316
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| 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 | 1.46Å | |
| 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 | 1.47Å | 1.46Å | |
| N1 | C9 | sing | 1.46Å | 1.46Å | |
| C8 | C12 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| 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 | 1.56Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | O3 | sing | 1.43Å | 1.43Å | |
| C17 | C25 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | F1 | sing | 1.35Å | 1.33Å | |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| C23 | F2 | sing | 1.35Å | 1.33Å | |
| C25 | C26 | sing | 1.50Å | 1.55Å | |
| C25 | N3 | sing | 1.47Å | 1.45Å | |
| C26 | N4 | sing | 1.34Å | 1.36Å | |
| C26 | O4 | doub | 1.21Å | 1.22Å | |
| N4 | C28 | sing | 1.46Å | 1.47Å | |
| N4 | C27 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C29 | N3 | sing | 1.47Å | 1.45Å | |
| C27 | C31 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.43Å | 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 | |
| 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 | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | 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) |
| C2 | C1 | C6 | 120.3° | 120.2° |
| C1 | C2 | C3 | 119.7° | 119.8° |
| C1 | C2 | C7 | 119.7° | 120.1° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C6 | C5 | 120.0° | 120.2° |
| C1 | C6 | C14 | 119.8° | 119.9° |
| C6 | C1 | H1 | 119.9° | 119.9° |
| C3 | C2 | C7 | 120.5° | 120.1° |
| C2 | C3 | C4 | 120.1° | 119.7° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| C2 | C7 | N1 | 118.4° | 120.0° |
| C2 | C7 | O1 | 121.0° | 120.0° |
| C3 | C4 | C5 | 119.9° | 119.8° |
| C3 | C4 | C15 | 120.1° | 120.1° |
| C4 | C3 | H3 | 119.9° | 120.2° |
| C5 | C4 | C15 | 120.0° | 120.1° |
| C4 | C5 | C6 | 119.9° | 120.2° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C4 | C15 | O2 | 122.4° | 120.0° |
| C4 | C15 | N2 | 115.2° | 120.0° |
| C5 | C6 | C14 | 120.2° | 119.9° |
| C6 | C5 | H5 | 120.1° | 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 | 120.6° | 120.0° |
| C7 | N1 | C8 | 116.8° | 120.0° |
| C7 | N1 | C9 | 124.3° | 120.0° |
| C8 | N1 | C9 | 118.8° | 120.0° |
| N1 | C8 | C12 | 110.9° | 109.5° |
| N1 | C8 | H8 | 109.0° | 109.5° |
| N1 | C8 | H8A | 108.7° | 109.5° |
| N1 | C9 | C10 | 109.6° | 109.4° |
| N1 | C9 | H9 | 109.4° | 109.5° |
| N1 | C9 | H9A | 109.4° | 109.5° |
| C8 | C12 | C13 | 113.5° | 109.5° |
| C12 | C8 | H8 | 109.0° | 109.5° |
| C12 | C8 | H8A | 108.6° | 109.5° |
| C8 | C12 | H12 | 108.2° | 109.5° |
| C8 | C12 | H12A | 107.2° | 109.5° |
| C9 | C10 | C11 | 112.0° | 109.5° |
| C10 | C9 | H9 | 109.4° | 109.4° |
| C10 | C9 | H9A | 109.4° | 109.5° |
| C9 | C10 | H10 | 108.6° | 109.5° |
| C9 | C10 | H10A | 108.0° | 109.5° |
| C11 | C10 | H10 | 108.7° | 109.4° |
| C11 | C10 | H10A | 108.1° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.4° |
| C10 | C11 | H11B | 109.4° | 109.5° |
| C13 | C12 | H12 | 108.2° | 109.5° |
| C13 | C12 | H12A | 107.3° | 109.4° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.5° | 109.5° |
| O2 | C15 | N2 | 122.4° | 120.1° |
| C15 | N2 | C16 | 119.1° | 120.0° |
| C15 | N2 | HN2 | 120.5° | 120.0° |
| N2 | C16 | C17 | 113.4° | 109.5° |
| N2 | C16 | C18 | 109.5° | 109.4° |
| C16 | N2 | HN2 | 120.5° | 120.1° |
| N2 | C16 | H16 | 106.7° | 109.4° |
| C17 | C16 | C18 | 109.1° | 109.5° |
| C16 | C17 | O3 | 109.2° | 109.5° |
| C16 | C17 | C25 | 114.7° | 109.5° |
| C17 | C16 | H16 | 107.0° | 109.5° |
| C16 | C17 | H17 | 105.6° | 109.4° |
| C16 | C18 | C19 | 111.6° | 109.5° |
| C18 | C16 | H16 | 111.1° | 109.5° |
| C16 | C18 | H18 | 108.8° | 109.5° |
| C16 | C18 | H18A | 108.3° | 109.5° |
| O3 | C17 | C25 | 108.0° | 109.6° |
| O3 | C17 | H17 | 112.6° | 109.5° |
| C17 | O3 | HO3 | 109.5° | 113.9° |
| C17 | C25 | C26 | 112.0° | 109.4° |
| C17 | C25 | N3 | 108.2° | 109.4° |
| C25 | C17 | H17 | 106.8° | 109.5° |
| C17 | C25 | H25 | 110.1° | 109.3° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C18 | C19 | C24 | 120.0° | 120.0° |
| C19 | C18 | H18 | 108.7° | 109.5° |
| C19 | C18 | H18A | 108.3° | 109.4° |
| C20 | C19 | C24 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C19 | C24 | C23 | 119.8° | 120.0° |
| C19 | C24 | H24 | 120.1° | 119.9° |
| C20 | C21 | C22 | 120.3° | 120.0° |
| C20 | C21 | F1 | 120.4° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C22 | C21 | F1 | 119.3° | 120.0° |
| C21 | C22 | C23 | 120.1° | 119.9° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | F2 | 119.4° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C24 | C23 | F2 | 120.4° | 120.0° |
| C23 | C24 | H24 | 120.1° | 120.0° |
| C26 | C25 | N3 | 113.5° | 110.0° |
| C25 | C26 | N4 | 116.4° | 122.8° |
| C25 | C26 | O4 | 120.5° | 118.6° |
| C26 | C25 | H25 | 104.4° | 109.4° |
| C25 | N3 | C29 | 118.1° | 110.2° |
| N3 | C25 | H25 | 108.6° | 109.3° |
| C25 | N3 | HN3 | 106.7° | 110.9° |
| N4 | C26 | O4 | 123.1° | 118.7° |
| C26 | N4 | C28 | 126.6° | 122.9° |
| C26 | N4 | C27 | 118.6° | 118.5° |
| C28 | N4 | C27 | 114.8° | 118.5° |
| N4 | C28 | C29 | 113.5° | 110.1° |
| N4 | C28 | H28 | 108.2° | 109.4° |
| N4 | C28 | H28A | 107.3° | 109.3° |
| N4 | C27 | C31 | 110.6° | 109.5° |
| N4 | C27 | H27 | 109.1° | 109.4° |
| N4 | C27 | H27A | 108.9° | 109.5° |
| C28 | C29 | N3 | 110.0° | 108.7° |
| C29 | C28 | H28 | 108.1° | 109.4° |
| C29 | C28 | H28A | 107.3° | 109.4° |
| C28 | C29 | H29 | 109.3° | 109.6° |
| C28 | C29 | H29A | 109.2° | 109.6° |
| N3 | C29 | H29 | 109.3° | 109.6° |
| N3 | C29 | H29A | 109.2° | 109.5° |
| C29 | N3 | HN3 | 106.7° | 111.0° |
| C27 | C31 | C32 | 120.0° | 119.9° |
| C27 | C31 | C36 | 119.8° | 120.0° |
| C31 | C27 | H27 | 109.1° | 109.5° |
| C31 | C27 | H27A | 108.8° | 109.4° |
| C32 | C31 | C36 | 120.1° | 120.1° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| C31 | C36 | C35 | 120.0° | 120.0° |
| C31 | C36 | H36 | 120.0° | 120.1° |
| C32 | C33 | C34 | 119.9° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C33 | C34 | C35 | 120.1° | 120.0° |
| C34 | C33 | H33 | 120.1° | 120.0° |
| C33 | C34 | H34 | 120.0° | 120.0° |
| C34 | C35 | C36 | 119.9° | 120.0° |
| C35 | C34 | H34 | 119.9° | 120.0° |
| C34 | C35 | H35 | 120.1° | 120.0° |
| C36 | C35 | H35 | 120.1° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
| H8 | C8 | H8A | 110.7° | 109.5° |
| H9 | C9 | H9A | 109.6° | 109.5° |
| H10 | C10 | H10A | 111.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H11 | C11 | H11B | 109.5° | 109.6° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12 | C12 | H12A | 112.6° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.4° |
| H13 | C13 | H13B | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H18 | C18 | H18A | 111.1° | 109.5° |
| H28 | C28 | H28A | 112.6° | 109.3° |
| H29 | C29 | H29A | 109.8° | 109.7° |
| H27 | C27 | H27A | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C7 | 178.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | C14 | 179.8° | 180.0° |
| C1 | C2 | C7 | N1 | 122.8° | 47.0° |
| C1 | C2 | C7 | O1 | 57.6° | 133.0° |
| C1 | C2 | C3 | H3 | 179.6° | 179.9° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C6 | C1 | C2 | C7 | 179.1° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | C14 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C1 | C6 | C14 | H14 | 95.6° | 90.0° |
| C1 | C6 | C14 | H14A | 24.4° | 150.0° |
| C1 | C6 | C14 | H14B | 144.4° | 30.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | C15 | 179.0° | 180.0° |
| C3 | C2 | C7 | N1 | 58.6° | 133.0° |
| C3 | C2 | C7 | O1 | 120.9° | 47.1° |
| C3 | C2 | C1 | H1 | 179.5° | 179.7° |
| C7 | C2 | C3 | C4 | 179.0° | 179.9° |
| C2 | C7 | N1 | O1 | 179.5° | 180.0° |
| C2 | C7 | N1 | C8 | 179.5° | 174.6° |
| C2 | C7 | N1 | C9 | 0.9° | 5.3° |
| C7 | C2 | C1 | H1 | 0.9° | 0.3° |
| C7 | C2 | C3 | H3 | 1.1° | 0.0° |
| C3 | C4 | C5 | C15 | 178.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C15 | O2 | 144.5° | 0.0° |
| C3 | C4 | C15 | N2 | 35.2° | 179.9° |
| C3 | C4 | C5 | H5 | 179.7° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C14 | 179.8° | 180.0° |
| C5 | C4 | C15 | O2 | 34.4° | 180.0° |
| C5 | C4 | C15 | N2 | 145.9° | 0.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C15 | C4 | C5 | C6 | 179.3° | 180.0° |
| C4 | C15 | O2 | N2 | 179.6° | 180.0° |
| C4 | C15 | N2 | C16 | 178.9° | 180.0° |
| C15 | C4 | C3 | H3 | 1.0° | 0.1° |
| C15 | C4 | C5 | H5 | 0.7° | 0.0° |
| C4 | C15 | N2 | HN2 | 1.1° | 0.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C5 | C6 | C14 | H14 | 84.4° | 90.0° |
| C5 | C6 | C14 | H14A | 155.6° | 30.0° |
| C5 | C6 | C14 | H14B | 35.6° | 150.0° |
| C14 | C6 | C1 | H1 | 0.2° | 0.3° |
| C14 | C6 | C5 | H5 | 0.2° | 0.0° |
| C6 | C14 | H14 | H14A | 120.0° | 120.0° |
| C6 | C14 | H14 | H14B | 120.0° | 120.0° |
| C6 | C14 | H14A | H14B | 120.0° | 119.9° |
| C7 | N1 | C8 | C9 | 179.6° | 180.0° |
| C7 | N1 | C8 | C12 | 109.6° | 84.3° |
| C7 | N1 | C9 | C10 | 121.5° | 99.3° |
| C7 | N1 | C8 | H8 | 130.4° | 155.7° |
| C7 | N1 | C8 | H8A | 9.8° | 35.7° |
| C7 | N1 | C9 | H9 | 118.5° | 140.7° |
| C7 | N1 | C9 | H9A | 1.6° | 20.7° |
| O1 | C7 | N1 | C8 | 0.0° | 5.4° |
| O1 | C7 | N1 | C9 | 179.6° | 174.6° |
| N1 | C8 | C12 | H8 | 120.0° | 120.0° |
| N1 | C8 | C12 | H8A | 119.4° | 120.0° |
| C8 | N1 | C9 | C10 | 58.0° | 80.7° |
| N1 | C8 | C12 | C13 | 46.6° | 179.9° |
| N1 | C8 | H8 | H8A | 119.4° | 120.0° |
| C8 | N1 | C9 | H9 | 61.9° | 39.2° |
| C8 | N1 | C9 | H9A | 178.0° | 159.3° |
| N1 | C8 | C12 | H12 | 73.4° | 60.0° |
| N1 | C8 | C12 | H12A | 164.9° | 60.0° |
| C9 | N1 | C8 | C12 | 70.8° | 95.6° |
| N1 | C9 | C10 | H9 | 120.0° | 120.0° |
| N1 | C9 | C10 | H9A | 119.9° | 120.0° |
| N1 | C9 | C10 | C11 | 48.1° | 174.0° |
| C9 | N1 | C8 | H8 | 49.1° | 24.4° |
| C9 | N1 | C8 | H8A | 169.8° | 144.4° |
| N1 | C9 | H9 | H9A | 120.0° | 120.1° |
| N1 | C9 | C10 | H10 | 71.9° | 54.1° |
| N1 | C9 | C10 | H10A | 167.0° | 66.0° |
| C8 | C12 | C13 | H12 | 120.0° | 120.1° |
| C8 | C12 | C13 | H12A | 118.2° | 120.0° |
| C12 | C8 | H8 | H8A | 119.4° | 120.0° |
| C8 | C12 | H12 | H12A | 118.3° | 120.0° |
| C8 | C12 | C13 | H13 | 166.1° | 180.0° |
| C8 | C12 | C13 | H13A | 73.9° | 60.0° |
| C8 | C12 | C13 | H13B | 46.1° | 60.1° |
| C9 | C10 | C11 | H10 | 120.0° | 119.9° |
| C9 | C10 | C11 | H10A | 118.9° | 120.0° |
| C10 | C9 | H9 | H9A | 119.9° | 120.0° |
| C9 | C10 | H10 | H10A | 118.9° | 120.1° |
| C9 | C10 | C11 | H11 | 14.8° | 180.0° |
| C9 | C10 | C11 | H11A | 134.8° | 60.1° |
| C9 | C10 | C11 | H11B | 105.2° | 59.9° |
| C11 | C10 | C9 | H9 | 168.1° | 66.0° |
| C11 | C10 | C9 | H9A | 71.8° | 54.0° |
| C11 | C10 | H10 | H10A | 119.0° | 120.0° |
| C10 | C11 | H11 | H11A | 120.0° | 119.9° |
| C10 | C11 | H11 | H11B | 120.0° | 120.1° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| C13 | C12 | C8 | H8 | 166.6° | 60.0° |
| C13 | C12 | C8 | H8A | 72.8° | 60.1° |
| C13 | C12 | H12 | H12A | 118.4° | 119.9° |
| C12 | C13 | H13 | H13A | 120.0° | 120.1° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| O2 | C15 | N2 | C16 | 0.8° | 0.0° |
| O2 | C15 | N2 | HN2 | 179.2° | 180.0° |
| C15 | N2 | C16 | HN2 | 180.0° | 180.0° |
| C15 | N2 | C16 | C17 | 112.4° | 155.0° |
| C15 | N2 | C16 | C18 | 125.5° | 85.0° |
| C15 | N2 | C16 | H16 | 5.1° | 35.0° |
| N2 | C16 | C17 | C18 | 122.2° | 120.0° |
| N2 | C16 | C17 | H16 | 117.4° | 120.0° |
| N2 | C16 | C18 | H16 | 117.6° | 119.9° |
| N2 | C16 | C17 | O3 | 174.0° | 64.9° |
| N2 | C16 | C17 | C25 | 64.7° | 175.0° |
| N2 | C16 | C18 | C19 | 47.6° | 65.0° |
| N2 | C16 | C17 | H17 | 52.7° | 55.0° |
| N2 | C16 | C18 | H18 | 72.4° | 55.0° |
| N2 | C16 | C18 | H18A | 166.7° | 175.0° |
| C17 | C16 | C18 | H16 | 117.8° | 120.1° |
| C16 | C17 | O3 | C25 | 125.3° | 120.1° |
| C16 | C17 | O3 | H17 | 117.0° | 119.9° |
| C16 | C17 | C25 | H17 | 116.6° | 119.9° |
| C17 | C16 | C18 | C19 | 172.2° | 175.0° |
| C16 | C17 | C25 | C26 | 66.6° | 180.0° |
| C16 | C17 | C25 | N3 | 167.6° | 59.4° |
| C17 | C16 | N2 | HN2 | 67.5° | 25.0° |
| C16 | C17 | O3 | HO3 | 152.8° | 60.1° |
| C17 | C16 | C18 | H18 | 52.2° | 65.0° |
| C17 | C16 | C18 | H18A | 68.7° | 55.0° |
| C16 | C17 | C25 | H25 | 49.1° | 60.2° |
| C18 | C16 | C17 | O3 | 51.8° | 55.0° |
| C18 | C16 | C17 | C25 | 173.1° | 65.1° |
| C16 | C18 | C19 | H18 | 120.0° | 120.0° |
| C16 | C18 | C19 | H18A | 119.1° | 120.0° |
| C16 | C18 | C19 | C20 | 61.9° | 90.0° |
| C16 | C18 | C19 | C24 | 118.3° | 90.3° |
| C18 | C16 | N2 | HN2 | 54.5° | 95.0° |
| C18 | C16 | C17 | H17 | 69.6° | 175.0° |
| C16 | C18 | H18 | H18A | 119.2° | 120.0° |
| O3 | C17 | C25 | H17 | 121.4° | 120.0° |
| O3 | C17 | C25 | C26 | 55.3° | 60.0° |
| O3 | C17 | C25 | N3 | 70.4° | 179.5° |
| O3 | C17 | C16 | H16 | 68.6° | 175.1° |
| O3 | C17 | C25 | H25 | 171.0° | 59.8° |
| C17 | C25 | C26 | N3 | 122.8° | 120.2° |
| C17 | C25 | C26 | H25 | 119.1° | 119.8° |
| C17 | C25 | N3 | H25 | 119.5° | 119.7° |
| C17 | C25 | C26 | N4 | 134.6° | 137.4° |
| C17 | C25 | C26 | O4 | 45.5° | 42.6° |
| C17 | C25 | N3 | C29 | 166.4° | 170.5° |
| C25 | C17 | C16 | H16 | 52.7° | 55.0° |
| C25 | C17 | O3 | HO3 | 27.5° | 60.0° |
| C17 | C25 | N3 | HN3 | 46.4° | 47.1° |
| C18 | C19 | C20 | C24 | 179.8° | 179.7° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C18 | C19 | C24 | C23 | 179.8° | 179.7° |
| C19 | C18 | C16 | H16 | 70.0° | 54.9° |
| C19 | C18 | H18 | H18A | 119.1° | 119.9° |
| C18 | C19 | C20 | H20 | 0.1° | 0.0° |
| C18 | C19 | C24 | H24 | 0.2° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | F1 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.0° | 0.5° |
| C20 | C19 | C18 | H18 | 178.1° | 30.0° |
| C20 | C19 | C18 | H18A | 57.2° | 150.0° |
| C20 | C19 | C24 | H24 | 180.0° | 179.7° |
| C24 | C19 | C20 | C21 | 0.1° | 0.2° |
| C19 | C24 | C23 | C22 | 0.0° | 0.6° |
| C19 | C24 | C23 | H24 | 180.0° | 179.7° |
| C19 | C24 | C23 | F2 | 180.0° | 179.7° |
| C24 | C19 | C18 | H18 | 1.7° | 149.7° |
| C24 | C19 | C18 | H18A | 122.6° | 29.8° |
| C24 | C19 | C20 | H20 | 179.9° | 179.7° |
| C20 | C21 | C22 | F1 | 179.9° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.3° |
| C21 | C22 | C23 | F2 | 180.0° | 180.0° |
| C22 | C21 | C20 | H20 | 179.9° | 180.0° |
| F1 | C21 | C22 | C23 | 180.0° | 180.0° |
| F1 | C21 | C20 | H20 | 0.0° | 0.1° |
| F1 | C21 | C22 | H22 | 0.0° | 0.1° |
| C22 | C23 | C24 | F2 | 180.0° | 179.8° |
| C22 | C23 | C24 | H24 | 180.0° | 179.7° |
| C24 | C23 | C22 | H22 | 180.0° | 179.7° |
| F2 | C23 | C22 | H22 | 0.0° | 0.1° |
| F2 | C23 | C24 | H24 | 0.0° | 0.0° |
| C26 | C25 | N3 | H25 | 115.6° | 120.1° |
| C25 | C26 | N4 | O4 | 179.9° | 179.9° |
| C25 | C26 | N4 | C28 | 0.5° | 1.6° |
| C25 | C26 | N4 | C27 | 179.8° | 178.3° |
| C26 | C25 | N3 | C29 | 41.4° | 50.2° |
| C26 | C25 | C17 | H17 | 176.7° | 60.1° |
| C26 | C25 | N3 | HN3 | 78.6° | 73.1° |
| N3 | C25 | C26 | N4 | 11.8° | 17.1° |
| N3 | C25 | C26 | O4 | 168.3° | 162.8° |
| C25 | N3 | C29 | C28 | 56.3° | 69.0° |
| C25 | N3 | C29 | HN3 | 120.0° | 123.3° |
| N3 | C25 | C17 | H17 | 50.9° | 60.5° |
| C25 | N3 | C29 | H29 | 63.8° | 50.8° |
| C25 | N3 | C29 | H29A | 176.1° | 171.2° |
| C26 | N4 | C28 | C27 | 179.4° | 180.0° |
| C26 | N4 | C28 | C29 | 15.5° | 18.2° |
| C26 | N4 | C27 | C31 | 107.7° | 90.0° |
| N4 | C26 | C25 | H25 | 106.2° | 102.9° |
| C26 | N4 | C28 | H28 | 135.5° | 138.3° |
| C26 | N4 | C28 | H28A | 102.8° | 102.0° |
| C26 | N4 | C27 | H27 | 132.3° | 150.0° |
| C26 | N4 | C27 | H27A | 11.8° | 30.0° |
| O4 | C26 | N4 | C28 | 179.6° | 178.3° |
| O4 | C26 | N4 | C27 | 0.3° | 1.7° |
| O4 | C26 | C25 | H25 | 73.7° | 77.2° |
| N4 | C28 | C29 | H28 | 120.0° | 120.2° |
| N4 | C28 | C29 | H28A | 118.3° | 120.2° |
| N4 | C28 | C29 | N3 | 40.5° | 50.3° |
| C28 | N4 | C27 | C31 | 71.7° | 90.0° |
| N4 | C28 | H28 | H28A | 118.4° | 119.7° |
| N4 | C28 | C29 | H29 | 79.5° | 69.5° |
| N4 | C28 | C29 | H29A | 160.3° | 170.1° |
| C28 | N4 | C27 | H27 | 48.3° | 30.0° |
| C28 | N4 | C27 | H27A | 168.7° | 150.0° |
| C27 | N4 | C28 | C29 | 165.1° | 161.8° |
| N4 | C27 | C31 | H27 | 120.0° | 120.0° |
| N4 | C27 | C31 | H27A | 119.5° | 120.0° |
| N4 | C27 | C31 | C32 | 65.3° | 90.0° |
| N4 | C27 | C31 | C36 | 114.5° | 90.2° |
| C27 | N4 | C28 | H28 | 45.1° | 41.7° |
| C27 | N4 | C28 | H28A | 76.6° | 78.0° |
| N4 | C27 | H27 | H27A | 119.5° | 120.0° |
| C28 | C29 | N3 | H29 | 120.0° | 119.8° |
| C28 | C29 | N3 | H29A | 119.8° | 119.8° |
| C29 | C28 | H28 | H28A | 118.3° | 119.7° |
| C28 | C29 | H29 | H29A | 119.8° | 120.4° |
| C28 | C29 | N3 | HN3 | 63.7° | 54.3° |
| C29 | N3 | C25 | H25 | 74.2° | 69.8° |
| N3 | C29 | C28 | H28 | 160.5° | 170.5° |
| N3 | C29 | C28 | H28A | 77.7° | 69.8° |
| N3 | C29 | H29 | H29A | 119.8° | 120.3° |
| C27 | C31 | C32 | C36 | 179.8° | 179.8° |
| C27 | C31 | C32 | C33 | 179.8° | 180.0° |
| C27 | C31 | C36 | C35 | 179.8° | 179.8° |
| C31 | C27 | H27 | H27A | 119.5° | 120.0° |
| C27 | C31 | C32 | H32 | 0.2° | 0.0° |
| C27 | C31 | C36 | H36 | 0.2° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C32 | C31 | C36 | C35 | 0.1° | 0.4° |
| C32 | C31 | C27 | H27 | 174.7° | 30.0° |
| C32 | C31 | C27 | H27A | 54.2° | 150.0° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C31 | C36 | H36 | 179.9° | 179.7° |
| C36 | C31 | C32 | C33 | 0.0° | 0.2° |
| C31 | C36 | C35 | C34 | 0.1° | 0.4° |
| C31 | C36 | C35 | H36 | 180.0° | 179.9° |
| C36 | C31 | C27 | H27 | 5.5° | 149.7° |
| C36 | C31 | C27 | H27A | 125.9° | 29.8° |
| C36 | C31 | C32 | H32 | 179.9° | 179.8° |
| C31 | C36 | C35 | H35 | 179.9° | 179.8° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.2° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| C33 | C34 | C35 | H35 | 179.9° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.8° |
| C35 | C34 | C33 | H33 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 179.9° | 179.7° |
| C36 | C35 | C34 | H34 | 179.9° | 179.8° |
| H8 | C8 | C12 | H12 | 46.6° | 180.0° |
| H8 | C8 | C12 | H12A | 75.1° | 60.0° |
| H8A | C8 | C12 | H12 | 167.2° | 60.0° |
| H8A | C8 | C12 | H12A | 45.5° | 180.0° |
| H9 | C9 | C10 | H10 | 48.1° | 174.1° |
| H9 | C9 | C10 | H10A | 73.0° | 54.0° |
| H9A | C9 | C10 | H10 | 168.2° | 65.9° |
| H9A | C9 | C10 | H10A | 47.1° | 174.0° |
| H10 | C10 | C11 | H11 | 105.2° | 60.1° |
| H10 | C10 | C11 | H11A | 14.8° | 180.0° |
| H10 | C10 | C11 | H11B | 134.8° | 60.0° |
| H10A | C10 | C11 | H11 | 133.7° | 59.9° |
| H10A | C10 | C11 | H11A | 106.3° | 60.0° |
| H10A | C10 | C11 | H11B | 13.7° | 179.9° |
| H11 | C11 | H11A | H11B | 120.0° | 120.1° |
| H12 | C12 | C13 | H13 | 46.1° | 59.9° |
| H12 | C12 | C13 | H13A | 166.1° | 180.0° |
| H12 | C12 | C13 | H13B | 73.9° | 60.0° |
| H12A | C12 | C13 | H13 | 75.6° | 60.0° |
| H12A | C12 | C13 | H13A | 44.3° | 60.0° |
| H12A | C12 | C13 | H13B | 164.4° | 180.0° |
| H13 | C13 | H13A | H13B | 120.0° | 119.9° |
| H14 | C14 | H14A | H14B | 119.9° | 120.0° |
| HN2 | N2 | C16 | H16 | 174.9° | 145.0° |
| H16 | C16 | C17 | H17 | 170.1° | 65.0° |
| H16 | C16 | C18 | H18 | 170.0° | 174.9° |
| H16 | C16 | C18 | H18A | 49.1° | 65.0° |
| H17 | C17 | O3 | HO3 | 90.2° | 180.0° |
| H17 | C17 | C25 | H25 | 67.6° | 179.8° |
| H25 | C25 | N3 | HN3 | 165.8° | 166.8° |
| H28 | C28 | C29 | H29 | 40.5° | 50.7° |
| H28 | C28 | C29 | H29A | 79.7° | 69.8° |
| H28A | C28 | C29 | H29 | 162.2° | 170.3° |
| H28A | C28 | C29 | H29A | 42.0° | 49.9° |
| H29 | C29 | N3 | HN3 | 176.2° | 174.1° |
| H29A | C29 | N3 | HN3 | 56.1° | 65.5° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| H33 | C33 | C34 | H34 | 0.0° | 0.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.1° |
