14 | 3.9° | 0.0° |
O15 | C12 | N13 | HN13 | 176.1° | 180.0° |
N13 | C14 | C16 | C20 | 122.7° | 120.0° |
N13 | C14 | C16 | H14 | 120.6° | 120.0° |
N13 | C14 | C20 | H14 | 120.5° | 119.9° |
N13 | C14 | C16 | C17 | 177.2° | 180.0° |
N13 | C14 | C16 | N26 | 54.0° | 60.0° |
N13 | C14 | C16 | H16 | 64.3° | 60.0° |
N13 | C14 | C20 | C19 | 172.2° | 180.0° |
N13 | C14 | C20 | H20 | 67.8° | 60.0° |
N13 | C14 | C20 | H20A | 52.2° | 60.0° |
HN13 | N13 | C14 | C16 | 78.2° | 25.0° |
HN13 | N13 | C14 | C20 | 46.4° | 95.0° |
HN13 | N13 | C14 | H14 | 163.3° | 145.0° |
C16 | C14 | C20 | H14 | 118.2° | 120.0° |
C14 | C16 | C17 | N26 | 121.4° | 119.9° |
C14 | C16 | C17 | H16 | 120.4° | 120.1° |
C14 | C16 | N26 | H16 | 120.4° | 120.0° |
C14 | C16 | C17 | C18 | 59.1° | 60.0° |
C14 | C16 | C17 | H17 | 179.1° | 180.0° |
C14 | C16 | C17 | H17A | 60.9° | 60.0° |
C16 | C14 | C20 | C19 | 50.8° | 60.0° |
C16 | C14 | C20 | H20 | 170.8° | 180.0° |
C16 | C14 | C20 | H20A | 69.2° | 60.0° |
C14 | C16 | N26 | C27 | 160.4° | 155.0° |
C14 | C16 | N26 | HN26 | 19.6° | 25.0° |
C20 | C14 | C16 | C17 | 54.5° | 60.0° |
C20 | C14 | C16 | N26 | 68.7° | 60.0° |
C20 | C14 | C16 | H16 | 173.0° | 180.0° |
C14 | C20 | C19 | C18 | 50.4° | 60.0° |
C14 | C20 | C19 | H20 | 120.0° | 120.0° |
C14 | C20 | C19 | H20A | 120.0° | 120.0° |
C14 | C20 | C19 | H19 | 170.3° | 180.0° |
C14 | C20 | C19 | H19A | 69.7° | 60.0° |
C14 | C20 | H20 | H20A | 118.8° | 119.9° |
H14 | C14 | C16 | C17 | 62.2° | 60.0° |
H14 | C14 | C16 | N26 | 174.6° | 180.0° |
H14 | C14 | C16 | H16 | 56.3° | 60.0° |
H14 | C14 | C20 | C19 | 67.3° | 60.0° |
H14 | C14 | C20 | H20 | 52.7° | 60.0° |
H14 | C14 | C20 | H20A | 172.7° | 179.9° |
C17 | C16 | N26 | H16 | 118.4° | 120.0° |
C16 | C17 | C18 | H17 | 120.0° | 120.0° |
C16 | C17 | C18 | H17A | 120.0° | 120.0° |
C16 | C17 | H17 | H17A | 119.6° | 120.0° |
C16 | C17 | C18 | C19 | 60.9° | 60.0° |
C16 | C17 | C18 | H18 | 58.6° | 60.0° |
C16 | C17 | C18 | C24 | 179.1° | 180.0° |
C17 | C16 | N26 | C27 | 78.4° | 85.0° |
C17 | C16 | N26 | HN26 | 101.6° | 95.0° |
N26 | C16 | C17 | C18 | 62.3° | 60.0° |
N26 | C16 | C17 | H17 | 57.6° | 60.0° |
N26 | C16 | C17 | H17A | 177.6° | 180.0° |
C16 | N26 | C27 | HN26 | 180.0° | 180.0° |
C16 | N26 | C27 | C28 | 173.2° | 180.0° |
C16 | N26 | C27 | O29 | 6.6° | 0.0° |
H16 | C16 | C17 | C18 | 179.5° | 180.0° |
H16 | C16 | C17 | H17 | 60.5° | 59.9° |
H16 | C16 | C17 | H17A | 59.5° | 60.0° |
H16 | C16 | N26 | C27 | 40.0° | 35.0° |
H16 | C16 | N26 | HN26 | 140.0° | 145.0° |
C18 | C17 | H17 | H17A | 119.6° | 120.0° |
C17 | C18 | C19 | H18 | 119.5° | 119.9° |
C17 | C18 | C19 | C24 | 120.0° | 120.0° |
C17 | C18 | H18 | C24 | 119.7° | 120.0° |
C17 | C18 | C19 | C20 | 55.6° | 60.0° |
C17 | C18 | C19 | H19 | 175.6° | 180.0° |
C17 | C18 | C19 | H19A | 64.4° | 60.0° |
C17 | C18 | C24 | O3 | 111.9° | 23.7° |
C17 | C18 | C24 | N6 | 68.1° | 156.3° |
H17 | C17 | C18 | C19 | 179.1° | 180.0° |
H17 | C17 | C18 | H18 | 61.4° | 60.0° |
H17 | C17 | C18 | C24 | 59.1° | 60.0° |
H17A | C17 | C18 | C19 | 59.1° | 60.0° |
H17A | C17 | C18 | H18 | 178.6° | 180.0° |
H17A | C17 | C18 | C24 | 60.9° | 60.0° |
C19 | C18 | H18 | C24 | 119.6° | 120.0° |
C18 | C19 | C20 | H19 | 120.0° | 120.0° |
C18 | C19 | C20 | H19A | 120.0° | 120.0° |
C18 | C19 | H19 | H19A | 119.4° | 120.0° |
C18 | C19 | C20 | H20 | 170.4° | 180.0° |
C18 | C19 | C20 | H20A | 69.7° | 60.0° |
C19 | C18 | C24 | O3 | 9.1° | 96.3° |
C19 | C18 | C24 | N6 | 170.9° | 83.7° |
H18 | C18 | C19 | C20 | 63.8° | 60.0° |
H18 | C18 | C19 | H19 | 56.1° | 60.1° |
H18 | C18 | C19 | H19A | 176.1° | 179.9° |
H18 | C18 | C24 | O3 | 128.6° | 143.7° |
H18 | C18 | C24 | N6 | 51.4° | 36.4° |
C24 | C18 | C19 | C20 | 175.7° | 180.0° |
C24 | C18 | C19 | H19 | 64.4° | 60.0° |
C24 | C18 | C19 | H19A | 55.6° | 60.0° |
C18 | C24 | O3 | N6 | 180.0° | 180.0° |
C18 | C24 | N6 | C25 | 179.9° | 175.8° |
C18 | C24 | N6 | C26 | 0.1° | 4.3° |
C20 | C19 | H19 | H19A | 119.3° | 120.0° |
C19 | C20 | H20 | H20A | 118.8° | 120.0° |
H19 | C19 | C20 | H20 | 69.7° | 60.0° |
H19 | C19 | C20 | H20A | 50.3° | 60.0° |
H19A | C19 | C20 | H20 | 50.3° | 60.0° |
H19A | C19 | C20 | H20A | 170.3° | 180.0° |
N26 | C27 | C28 | O29 | 179.8° | 180.0° |
N26 | C27 | C28 | N30 | 6.8° | 180.0° |
N26 | C27 | C28 | S33 | 179.1° | 0.3° |
HN26 | N26 | C27 | C28 | 6.9° | 0.0° |
HN26 | N26 | C27 | O29 | 173.4° | 180.0° |
C27 | C28 | N30 | S33 | 174.4° | 179.8° |
C27 | C28 | N30 | C31 | 174.5° | 180.0° |
C27 | C28 | S33 | C32 | 174.9° | 179.9° |
O29 | C27 | C28 | N30 | 173.4° | 0.1° |
O29 | C27 | C28 | S33 | 0.7° | 179.7° |
C28 | N30 | C31 | C32 | 0.0° | 0.0° |
C28 | N30 | C31 | C36 | 179.0° | 179.8° |
N30 | C28 | S33 | C32 | 0.1° | 0.3° |
S33 | C28 | N30 | C31 | 0.1° | 0.2° |
C28 | S33 | C32 | C31 | 0.2° | 0.3° |
C28 | S33 | C32 | C34 | 179.3° | 179.9° |
N30 | C31 | C32 | C36 | 179.2° | 179.9° |
N30 | C31 | C32 | S33 | 0.2° | 0.3° |
N30 | C31 | C32 | C34 | 179.4° | 179.9° |
N30 | C31 | C36 | N35 | 162.6° | 162.1° |
N30 | C31 | C36 | H36 | 42.7° | 43.0° |
N30 | C31 | C36 | H36A | 77.3° | 78.9° |
C31 | C32 | S33 | C34 | 179.5° | 179.7° |
C31 | C32 | C34 | N35 | 16.4° | 17.7° |
C31 | C32 | C34 | H34 | 103.5° | 101.3° |
C31 | C32 | C34 | H34A | 136.4° | 136.7° |
C32 | C31 | C36 | N35 | 16.3° | 18.1° |
C32 | C31 | C36 | H36 | 136.3° | 137.1° |
C32 | C31 | C36 | H36A | 103.7° | 101.0° |
C36 | C31 | C32 | S33 | 179.4° | 179.6° |
C36 | C31 | C32 | C34 | 0.2° | 0.2° |
C31 | C36 | N35 | C34 | 26.5° | 28.0° |
C31 | C36 | N35 | H36 | 120.0° | 119.1° |
C31 | C36 | N35 | H36A | 120.0° | 119.1° |
C31 | C36 | N35 | C37 | 151.1° | 147.1° |
C31 | C36 | H36 | H36A | 122.2° | 121.9° |
S33 | C32 | C34 | N35 | 163.0° | 162.6° |
S33 | C32 | C34 | H34 | 77.0° | 78.5° |
S33 | C32 | C34 | H34A | 43.0° | 43.6° |
C32 | C34 | N35 | H34 | 120.0° | 118.9° |
C32 | C34 | N35 | H34A | 120.0° | 119.0° |
C32 | C34 | H34 | H34A | 123.2° | 122.0° |
C32 | C34 | N35 | C36 | 25.9° | 27.8° |
C32 | C34 | N35 | C37 | 152.9° | 146.8° |
N35 | C34 | H34 | H34A | 123.2° | 122.1° |
C34 | N35 | C36 | C37 | 124.6° | 119.0° |
C34 | N35 | C36 | H36 | 146.5° | 147.1° |
C34 | N35 | C36 | H36A | 93.5° | 91.0° |
C34 | N35 | C37 | H37 | 180.0° | 60.0° |
C34 | N35 | C37 | H37A | 60.0° | 180.0° |
C34 | N35 | C37 | H37B | 60.0° | 60.0° |
H34 | C34 | N35 | C36 | 94.1° | 91.1° |
H34 | C34 | N35 | C37 | 32.9° | 27.9° |
H34A | C34 | N35 | C36 | 145.9° | 146.8° |
H34A | C34 | N35 | C37 | 87.1° | 94.2° |
N35 | C36 | H36 | H36A | 122.2° | 121.9° |
C36 | N35 | C37 | H37 | 58.2° | 174.3° |
C36 | N35 | C37 | H37A | 61.8° | 65.7° |
C36 | N35 | C37 | H37B | 178.2° | 54.3° |
C37 | N35 | C36 | H36 | 88.9° | 93.9° |
C37 | N35 | C36 | H36A | 31.1° | 28.0° |
N35 | C37 | H37 | H37A | 120.0° | 120.0° |
N35 | C37 | H37 | H37B | 120.0° | 120.0° |
N35 | C37 | H37A | H37B | 120.0° | 119.9° |
H37 | C37 | H37A | H37B | 120.0° | 120.1° |
O3 | C24 | N6 | C25 | 0.0° | 4.2° |
O3 | C24 | N6 | C26 | 180.0° | 175.7° |
C24 | N6 | C25 | C26 | 180.0° | 180.0° |
C24 | N6 | C25 | H24 | 180.0° | 90.0° |
C24 | N6 | C25 | H25 | 60.0° | 150.0° |
C24 | N6 | C25 | H26 | 60.0° | 29.9° |
C24 | N6 | C26 | H27 | 180.0° | 4.9° |
C24 | N6 | C26 | H28 | 60.0° | 124.8° |
C24 | N6 | C26 | H29 | 60.0° | 115.1° |
N6 | C25 | H24 | H25 | 120.0° | 120.1° |
N6 | C25 | H24 | H26 | 120.0° | 119.9° |
N6 | C25 | H25 | H26 | 120.0° | 120.0° |
C25 | N6 | C26 | H27 | 0.0° | 175.1° |
C25 | N6 | C26 | H28 | 120.0° | 55.1° |
C25 | N6 | C26 | H29 | 120.0° | 64.9° |
C26 | N6 | C25 | H24 | 0.0° | 90.1° |
C26 | N6 | C25 | H25 | 120.0° | 30.0° |
C26 | N6 | C25 | H26 | 120.0° | 150.0° |
N6 | C26 | H27 | H28 | 120.0° | 120.0° |
N6 | C26 | H27 | H29 | 120.0° | 120.0° |
N6 | C26 | H28 | H29 | 120.0° | 120.1° |
H24 | C25 | H25 | H26 | 120.0° | 119.9° |
H27 | C26 | H28 | H29 | 120.0° | 120.0° |