314
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F1 | C21 | sing | 1.35Å | 1.33Å | |
F2 | C23 | sing | 1.35Å | 1.33Å | |
C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
C2 | C7 | sing | 1.48Å | 1.47Å | |
C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
C4 | C15 | sing | 1.48Å | 1.47Å | |
C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
C6 | C14 | sing | 1.51Å | 1.47Å | |
C7 | N1 | sing | 1.35Å | 1.37Å | |
C7 | O1 | doub | 1.22Å | 1.23Å | |
N1 | C8 | sing | 1.46Å | 1.46Å | |
N1 | C9 | sing | 1.47Å | 1.46Å | |
C8 | C12 | sing | 1.53Å | 1.55Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C10 | C11 | sing | 1.53Å | 1.53Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C15 | O2 | doub | 1.22Å | 1.22Å | |
C15 | N2 | sing | 1.35Å | 1.36Å | |
N2 | C16 | sing | 1.47Å | 1.47Å | |
C16 | C17 | sing | 1.53Å | 1.55Å | |
C16 | C18 | sing | 1.53Å | 1.54Å | |
C17 | O3 | sing | 1.43Å | 1.44Å | |
C17 | C25 | sing | 1.53Å | 1.53Å | |
C18 | C19 | sing | 1.51Å | 1.52Å | |
C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
C19 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
C25 | C26 | sing | 1.53Å | 1.54Å | |
C25 | N3 | sing | 1.47Å | 1.48Å | |
C26 | C27 | sing | 1.53Å | 1.53Å | |
C27 | C28 | sing | 1.53Å | 1.53Å | |
C27 | C30 | sing | 1.53Å | 1.55Å | |
C28 | C29 | sing | 1.53Å | 1.52Å | |
C29 | N3 | sing | 1.47Å | 1.47Å | |
C30 | C31 | sing | 1.51Å | 1.52Å | |
C31 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
C31 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
C32 | C33 | sing | 1.38Å | 1.43Å | Aromatic |
C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
C34 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
C35 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C11 | H11B | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C13 | H13B | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C14 | H14B | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H28A | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H29A | sing | 1.09Å | 1.10Å | |
N3 | HN3 | sing | 1.01Å | 1.00Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H30A | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.08Å | 1.08Å | |
C33 | H33 | sing | 1.08Å | 1.08Å | |
C34 | H34 | sing | 1.08Å | 1.08Å | |
C35 | H35 | sing | 1.08Å | 1.08Å | |
C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F1 | C21 | C20 | 120.8° | 120.0° |
F1 | C21 | C22 | 118.9° | 120.0° |
F2 | C23 | C22 | 119.3° | 120.0° |
F2 | C23 | C24 | 120.3° | 120.0° |
C2 | C1 | C6 | 120.0° | 120.2° |
C1 | C2 | C3 | 119.8° | 119.8° |
C1 | C2 | C7 | 119.8° | 120.1° |
C2 | C1 | H1 | 120.0° | 119.9° |
C1 | C6 | C5 | 120.3° | 120.3° |
C1 | C6 | C14 | 119.7° | 119.9° |
C6 | C1 | H1 | 120.0° | 119.9° |
C3 | C2 | C7 | 120.3° | 120.1° |
C2 | C3 | C4 | 120.3° | 119.7° |
C2 | C3 | H3 | 119.8° | 120.2° |
C2 | C7 | N1 | 119.0° | 120.0° |
C2 | C7 | O1 | 120.3° | 120.0° |
C3 | C4 | C5 | 119.7° | 119.8° |
C3 | C4 | C15 | 120.2° | 120.0° |
C4 | C3 | H3 | 119.9° | 120.1° |
C5 | C4 | C15 | 120.0° | 120.1° |
C4 | C5 | C6 | 119.9° | 120.2° |
C4 | C5 | H5 | 120.0° | 119.9° |
C4 | C15 | O2 | 122.9° | 120.1° |
C4 | C15 | N2 | 114.6° | 119.9° |
C5 | C6 | C14 | 120.1° | 119.8° |
C6 | C5 | H5 | 120.0° | 119.9° |
C6 | C14 | H14 | 109.5° | 109.5° |
C6 | C14 | H14A | 109.5° | 109.5° |
C6 | C14 | H14B | 109.4° | 109.4° |
N1 | C7 | O1 | 120.7° | 120.0° |
C7 | N1 | C8 | 116.2° | 120.0° |
C7 | N1 | C9 | 124.6° | 120.0° |
C8 | N1 | C9 | 119.2° | 120.0° |
N1 | C8 | C12 | 110.5° | 109.5° |
N1 | C8 | H8 | 109.1° | 109.5° |
N1 | C8 | H8A | 108.9° | 109.5° |
N1 | C9 | C10 | 109.7° | 109.5° |
N1 | C9 | H9 | 109.4° | 109.5° |
N1 | C9 | H9A | 109.3° | 109.4° |
C8 | C12 | C13 | 113.9° | 109.5° |
C12 | C8 | H8 | 109.1° | 109.4° |
C12 | C8 | H8A | 108.9° | 109.5° |
C8 | C12 | H12 | 108.0° | 109.5° |
C8 | C12 | H12A | 107.0° | 109.5° |
C9 | C10 | C11 | 112.3° | 109.5° |
C10 | C9 | H9 | 109.4° | 109.5° |
C10 | C9 | H9A | 109.4° | 109.5° |
C9 | C10 | H10 | 108.5° | 109.4° |
C9 | C10 | H10A | 107.9° | 109.5° |
C11 | C10 | H10 | 108.5° | 109.5° |
C11 | C10 | H10A | 107.9° | 109.5° |
C10 | C11 | H11 | 109.5° | 109.4° |
C10 | C11 | H11A | 109.5° | 109.5° |
C10 | C11 | H11B | 109.5° | 109.5° |
C13 | C12 | H12 | 108.1° | 109.5° |
C13 | C12 | H12A | 107.0° | 109.4° |
C12 | C13 | H13 | 109.5° | 109.4° |
C12 | C13 | H13A | 109.5° | 109.4° |
C12 | C13 | H13B | 109.5° | 109.5° |
O2 | C15 | N2 | 122.5° | 120.0° |
C15 | N2 | C16 | 119.7° | 120.0° |
C15 | N2 | HN2 | 120.1° | 120.1° |
N2 | C16 | C17 | 113.5° | 109.5° |
N2 | C16 | C18 | 109.1° | 109.5° |
C16 | N2 | HN2 | 120.1° | 120.0° |
N2 | C16 | H16 | 107.3° | 109.5° |
C17 | C16 | C18 | 110.2° | 109.4° |
C16 | C17 | O3 | 109.1° | 109.5° |
C16 | C17 | C25 | 113.5° | 109.5° |
C17 | C16 | H16 | 106.0° | 109.5° |
C16 | C17 | H17 | 106.4° | 109.5° |
C16 | C18 | C19 | 110.5° | 109.4° |
C18 | C16 | H16 | 110.7° | 109.5° |
C16 | C18 | H18 | 109.1° | 109.5° |
C16 | C18 | H18A | 108.9° | 109.5° |
O3 | C17 | C25 | 107.8° | 109.5° |
O3 | C17 | H17 | 112.3° | 109.4° |
C17 | O3 | HO3 | 109.5° | 114.0° |
C17 | C25 | C26 | 111.8° | 109.5° |
C17 | C25 | N3 | 107.3° | 109.4° |
C25 | C17 | H17 | 107.8° | 109.5° |
C17 | C25 | H25 | 109.7° | 109.4° |
C18 | C19 | C20 | 120.2° | 120.0° |
C18 | C19 | C24 | 120.2° | 120.0° |
C19 | C18 | H18 | 109.2° | 109.4° |
C19 | C18 | H18A | 108.9° | 109.4° |
C20 | C19 | C24 | 119.6° | 120.1° |
C19 | C20 | C21 | 119.8° | 120.0° |
C19 | C20 | H20 | 120.1° | 120.0° |
C19 | C24 | C23 | 120.0° | 120.0° |
C19 | C24 | H24 | 120.0° | 120.0° |
C20 | C21 | C22 | 120.3° | 120.0° |
C21 | C20 | H20 | 120.1° | 120.0° |
C21 | C22 | C23 | 119.9° | 119.9° |
C21 | C22 | H22 | 120.1° | 120.1° |
C22 | C23 | C24 | 120.4° | 120.0° |
C23 | C22 | H22 | 120.1° | 120.0° |
C23 | C24 | H24 | 120.0° | 119.9° |
C26 | C25 | N3 | 110.5° | 109.5° |
C25 | C26 | C27 | 111.8° | 109.3° |
C26 | C25 | H25 | 106.4° | 109.5° |
C25 | C26 | H26 | 108.7° | 109.5° |
C25 | C26 | H26A | 108.2° | 109.6° |
C25 | N3 | C29 | 111.2° | 111.1° |
N3 | C25 | H25 | 111.0° | 109.5° |
C25 | N3 | HN3 | 108.9° | 111.0° |
C26 | C27 | C28 | 111.5° | 109.2° |
C26 | C27 | C30 | 112.6° | 109.5° |
C27 | C26 | H26 | 108.7° | 109.4° |
C27 | C26 | H26A | 108.2° | 109.5° |
C26 | C27 | H27 | 107.4° | 109.6° |
C28 | C27 | C30 | 113.6° | 109.5° |
C27 | C28 | C29 | 112.3° | 109.3° |
C28 | C27 | H27 | 106.3° | 109.5° |
C27 | C28 | H28 | 108.5° | 109.5° |
C27 | C28 | H28A | 107.9° | 109.5° |
C27 | C30 | C31 | 111.2° | 109.5° |
C30 | C27 | H27 | 104.9° | 109.6° |
C27 | C30 | H30 | 108.9° | 109.5° |
C27 | C30 | H30A | 108.5° | 109.5° |
C28 | C29 | N3 | 108.3° | 109.5° |
C29 | C28 | H28 | 108.5° | 109.5° |
C29 | C28 | H28A | 107.9° | 109.5° |
C28 | C29 | H29 | 109.9° | 109.4° |
C28 | C29 | H29A | 110.1° | 109.5° |
N3 | C29 | H29 | 109.8° | 109.5° |
N3 | C29 | H29A | 110.1° | 109.4° |
C29 | N3 | HN3 | 108.9° | 111.0° |
C30 | C31 | C32 | 120.0° | 120.0° |
C30 | C31 | C36 | 120.1° | 120.0° |
C31 | C30 | H30 | 108.9° | 109.4° |
C31 | C30 | H30A | 108.5° | 109.5° |
C32 | C31 | C36 | 119.9° | 120.0° |
C31 | C32 | C33 | 120.2° | 120.0° |
C31 | C32 | H32 | 119.9° | 120.0° |
C31 | C36 | C35 | 119.9° | 120.0° |
C31 | C36 | H36 | 120.0° | 120.0° |
C32 | C33 | C34 | 119.8° | 120.0° |
C33 | C32 | H32 | 119.9° | 120.0° |
C32 | C33 | H33 | 120.1° | 120.0° |
C33 | C34 | C35 | 119.9° | 120.0° |
C34 | C33 | H33 | 120.1° | 120.0° |
C33 | C34 | H34 | 120.1° | 120.0° |
C34 | C35 | C36 | 120.4° | 120.0° |
C35 | C34 | H34 | 120.1° | 120.0° |
C34 | C35 | H35 | 119.8° | 120.0° |
C36 | C35 | H35 | 119.8° | 120.0° |
C35 | C36 | H36 | 120.0° | 120.0° |
H8 | C8 | H8A | 110.2° | 109.4° |
H9 | C9 | H9A | 109.7° | 109.5° |
H10 | C10 | H10A | 111.7° | 109.4° |
H11 | C11 | H11A | 109.4° | 109.5° |
H11 | C11 | H11B | 109.4° | 109.5° |
H11A | C11 | H11B | 109.5° | 109.5° |
H12 | C12 | H12A | 113.0° | 109.5° |
H13 | C13 | H13A | 109.4° | 109.5° |
H13 | C13 | H13B | 109.4° | 109.5° |
H13A | C13 | H13B | 109.5° | 109.5° |
H14 | C14 | H14A | 109.4° | 109.5° |
H14 | C14 | H14B | 109.5° | 109.4° |
H14A | C14 | H14B | 109.5° | 109.5° |
H18 | C18 | H18A | 110.2° | 109.5° |
H26 | C26 | H26A | 111.4° | 109.5° |
H28 | C28 | H28A | 111.7° | 109.5° |
H29 | C29 | H29A | 108.6° | 109.5° |
H30 | C30 | H30A | 110.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F1 | C21 | C20 | C19 | 180.0° | 180.0° |
F1 | C21 | C20 | C22 | 179.9° | 180.0° |
F1 | C21 | C22 | C23 | 179.9° | 179.9° |
F1 | C21 | C20 | H20 | 0.1° | 0.1° |
F1 | C21 | C22 | H22 | 0.1° | 0.0° |
F2 | C23 | C24 | C19 | 179.9° | 179.7° |
F2 | C23 | C22 | C21 | 179.9° | 180.0° |
F2 | C23 | C22 | C24 | 180.0° | 179.7° |
F2 | C23 | C22 | H22 | 0.1° | 0.1° |
F2 | C23 | C24 | H24 | 0.2° | 0.0° |
C2 | C1 | C6 | H1 | 180.0° | 179.7° |
C1 | C2 | C3 | C7 | 178.2° | 180.0° |
C1 | C2 | C3 | C4 | 0.5° | 0.0° |
C2 | C1 | C6 | C5 | 0.2° | 0.0° |
C2 | C1 | C6 | C14 | 179.7° | 180.0° |
C1 | C2 | C7 | N1 | 122.3° | 45.7° |
C1 | C2 | C7 | O1 | 58.5° | 134.3° |
C1 | C2 | C3 | H3 | 179.5° | 180.0° |
C6 | C1 | C2 | C3 | 0.5° | 0.0° |
C6 | C1 | C2 | C7 | 178.7° | 180.0° |
C1 | C6 | C5 | C4 | 0.2° | 0.0° |
C1 | C6 | C5 | C14 | 179.9° | 180.0° |
C1 | C6 | C5 | H5 | 179.8° | 180.0° |
C1 | C6 | C14 | H14 | 97.3° | 89.9° |
C1 | C6 | C14 | H14A | 22.7° | 150.0° |
C1 | C6 | C14 | H14B | 142.7° | 30.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.2° | 0.0° |
C2 | C3 | C4 | C15 | 179.2° | 180.0° |
C3 | C2 | C7 | N1 | 59.5° | 134.3° |
C3 | C2 | C7 | O1 | 119.7° | 45.7° |
C3 | C2 | C1 | H1 | 179.4° | 179.8° |
C7 | C2 | C3 | C4 | 178.7° | 180.0° |
C2 | C7 | N1 | O1 | 179.2° | 180.0° |
C2 | C7 | N1 | C8 | 179.2° | 174.1° |
C2 | C7 | N1 | C9 | 1.2° | 5.9° |
C7 | C2 | C1 | H1 | 1.3° | 0.3° |
C7 | C2 | C3 | H3 | 1.3° | 0.0° |
C3 | C4 | C5 | C15 | 179.4° | 179.9° |
C3 | C4 | C5 | C6 | 0.2° | 0.0° |
C3 | C4 | C15 | O2 | 151.6° | 0.0° |
C3 | C4 | C15 | N2 | 28.3° | 180.0° |
C3 | C4 | C5 | H5 | 179.8° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C14 | 179.9° | 180.0° |
C5 | C4 | C15 | O2 | 27.8° | 179.9° |
C5 | C4 | C15 | N2 | 152.3° | 0.1° |
C5 | C4 | C3 | H3 | 179.8° | 180.0° |
C15 | C4 | C5 | C6 | 179.6° | 180.0° |
C4 | C15 | O2 | N2 | 179.9° | 180.0° |
C4 | C15 | N2 | C16 | 178.9° | 180.0° |
C15 | C4 | C3 | H3 | 0.8° | 0.0° |
C15 | C4 | C5 | H5 | 0.4° | 0.0° |
C4 | C15 | N2 | HN2 | 1.1° | 0.0° |
C5 | C6 | C1 | H1 | 179.8° | 179.8° |
C5 | C6 | C14 | H14 | 82.8° | 90.1° |
C5 | C6 | C14 | H14A | 157.2° | 30.0° |
C5 | C6 | C14 | H14B | 37.2° | 150.0° |
C14 | C6 | C1 | H1 | 0.3° | 0.3° |
C14 | C6 | C5 | H5 | 0.1° | 0.0° |
C6 | C14 | H14 | H14A | 120.0° | 120.1° |
C6 | C14 | H14 | H14B | 120.0° | 119.9° |
C6 | C14 | H14A | H14B | 120.0° | 119.9° |
C7 | N1 | C8 | C9 | 179.6° | 179.9° |
C7 | N1 | C8 | C12 | 110.4° | 90.0° |
C7 | N1 | C9 | C10 | 118.7° | 98.1° |
C7 | N1 | C8 | H8 | 129.6° | 150.0° |
C7 | N1 | C8 | H8A | 9.2° | 30.0° |
C7 | N1 | C9 | H9 | 121.3° | 141.9° |
C7 | N1 | C9 | H9A | 1.2° | 21.9° |
O1 | C7 | N1 | C8 | 0.0° | 5.8° |
O1 | C7 | N1 | C9 | 179.6° | 174.1° |
N1 | C8 | C12 | H8 | 120.0° | 120.1° |
N1 | C8 | C12 | H8A | 119.6° | 120.0° |
C8 | N1 | C9 | C10 | 60.9° | 81.8° |
N1 | C8 | C12 | C13 | 47.4° | 180.0° |
N1 | C8 | H8 | H8A | 119.6° | 120.0° |
C8 | N1 | C9 | H9 | 59.1° | 38.2° |
C8 | N1 | C9 | H9A | 179.2° | 158.1° |
N1 | C8 | C12 | H12 | 72.6° | 59.9° |
N1 | C8 | C12 | H12A | 165.5° | 60.1° |
C9 | N1 | C8 | C12 | 69.9° | 90.1° |
N1 | C9 | C10 | H9 | 120.0° | 120.0° |
N1 | C9 | C10 | H9A | 119.9° | 120.0° |
N1 | C9 | C10 | C11 | 45.2° | 174.5° |
C9 | N1 | C8 | H8 | 50.1° | 29.9° |
C9 | N1 | C8 | H8A | 170.5° | 149.9° |
N1 | C9 | H9 | H9A | 119.9° | 119.9° |
N1 | C9 | C10 | H10 | 74.8° | 54.5° |
N1 | C9 | C10 | H10A | 164.0° | 65.4° |
C8 | C12 | C13 | H12 | 120.0° | 120.1° |
C8 | C12 | C13 | H12A | 118.1° | 120.0° |
C12 | C8 | H8 | H8A | 119.6° | 119.9° |
C8 | C12 | H12 | H12A | 118.2° | 120.0° |
C8 | C12 | C13 | H13 | 165.5° | 60.0° |
C8 | C12 | C13 | H13A | 74.5° | 180.0° |
C8 | C12 | C13 | H13B | 45.5° | 60.0° |
C9 | C10 | C11 | H10 | 120.0° | 119.9° |
C9 | C10 | C11 | H10A | 118.8° | 120.1° |
C10 | C9 | H9 | H9A | 119.9° | 120.0° |
C9 | C10 | H10 | H10A | 118.9° | 120.0° |
C9 | C10 | C11 | H11 | 12.9° | 60.0° |
C9 | C10 | C11 | H11A | 132.9° | 60.0° |
C9 | C10 | C11 | H11B | 107.1° | 180.0° |
C11 | C10 | C9 | H9 | 165.2° | 65.5° |
C11 | C10 | C9 | H9A | 74.7° | 54.6° |
C11 | C10 | H10 | H10A | 118.8° | 120.0° |
C10 | C11 | H11 | H11A | 120.0° | 120.1° |
C10 | C11 | H11 | H11B | 120.0° | 119.9° |
C10 | C11 | H11A | H11B | 120.0° | 120.0° |
C13 | C12 | C8 | H8 | 167.4° | 59.9° |
C13 | C12 | C8 | H8A | 72.2° | 60.0° |
C13 | C12 | H12 | H12A | 118.2° | 119.9° |
C12 | C13 | H13 | H13A | 120.0° | 120.0° |
C12 | C13 | H13 | H13B | 120.0° | 120.0° |
C12 | C13 | H13A | H13B | 120.0° | 120.0° |
O2 | C15 | N2 | C16 | 1.0° | 0.0° |
O2 | C15 | N2 | HN2 | 179.0° | 180.0° |
C15 | N2 | C16 | HN2 | 180.0° | 180.0° |
C15 | N2 | C16 | C17 | 102.2° | 155.0° |
C15 | N2 | C16 | C18 | 134.5° | 85.0° |
C15 | N2 | C16 | H16 | 14.6° | 35.0° |
N2 | C16 | C17 | C18 | 122.7° | 120.0° |
N2 | C16 | C17 | H16 | 117.5° | 120.0° |
N2 | C16 | C18 | H16 | 117.8° | 120.0° |
N2 | C16 | C17 | O3 | 171.7° | 65.0° |
N2 | C16 | C17 | C25 | 68.2° | 175.0° |
N2 | C16 | C18 | C19 | 47.7° | 65.0° |
N2 | C16 | C17 | H17 | 50.2° | 55.0° |
N2 | C16 | C18 | H18 | 72.3° | 54.9° |
N2 | C16 | C18 | H18A | 167.3° | 175.0° |
C17 | C16 | C18 | H16 | 117.0° | 120.0° |
C16 | C17 | O3 | C25 | 123.6° | 120.0° |
C16 | C17 | O3 | H17 | 117.8° | 120.0° |
C16 | C17 | C25 | H17 | 117.6° | 120.0° |
C17 | C16 | C18 | C19 | 172.9° | 175.0° |
C16 | C17 | C25 | C26 | 65.4° | 180.0° |
C16 | C17 | C25 | N3 | 173.2° | 60.0° |
C17 | C16 | N2 | HN2 | 77.8° | 25.0° |
C16 | C17 | O3 | HO3 | 10.4° | 60.0° |
C17 | C16 | C18 | H18 | 52.9° | 65.0° |
C17 | C16 | C18 | H18A | 67.5° | 55.0° |
C16 | C17 | C25 | H25 | 52.5° | 60.0° |
C18 | C16 | C17 | O3 | 49.0° | 55.0° |
C18 | C16 | C17 | C25 | 169.2° | 65.0° |
C16 | C18 | C19 | H18 | 120.0° | 120.0° |
C16 | C18 | C19 | H18A | 119.6° | 120.0° |
C16 | C18 | C19 | C20 | 122.0° | 90.0° |
C16 | C18 | C19 | C24 | 58.1° | 90.3° |
C18 | C16 | N2 | HN2 | 45.5° | 95.0° |
C18 | C16 | C17 | H17 | 72.4° | 174.9° |
C16 | C18 | H18 | H18A | 119.6° | 120.1° |
O3 | C17 | C25 | H17 | 121.5° | 120.0° |
O3 | C17 | C25 | C26 | 55.5° | 60.0° |
O3 | C17 | C25 | N3 | 65.9° | 180.0° |
O3 | C17 | C16 | H16 | 70.8° | 175.0° |
O3 | C17 | C25 | H25 | 173.4° | 60.0° |
C17 | C25 | C26 | N3 | 119.6° | 120.0° |
C17 | C25 | C26 | H25 | 119.8° | 120.0° |
C17 | C25 | N3 | H25 | 119.9° | 119.9° |
C17 | C25 | C26 | C27 | 171.7° | 179.2° |
C17 | C25 | N3 | C29 | 176.4° | 178.2° |
C25 | C17 | C16 | H16 | 49.3° | 55.0° |
C25 | C17 | O3 | HO3 | 113.2° | 60.0° |
C17 | C25 | C26 | H26 | 68.3° | 60.9° |
C17 | C25 | C26 | H26A | 52.7° | 59.3° |
C17 | C25 | N3 | HN3 | 63.6° | 57.7° |
C18 | C19 | C20 | C24 | 179.9° | 179.8° |
C18 | C19 | C20 | C21 | 179.9° | 180.0° |
C18 | C19 | C24 | C23 | 180.0° | 179.7° |
C19 | C18 | C16 | H16 | 70.1° | 55.0° |
C19 | C18 | H18 | H18A | 119.6° | 120.0° |
C18 | C19 | C20 | H20 | 0.1° | 0.1° |
C18 | C19 | C24 | H24 | 0.0° | 0.1° |
C19 | C20 | C21 | H20 | 180.0° | 179.9° |
C19 | C20 | C21 | C22 | 0.1° | 0.0° |
C20 | C19 | C24 | C23 | 0.0° | 0.6° |
C20 | C19 | C18 | H18 | 2.0° | 30.0° |
C20 | C19 | C18 | H18A | 118.4° | 150.0° |
C20 | C19 | C24 | H24 | 179.9° | 179.7° |
C24 | C19 | C20 | C21 | 0.0° | 0.2° |
C19 | C24 | C23 | C22 | 0.1° | 0.6° |
C19 | C24 | C23 | H24 | 180.0° | 179.7° |
C24 | C19 | C18 | H18 | 178.0° | 149.7° |
C24 | C19 | C18 | H18A | 61.5° | 29.7° |
C24 | C19 | C20 | H20 | 180.0° | 179.7° |
C20 | C21 | C22 | C23 | 0.0° | 0.0° |
C20 | C21 | C22 | H22 | 180.0° | 179.9° |
C21 | C22 | C23 | H22 | 180.0° | 179.9° |
C21 | C22 | C23 | C24 | 0.1° | 0.3° |
C22 | C21 | C20 | H20 | 179.9° | 180.0° |
C22 | C23 | C24 | H24 | 179.9° | 179.7° |
C24 | C23 | C22 | H22 | 179.9° | 179.7° |
C26 | C25 | N3 | H25 | 117.9° | 120.1° |
C25 | C26 | C27 | H26 | 120.0° | 119.9° |
C25 | C26 | C27 | H26A | 119.0° | 120.0° |
C25 | C26 | C27 | C28 | 47.2° | 57.7° |
C25 | C26 | C27 | C30 | 176.3° | 177.6° |
C26 | C25 | N3 | C29 | 61.4° | 61.8° |
C26 | C25 | C17 | H17 | 176.9° | 60.0° |
C25 | C26 | H26 | H26A | 119.0° | 120.2° |
C25 | C26 | C27 | H27 | 68.8° | 62.2° |
C26 | C25 | N3 | HN3 | 58.6° | 62.3° |
N3 | C25 | C26 | C27 | 52.2° | 59.3° |
C25 | N3 | C29 | C28 | 63.9° | 61.8° |
C25 | N3 | C29 | HN3 | 120.0° | 124.1° |
N3 | C25 | C17 | H17 | 55.5° | 60.1° |
N3 | C25 | C26 | H26 | 172.2° | 179.1° |
N3 | C25 | C26 | H26A | 66.8° | 60.7° |
C25 | N3 | C29 | H29 | 56.1° | 58.2° |
C25 | N3 | C29 | H29A | 175.6° | 178.3° |
C26 | C27 | C28 | C30 | 128.6° | 119.9° |
C26 | C27 | C28 | H27 | 116.7° | 119.9° |
C26 | C27 | C30 | H27 | 116.4° | 120.2° |
C26 | C27 | C28 | C29 | 51.1° | 57.7° |
C26 | C27 | C30 | C31 | 72.2° | 175.0° |
C27 | C26 | C25 | H25 | 68.5° | 60.8° |
C27 | C26 | H26 | H26A | 119.1° | 120.0° |
C26 | C27 | C28 | H28 | 171.1° | 177.6° |
C26 | C27 | C28 | H28A | 67.7° | 62.3° |
C26 | C27 | C30 | H30 | 167.8° | 55.0° |
C26 | C27 | C30 | H30A | 47.1° | 65.0° |
C28 | C27 | C30 | H27 | 115.6° | 120.1° |
C27 | C28 | C29 | H28 | 120.0° | 120.0° |
C27 | C28 | C29 | H28A | 118.8° | 120.0° |
C27 | C28 | C29 | N3 | 58.5° | 59.2° |
C28 | C27 | C30 | C31 | 55.8° | 65.3° |
C28 | C27 | C26 | H26 | 167.1° | 177.6° |
C28 | C27 | C26 | H26A | 71.8° | 62.3° |
C27 | C28 | H28 | H28A | 118.8° | 120.1° |
C27 | C28 | C29 | H29 | 61.5° | 60.8° |
C27 | C28 | C29 | H29A | 179.0° | 179.2° |
C28 | C27 | C30 | H30 | 64.2° | 174.7° |
C28 | C27 | C30 | H30A | 175.1° | 54.7° |
C30 | C27 | C28 | C29 | 179.6° | 177.6° |
C27 | C30 | C31 | H30 | 120.0° | 120.0° |
C27 | C30 | C31 | H30A | 119.3° | 120.0° |
C27 | C30 | C31 | C32 | 91.6° | 90.0° |
C27 | C30 | C31 | C36 | 88.5° | 90.3° |
C30 | C27 | C26 | H26 | 63.8° | 62.5° |
C30 | C27 | C26 | H26A | 57.3° | 57.6° |
C30 | C27 | C28 | H28 | 60.4° | 62.5° |
C30 | C27 | C28 | H28A | 60.8° | 57.6° |
C27 | C30 | H30 | H30A | 119.3° | 120.0° |
C28 | C29 | N3 | H29 | 120.0° | 120.0° |
C28 | C29 | N3 | H29A | 120.4° | 120.0° |
C29 | C28 | C27 | H27 | 65.6° | 62.3° |
C29 | C28 | H28 | H28A | 118.8° | 120.1° |
C28 | C29 | H29 | H29A | 120.5° | 120.0° |
C28 | C29 | N3 | HN3 | 56.1° | 62.3° |
C29 | N3 | C25 | H25 | 56.5° | 58.3° |
N3 | C29 | C28 | H28 | 178.5° | 179.2° |
N3 | C29 | C28 | H28A | 60.3° | 60.8° |
N3 | C29 | H29 | H29A | 120.5° | 120.0° |
C30 | C31 | C32 | C36 | 179.9° | 179.7° |
C30 | C31 | C32 | C33 | 180.0° | 180.0° |
C30 | C31 | C36 | C35 | 180.0° | 179.8° |
C31 | C30 | C27 | H27 | 171.4° | 54.8° |
C31 | C30 | H30 | H30A | 119.3° | 120.0° |
C30 | C31 | C32 | H32 | 0.0° | 0.0° |
C30 | C31 | C36 | H36 | 0.0° | 0.0° |
C31 | C32 | C33 | H32 | 180.0° | 179.9° |
C31 | C32 | C33 | C34 | 0.0° | 0.0° |
C32 | C31 | C36 | C35 | 0.1° | 0.5° |
C32 | C31 | C30 | H30 | 28.4° | 30.0° |
C32 | C31 | C30 | H30A | 149.1° | 150.0° |
C31 | C32 | C33 | H33 | 180.0° | 179.9° |
C32 | C31 | C36 | H36 | 179.9° | 179.7° |
C36 | C31 | C32 | C33 | 0.1° | 0.3° |
C31 | C36 | C35 | C34 | 0.1° | 0.5° |
C31 | C36 | C35 | H36 | 180.0° | 179.7° |
C36 | C31 | C30 | H30 | 151.5° | 149.7° |
C36 | C31 | C30 | H30A | 30.8° | 29.7° |
C36 | C31 | C32 | H32 | 179.9° | 179.7° |
C31 | C36 | C35 | H35 | 180.0° | 179.7° |
C32 | C33 | C34 | H33 | 180.0° | 179.9° |
C32 | C33 | C34 | C35 | 0.1° | 0.0° |
C32 | C33 | C34 | H34 | 179.9° | 179.9° |
C33 | C34 | C35 | H34 | 180.0° | 179.9° |
C33 | C34 | C35 | C36 | 0.0° | 0.3° |
C34 | C33 | C32 | H32 | 180.0° | 179.9° |
C33 | C34 | C35 | H35 | 179.9° | 180.0° |
C34 | C35 | C36 | H35 | 180.0° | 179.8° |
C35 | C34 | C33 | H33 | 179.9° | 179.9° |
C34 | C35 | C36 | H36 | 179.9° | 179.7° |
C36 | C35 | C34 | H34 | 180.0° | 179.8° |
H8 | C8 | C12 | H12 | 47.4° | 180.0° |
H8 | C8 | C12 | H12A | 74.6° | 60.0° |
H8A | C8 | C12 | H12 | 167.8° | 60.1° |
H8A | C8 | C12 | H12A | 45.9° | 179.9° |
H9 | C9 | C10 | H10 | 45.2° | 174.6° |
H9 | C9 | C10 | H10A | 76.0° | 54.6° |
H9A | C9 | C10 | H10 | 165.4° | 65.4° |
H9A | C9 | C10 | H10A | 44.1° | 174.6° |
H10 | C10 | C11 | H11 | 107.1° | 180.0° |
H10 | C10 | C11 | H11A | 12.9° | 59.9° |
H10 | C10 | C11 | H11B | 132.9° | 60.1° |
H10A | C10 | C11 | H11 | 131.7° | 60.0° |
H10A | C10 | C11 | H11A | 108.3° | 179.9° |
H10A | C10 | C11 | H11B | 11.7° | 59.9° |
H11 | C11 | H11A | H11B | 120.0° | 120.0° |
H12 | C12 | C13 | H13 | 45.5° | 60.0° |
H12 | C12 | C13 | H13A | 165.5° | 60.0° |
H12 | C12 | C13 | H13B | 74.5° | 180.0° |
H12A | C12 | C13 | H13 | 76.5° | 180.0° |
H12A | C12 | C13 | H13A | 43.5° | 60.0° |
H12A | C12 | C13 | H13B | 163.5° | 60.0° |
H13 | C13 | H13A | H13B | 120.0° | 120.0° |
H14 | C14 | H14A | H14B | 120.0° | 120.0° |
HN2 | N2 | C16 | H16 | 165.4° | 145.0° |
H16 | C16 | C17 | H17 | 167.7° | 65.0° |
H16 | C16 | C18 | H18 | 169.9° | 175.0° |
H16 | C16 | C18 | H18A | 49.5° | 64.9° |
H17 | C17 | O3 | HO3 | 128.2° | 180.0° |
H17 | C17 | C25 | H25 | 65.2° | 180.0° |
H25 | C25 | C26 | H26 | 51.5° | 59.1° |
H25 | C25 | C26 | H26A | 172.5° | 179.2° |
H25 | C25 | N3 | HN3 | 176.5° | 177.7° |
H26 | C26 | C27 | H27 | 51.2° | 57.7° |
H26A | C26 | C27 | H27 | 172.2° | 177.8° |
H27 | C27 | C28 | H28 | 54.4° | 57.7° |
H27 | C27 | C28 | H28A | 175.6° | 177.8° |
H27 | C27 | C30 | H30 | 51.4° | 65.2° |
H27 | C27 | C30 | H30A | 69.3° | 174.8° |
H28 | C28 | C29 | H29 | 58.5° | 59.1° |
H28 | C28 | C29 | H29A | 61.0° | 60.9° |
H28A | C28 | C29 | H29 | 179.7° | 179.2° |
H28A | C28 | C29 | H29A | 60.2° | 59.2° |
H29 | C29 | N3 | HN3 | 176.1° | 177.7° |
H29A | C29 | N3 | HN3 | 64.4° | 57.7° |
H32 | C32 | C33 | H33 | 0.0° | 0.1° |
H33 | C33 | C34 | H34 | 0.0° | 0.0° |
H34 | C34 | C35 | H35 | 0.1° | 0.1° |
H35 | C35 | C36 | H36 | 0.0° | 0.0° |