62Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C16 | doub | 1.32Å | 1.31Å | Aromatic |
| N3 | C15 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.51Å | |
| C18 | C36 | sing | 1.51Å | 1.53Å | |
| C13 | O3 | doub | 1.22Å | 1.27Å | |
| C13 | N1 | sing | 1.35Å | 1.38Å | |
| C37 | C4 | sing | 1.53Å | 1.54Å | |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| N1 | C4 | sing | 1.47Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C36 | F4 | sing | 1.40Å | 1.36Å | |
| C36 | F6 | sing | 1.40Å | 1.35Å | |
| C36 | F5 | sing | 1.40Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C5 | C1 | sing | 1.53Å | 1.58Å | |
| C5 | C6 | sing | 1.51Å | 1.57Å | |
| C5 | O2 | sing | 1.43Å | 1.46Å | |
| C22 | N2 | sing | 1.47Å | 1.49Å | |
| C22 | C21 | sing | 1.54Å | 1.59Å | |
| C6 | N2 | sing | 1.35Å | 1.40Å | |
| C6 | O1 | doub | 1.21Å | 1.24Å | |
| O5 | C33 | sing | 1.43Å | 1.46Å | |
| N2 | C19 | sing | 1.47Å | 1.50Å | |
| O2 | C7 | sing | 1.36Å | 1.31Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C21 | N4 | sing | 1.47Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.58Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| N4 | C20 | sing | 1.47Å | 1.48Å | |
| N4 | C23 | sing | 1.40Å | 1.48Å | |
| C32 | O4 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| O4 | C28 | sing | 1.36Å | 1.41Å | |
| C23 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.44Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C35 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | F2 | sing | 1.40Å | 1.38Å | |
| C35 | F1 | sing | 1.40Å | 1.34Å | |
| C35 | F3 | sing | 1.40Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| O5 | H31 | sing | 0.97Å | 0.95Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N3 | C15 | 120.2° | 121.9° |
| N3 | C16 | C17 | 120.6° | 121.1° |
| N3 | C16 | H13 | 119.7° | 119.4° |
| N3 | C15 | C14 | 124.2° | 120.5° |
| N3 | C15 | H12 | 117.9° | 119.7° |
| C16 | C17 | C18 | 120.5° | 119.3° |
| C17 | C16 | H13 | 119.7° | 119.5° |
| C16 | C17 | H14 | 119.7° | 120.4° |
| C39 | C38 | C37 | 115.3° | 109.5° |
| C39 | C38 | H34 | 108.0° | 109.5° |
| C39 | C38 | H35 | 108.0° | 109.5° |
| C38 | C39 | H36 | 109.5° | 109.4° |
| C38 | C39 | H37 | 109.4° | 109.5° |
| C38 | C39 | H38 | 109.5° | 109.5° |
| C15 | C14 | C18 | 116.4° | 118.9° |
| C15 | C14 | C13 | 119.4° | 120.5° |
| C14 | C15 | H12 | 117.9° | 119.8° |
| C38 | C37 | C4 | 113.9° | 109.5° |
| C38 | C37 | H32 | 108.3° | 109.5° |
| C38 | C37 | H33 | 108.3° | 109.4° |
| C37 | C38 | H34 | 108.0° | 109.4° |
| C37 | C38 | H35 | 108.0° | 109.4° |
| C17 | C18 | C14 | 118.0° | 118.3° |
| C17 | C18 | C36 | 119.1° | 120.9° |
| C18 | C17 | H14 | 119.8° | 120.3° |
| C18 | C14 | C13 | 124.1° | 120.6° |
| C14 | C18 | C36 | 122.8° | 120.8° |
| C14 | C13 | O3 | 115.1° | 119.9° |
| C14 | C13 | N1 | 119.5° | 120.0° |
| C18 | C36 | F4 | 116.7° | 109.4° |
| C18 | C36 | F6 | 107.2° | 109.5° |
| C18 | C36 | F5 | 112.8° | 109.5° |
| O3 | C13 | N1 | 125.4° | 120.0° |
| C13 | N1 | C3 | 122.5° | 120.7° |
| C13 | N1 | C4 | 120.2° | 120.6° |
| C37 | C4 | N1 | 113.6° | 109.6° |
| C37 | C4 | C5 | 117.0° | 109.6° |
| C37 | C4 | H7 | 105.3° | 109.7° |
| C4 | C37 | H32 | 108.4° | 109.5° |
| C4 | C37 | H33 | 108.4° | 109.5° |
| C3 | N1 | C4 | 117.3° | 118.7° |
| N1 | C3 | C2 | 112.0° | 108.8° |
| N1 | C3 | H5 | 108.8° | 109.6° |
| N1 | C3 | H6 | 108.8° | 109.7° |
| N1 | C4 | C5 | 109.5° | 108.8° |
| N1 | C4 | H7 | 105.4° | 109.5° |
| C3 | C2 | C1 | 112.4° | 109.3° |
| C3 | C2 | H3 | 108.7° | 109.5° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 108.9° | 109.6° |
| C2 | C3 | H6 | 108.8° | 109.6° |
| C4 | C5 | C1 | 107.3° | 109.3° |
| C4 | C5 | C6 | 108.6° | 109.5° |
| C4 | C5 | O2 | 104.7° | 109.5° |
| C5 | C4 | H7 | 104.9° | 109.6° |
| F4 | C36 | F6 | 106.9° | 109.5° |
| F4 | C36 | F5 | 106.3° | 109.5° |
| F6 | C36 | F5 | 106.3° | 109.5° |
| C2 | C1 | C5 | 114.0° | 109.5° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C2 | C1 | H2 | 108.3° | 109.5° |
| C1 | C2 | H3 | 108.8° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.5° |
| C1 | C5 | C6 | 114.8° | 109.5° |
| C1 | C5 | O2 | 105.5° | 109.4° |
| C5 | C1 | H1 | 108.3° | 109.5° |
| C5 | C1 | H2 | 108.3° | 109.4° |
| C6 | C5 | O2 | 115.3° | 109.5° |
| C5 | C6 | N2 | 122.1° | 120.0° |
| C5 | C6 | O1 | 117.4° | 120.0° |
| C5 | O2 | C7 | 127.0° | 117.0° |
| N2 | C22 | C21 | 103.1° | 108.3° |
| C22 | N2 | C6 | 130.1° | 120.9° |
| C22 | N2 | C19 | 110.6° | 118.2° |
| N2 | C22 | H21 | 111.0° | 109.6° |
| N2 | C22 | H22 | 111.0° | 109.6° |
| C22 | C21 | N4 | 113.1° | 109.2° |
| C22 | C21 | H19 | 108.6° | 109.7° |
| C22 | C21 | H20 | 108.6° | 109.5° |
| C21 | C22 | H21 | 111.0° | 109.8° |
| C21 | C22 | H22 | 111.0° | 109.7° |
| N2 | C6 | O1 | 120.5° | 120.0° |
| C6 | N2 | C19 | 119.2° | 120.9° |
| O5 | C33 | C32 | 118.0° | 109.5° |
| O5 | C33 | H29 | 107.3° | 109.5° |
| O5 | C33 | H30 | 107.3° | 109.5° |
| C33 | O5 | H31 | 109.5° | 114.0° |
| N2 | C19 | C20 | 106.0° | 108.5° |
| N2 | C19 | H15 | 110.3° | 109.6° |
| N2 | C19 | H16 | 110.4° | 109.6° |
| O2 | C7 | C8 | 111.9° | 120.0° |
| O2 | C7 | C12 | 126.6° | 120.0° |
| C19 | C20 | N4 | 109.4° | 109.3° |
| C20 | C19 | H15 | 110.3° | 109.6° |
| C20 | C19 | H16 | 110.3° | 109.7° |
| C19 | C20 | H17 | 109.5° | 109.5° |
| C19 | C20 | H18 | 109.5° | 109.5° |
| C21 | N4 | C20 | 109.4° | 111.2° |
| C21 | N4 | C23 | 121.3° | 111.0° |
| N4 | C21 | H19 | 108.5° | 109.5° |
| N4 | C21 | H20 | 108.5° | 109.4° |
| C33 | C32 | O4 | 114.5° | 109.5° |
| C33 | C32 | H27 | 108.2° | 109.5° |
| C33 | C32 | H28 | 108.2° | 109.5° |
| C32 | C33 | H29 | 107.3° | 109.5° |
| C32 | C33 | H30 | 107.3° | 109.5° |
| C8 | C7 | C12 | 121.6° | 119.9° |
| C7 | C8 | C9 | 118.0° | 119.9° |
| C7 | C8 | H8 | 121.0° | 120.1° |
| C7 | C12 | C11 | 119.1° | 119.9° |
| C7 | C12 | H11 | 120.5° | 120.1° |
| C8 | C9 | C10 | 121.3° | 120.1° |
| C9 | C8 | H8 | 121.0° | 120.0° |
| C8 | C9 | H9 | 119.4° | 120.0° |
| C20 | N4 | C23 | 110.7° | 111.0° |
| N4 | C20 | H17 | 109.5° | 109.5° |
| N4 | C20 | H18 | 109.5° | 109.5° |
| N4 | C23 | C28 | 121.9° | 120.1° |
| N4 | C23 | C24 | 118.7° | 120.0° |
| C32 | O4 | C28 | 132.4° | 117.0° |
| O4 | C32 | H27 | 108.2° | 109.5° |
| O4 | C32 | H28 | 108.2° | 109.5° |
| C12 | C11 | C10 | 121.1° | 120.1° |
| C12 | C11 | H10 | 119.5° | 120.0° |
| C11 | C12 | H11 | 120.5° | 120.0° |
| C9 | C10 | C11 | 118.9° | 120.1° |
| C9 | C10 | C35 | 119.7° | 119.9° |
| C10 | C9 | H9 | 119.3° | 120.0° |
| O4 | C28 | C23 | 123.2° | 120.1° |
| O4 | C28 | C27 | 119.4° | 120.1° |
| C28 | C23 | C24 | 119.2° | 119.9° |
| C23 | C28 | C27 | 117.3° | 119.8° |
| C23 | C24 | C25 | 121.5° | 119.9° |
| C23 | C24 | H23 | 119.2° | 120.0° |
| C11 | C10 | C35 | 121.3° | 120.0° |
| C10 | C11 | H10 | 119.4° | 119.9° |
| C28 | C27 | C26 | 122.4° | 120.0° |
| C28 | C27 | H26 | 118.8° | 120.0° |
| C24 | C25 | C26 | 120.8° | 120.1° |
| C25 | C24 | H23 | 119.2° | 120.0° |
| C24 | C25 | H24 | 119.6° | 119.9° |
| C10 | C35 | F2 | 108.0° | 109.5° |
| C10 | C35 | F1 | 114.9° | 109.5° |
| C10 | C35 | F3 | 110.7° | 109.5° |
| C27 | C26 | C25 | 118.7° | 120.2° |
| C27 | C26 | H25 | 120.7° | 119.9° |
| C26 | C27 | H26 | 118.8° | 120.0° |
| C26 | C25 | H24 | 119.6° | 120.0° |
| C25 | C26 | H25 | 120.7° | 119.9° |
| F2 | C35 | F1 | 110.3° | 109.5° |
| F2 | C35 | F3 | 110.8° | 109.4° |
| F1 | C35 | F3 | 102.1° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.4° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.6° |
| H15 | C19 | H16 | 109.5° | 109.8° |
| H17 | C20 | H18 | 109.5° | 109.6° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.7° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.5° | 109.4° |
| H36 | C39 | H37 | 109.5° | 109.5° |
| H36 | C39 | H38 | 109.5° | 109.4° |
| H37 | C39 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C16 | C17 | H13 | 180.0° | 180.0° |
| C16 | N3 | C15 | C14 | 1.4° | 0.0° |
| N3 | C16 | C17 | C18 | 3.9° | 0.1° |
| C16 | N3 | C15 | H12 | 178.6° | 180.0° |
| N3 | C16 | C17 | H14 | 176.1° | 180.0° |
| C15 | N3 | C16 | C17 | 3.4° | 0.0° |
| N3 | C15 | C14 | H12 | 180.0° | 180.0° |
| N3 | C15 | C14 | C18 | 0.3° | 0.0° |
| N3 | C15 | C14 | C13 | 176.2° | 179.8° |
| C15 | N3 | C16 | H13 | 176.6° | 180.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C14 | 2.2° | 0.1° |
| C16 | C17 | C18 | C36 | 179.7° | 179.7° |
| C39 | C38 | C37 | H34 | 120.8° | 120.0° |
| C39 | C38 | C37 | H35 | 120.8° | 120.0° |
| C39 | C38 | C37 | C4 | 164.5° | 174.3° |
| C39 | C38 | C37 | H32 | 74.8° | 65.7° |
| C39 | C38 | C37 | H33 | 43.8° | 54.3° |
| C39 | C38 | H34 | H35 | 117.3° | 120.0° |
| C38 | C39 | H36 | H37 | 120.0° | 120.0° |
| C38 | C39 | H36 | H38 | 120.0° | 119.9° |
| C38 | C39 | H37 | H38 | 120.0° | 120.0° |
| C15 | C14 | C18 | C17 | 0.2° | 0.0° |
| C15 | C14 | C18 | C13 | 176.3° | 179.7° |
| C15 | C14 | C18 | C36 | 178.2° | 179.7° |
| C15 | C14 | C13 | O3 | 103.5° | 147.9° |
| C15 | C14 | C13 | N1 | 77.1° | 32.1° |
| C38 | C37 | C4 | H32 | 120.7° | 120.0° |
| C38 | C37 | C4 | H33 | 120.7° | 120.0° |
| C38 | C37 | C4 | N1 | 52.3° | 179.5° |
| C38 | C37 | C4 | C5 | 178.6° | 61.2° |
| C38 | C37 | C4 | H7 | 62.5° | 59.2° |
| C38 | C37 | H32 | H33 | 118.0° | 120.0° |
| C37 | C38 | H34 | H35 | 117.3° | 119.9° |
| C37 | C38 | C39 | H36 | 180.0° | 180.0° |
| C37 | C38 | C39 | H37 | 60.0° | 60.0° |
| C37 | C38 | C39 | H38 | 60.0° | 60.1° |
| C17 | C18 | C14 | C36 | 178.0° | 179.8° |
| C17 | C18 | C14 | C13 | 176.5° | 179.8° |
| C17 | C18 | C36 | F4 | 106.6° | 0.2° |
| C17 | C18 | C36 | F6 | 13.1° | 119.7° |
| C17 | C18 | C36 | F5 | 129.8° | 120.2° |
| C18 | C17 | C16 | H13 | 176.1° | 180.0° |
| C18 | C14 | C13 | O3 | 72.8° | 31.8° |
| C18 | C14 | C13 | N1 | 106.7° | 148.2° |
| C14 | C18 | C36 | F4 | 75.3° | 180.0° |
| C14 | C18 | C36 | F6 | 164.9° | 60.0° |
| C14 | C18 | C36 | F5 | 48.2° | 60.0° |
| C18 | C14 | C15 | H12 | 179.7° | 180.0° |
| C14 | C18 | C17 | H14 | 177.8° | 180.0° |
| C13 | C14 | C18 | C36 | 5.4° | 0.0° |
| C14 | C13 | O3 | N1 | 179.4° | 180.0° |
| C14 | C13 | N1 | C3 | 11.0° | 0.4° |
| C14 | C13 | N1 | C4 | 169.0° | 179.5° |
| C13 | C14 | C15 | H12 | 3.8° | 0.3° |
| C18 | C36 | F4 | F6 | 119.9° | 120.0° |
| C18 | C36 | F4 | F5 | 126.8° | 120.0° |
| C18 | C36 | F6 | F5 | 120.9° | 120.0° |
| C36 | C18 | C17 | H14 | 0.3° | 0.2° |
| O3 | C13 | N1 | C3 | 168.4° | 179.6° |
| O3 | C13 | N1 | C4 | 11.6° | 0.4° |
| C13 | N1 | C4 | C37 | 102.0° | 6.6° |
| C13 | N1 | C3 | C4 | 180.0° | 180.0° |
| C13 | N1 | C3 | C2 | 130.7° | 126.4° |
| C13 | N1 | C4 | C5 | 125.1° | 126.4° |
| C13 | N1 | C3 | H5 | 10.3° | 6.6° |
| C13 | N1 | C3 | H6 | 108.9° | 113.7° |
| C13 | N1 | C4 | H7 | 12.8° | 113.9° |
| C37 | C4 | N1 | C3 | 78.0° | 173.4° |
| C37 | C4 | N1 | C5 | 132.8° | 119.8° |
| C37 | C4 | N1 | H7 | 114.8° | 120.4° |
| C37 | C4 | C5 | H7 | 116.3° | 120.5° |
| C37 | C4 | C5 | C1 | 76.0° | 174.4° |
| C37 | C4 | C5 | C6 | 48.6° | 54.5° |
| C37 | C4 | C5 | O2 | 172.3° | 65.7° |
| C4 | C37 | H32 | H33 | 118.0° | 120.0° |
| C4 | C37 | C38 | H34 | 43.7° | 54.2° |
| C4 | C37 | C38 | H35 | 74.7° | 65.7° |
| N1 | C3 | C2 | H5 | 120.4° | 119.7° |
| N1 | C3 | C2 | H6 | 120.4° | 119.9° |
| C3 | N1 | C4 | C5 | 54.9° | 53.6° |
| N1 | C3 | C2 | C1 | 46.3° | 54.7° |
| N1 | C3 | C2 | H3 | 74.1° | 65.3° |
| N1 | C3 | C2 | H4 | 166.8° | 174.6° |
| N1 | C3 | H5 | H6 | 118.9° | 120.4° |
| C3 | N1 | C4 | H7 | 167.2° | 66.2° |
| C4 | N1 | C3 | C2 | 49.3° | 53.6° |
| N1 | C4 | C5 | H7 | 112.7° | 119.7° |
| N1 | C4 | C5 | C1 | 55.1° | 54.7° |
| N1 | C4 | C5 | C6 | 179.7° | 65.3° |
| N1 | C4 | C5 | O2 | 56.6° | 174.6° |
| C4 | N1 | C3 | H5 | 169.7° | 173.3° |
| C4 | N1 | C3 | H6 | 71.1° | 66.3° |
| N1 | C4 | C37 | H32 | 68.3° | 60.5° |
| N1 | C4 | C37 | H33 | 173.0° | 59.6° |
| C3 | C2 | C1 | H3 | 120.4° | 120.0° |
| C3 | C2 | C1 | H4 | 120.5° | 120.0° |
| C3 | C2 | C1 | C5 | 53.3° | 61.4° |
| C3 | C2 | C1 | H1 | 174.0° | 58.6° |
| C3 | C2 | C1 | H2 | 67.4° | 178.6° |
| C3 | C2 | H3 | H4 | 118.7° | 120.1° |
| C2 | C3 | H5 | H6 | 118.8° | 120.4° |
| C4 | C5 | C1 | C2 | 57.4° | 61.4° |
| C4 | C5 | C1 | C6 | 120.8° | 120.0° |
| C4 | C5 | C1 | O2 | 111.2° | 119.9° |
| C4 | C5 | C6 | O2 | 117.1° | 120.1° |
| C4 | C5 | C6 | N2 | 65.3° | 159.7° |
| C4 | C5 | C6 | O1 | 112.6° | 20.3° |
| C4 | C5 | O2 | C7 | 173.3° | 55.4° |
| C4 | C5 | C1 | H1 | 178.1° | 58.6° |
| C4 | C5 | C1 | H2 | 63.3° | 178.6° |
| C5 | C4 | C37 | H32 | 60.8° | 58.8° |
| C5 | C4 | C37 | H33 | 57.9° | 178.9° |
| F4 | C36 | F6 | F5 | 113.3° | 120.0° |
| C2 | C1 | C5 | H1 | 120.7° | 120.0° |
| C2 | C1 | C5 | H2 | 120.7° | 120.0° |
| C2 | C1 | C5 | C6 | 178.2° | 58.6° |
| C2 | C1 | C5 | O2 | 53.8° | 178.7° |
| C2 | C1 | H1 | H2 | 117.9° | 120.0° |
| C1 | C2 | H3 | H4 | 118.7° | 120.0° |
| C1 | C2 | C3 | H5 | 166.7° | 174.4° |
| C1 | C2 | C3 | H6 | 74.0° | 65.3° |
| C1 | C5 | C6 | O2 | 122.9° | 120.0° |
| C1 | C5 | C6 | N2 | 174.7° | 80.4° |
| C1 | C5 | C6 | O1 | 7.4° | 99.6° |
| C1 | C5 | O2 | C7 | 73.7° | 64.4° |
| C5 | C1 | H1 | H2 | 117.9° | 120.0° |
| C5 | C1 | C2 | H3 | 67.2° | 58.6° |
| C5 | C1 | C2 | H4 | 173.7° | 178.6° |
| C1 | C5 | C4 | H7 | 167.8° | 65.1° |
| C5 | C6 | N2 | C22 | 5.1° | 5.1° |
| C5 | C6 | N2 | O1 | 177.9° | 180.0° |
| C5 | C6 | N2 | C19 | 179.4° | 174.7° |
| C6 | C5 | O2 | C7 | 54.0° | 175.5° |
| C6 | C5 | C1 | H1 | 61.1° | 178.6° |
| C6 | C5 | C1 | H2 | 57.5° | 61.4° |
| C6 | C5 | C4 | H7 | 67.6° | 174.9° |
| O2 | C5 | C6 | N2 | 51.8° | 39.6° |
| O2 | C5 | C6 | O1 | 130.3° | 140.4° |
| C5 | O2 | C7 | C8 | 175.7° | 175.6° |
| C5 | O2 | C7 | C12 | 3.0° | 4.1° |
| O2 | C5 | C1 | H1 | 66.9° | 61.3° |
| O2 | C5 | C1 | H2 | 174.4° | 58.7° |
| O2 | C5 | C4 | H7 | 56.1° | 54.8° |
| N2 | C22 | C21 | H21 | 119.0° | 119.7° |
| N2 | C22 | C21 | H22 | 119.0° | 119.6° |
| C22 | N2 | C6 | C19 | 175.5° | 179.8° |
| C22 | N2 | C6 | O1 | 177.1° | 174.9° |
| C22 | N2 | C19 | C20 | 69.9° | 51.5° |
| N2 | C22 | C21 | N4 | 58.5° | 54.1° |
| C22 | N2 | C19 | H15 | 170.6° | 171.1° |
| C22 | N2 | C19 | H16 | 49.5° | 68.3° |
| N2 | C22 | C21 | H19 | 179.1° | 65.9° |
| N2 | C22 | C21 | H20 | 62.0° | 173.9° |
| N2 | C22 | H21 | H22 | 122.9° | 120.4° |
| C21 | C22 | N2 | C6 | 110.4° | 128.7° |
| C21 | C22 | N2 | C19 | 65.5° | 51.5° |
| C22 | C21 | N4 | H19 | 120.5° | 120.1° |
| C22 | C21 | N4 | H20 | 120.5° | 119.8° |
| C22 | C21 | N4 | C20 | 56.8° | 63.2° |
| C22 | C21 | N4 | C23 | 172.5° | 172.6° |
| C22 | C21 | H19 | H20 | 118.3° | 120.1° |
| C21 | C22 | H21 | H22 | 123.0° | 120.7° |
| C6 | N2 | C19 | C20 | 106.4° | 128.8° |
| C6 | N2 | C19 | H15 | 13.0° | 9.1° |
| C6 | N2 | C19 | H16 | 134.1° | 111.5° |
| C6 | N2 | C22 | H21 | 130.7° | 111.5° |
| C6 | N2 | C22 | H22 | 8.6° | 9.0° |
| O1 | C6 | N2 | C19 | 1.5° | 5.3° |
| O5 | C33 | C32 | H29 | 121.2° | 120.0° |
| O5 | C33 | C32 | H30 | 121.2° | 120.0° |
| O5 | C33 | C32 | O4 | 103.3° | 65.0° |
| O5 | C33 | C32 | H27 | 136.0° | 55.0° |
| O5 | C33 | C32 | H28 | 17.5° | 175.1° |
| O5 | C33 | H29 | H30 | 116.2° | 120.0° |
| N2 | C19 | C20 | H15 | 119.5° | 119.7° |
| N2 | C19 | C20 | H16 | 119.5° | 119.7° |
| N2 | C19 | C20 | N4 | 63.1° | 53.9° |
| N2 | C19 | H15 | H16 | 121.6° | 120.5° |
| N2 | C19 | C20 | H17 | 56.9° | 66.1° |
| N2 | C19 | C20 | H18 | 177.0° | 173.8° |
| C19 | N2 | C22 | H21 | 53.5° | 68.3° |
| C19 | N2 | C22 | H22 | 175.6° | 171.2° |
| O2 | C7 | C8 | C12 | 178.7° | 179.7° |
| O2 | C7 | C8 | C9 | 178.3° | 180.0° |
| O2 | C7 | C12 | C11 | 179.5° | 179.7° |
| O2 | C7 | C8 | H8 | 1.7° | 0.1° |
| O2 | C7 | C12 | H11 | 0.4° | 0.0° |
| C19 | C20 | N4 | C21 | 57.2° | 63.1° |
| C19 | C20 | N4 | H17 | 120.0° | 120.0° |
| C19 | C20 | N4 | H18 | 120.0° | 119.9° |
| C19 | C20 | N4 | C23 | 166.6° | 172.7° |
| C20 | C19 | H15 | H16 | 121.6° | 120.5° |
| C19 | C20 | H17 | H18 | 120.0° | 120.1° |
| C21 | N4 | C20 | C23 | 136.2° | 124.2° |
| C21 | N4 | C23 | C28 | 166.3° | 115.7° |
| C21 | N4 | C23 | C24 | 16.8° | 64.5° |
| C21 | N4 | C20 | H17 | 62.8° | 56.9° |
| C21 | N4 | C20 | H18 | 177.1° | 177.0° |
| N4 | C21 | H19 | H20 | 118.3° | 120.0° |
| N4 | C21 | C22 | H21 | 60.4° | 65.6° |
| N4 | C21 | C22 | H22 | 177.5° | 173.7° |
| C33 | C32 | O4 | H27 | 120.7° | 120.0° |
| C33 | C32 | O4 | H28 | 120.8° | 120.0° |
| C33 | C32 | O4 | C28 | 163.4° | 180.0° |
| C33 | C32 | H27 | H28 | 117.7° | 120.0° |
| C32 | C33 | H29 | H30 | 116.2° | 120.0° |
| C32 | C33 | O5 | H31 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C12 | C11 | 1.9° | 0.6° |
| C7 | C8 | C9 | C10 | 3.5° | 0.0° |
| C7 | C8 | C9 | H9 | 176.5° | 180.0° |
| C8 | C7 | C12 | H11 | 178.1° | 179.7° |
| C12 | C7 | C8 | C9 | 3.0° | 0.3° |
| C7 | C12 | C11 | H11 | 180.0° | 179.7° |
| C7 | C12 | C11 | C10 | 1.3° | 0.7° |
| C12 | C7 | C8 | H8 | 177.0° | 179.8° |
| C7 | C12 | C11 | H10 | 178.7° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 3.0° | 0.1° |
| C8 | C9 | C10 | C35 | 179.6° | 180.0° |
| C20 | N4 | C23 | C28 | 63.5° | 120.0° |
| C20 | N4 | C23 | C24 | 113.4° | 59.8° |
| N4 | C20 | C19 | H15 | 177.5° | 173.5° |
| N4 | C20 | C19 | H16 | 56.4° | 65.9° |
| N4 | C20 | H17 | H18 | 120.1° | 120.0° |
| C20 | N4 | C21 | H19 | 177.3° | 56.9° |
| C20 | N4 | C21 | H20 | 63.8° | 176.9° |
| N4 | C23 | C28 | O4 | 0.3° | 0.0° |
| N4 | C23 | C28 | C24 | 176.9° | 179.8° |
| N4 | C23 | C28 | C27 | 177.6° | 179.7° |
| N4 | C23 | C24 | C25 | 178.6° | 180.0° |
| C23 | N4 | C20 | H17 | 73.4° | 67.3° |
| C23 | N4 | C20 | H18 | 46.7° | 52.8° |
| C23 | N4 | C21 | H19 | 51.9° | 67.3° |
| C23 | N4 | C21 | H20 | 67.0° | 52.8° |
| N4 | C23 | C24 | H23 | 1.4° | 0.0° |
| C32 | O4 | C28 | C23 | 84.5° | 180.0° |
| C32 | O4 | C28 | C27 | 98.3° | 0.3° |
| O4 | C32 | H27 | H28 | 117.7° | 120.0° |
| O4 | C32 | C33 | H29 | 17.9° | 175.0° |
| O4 | C32 | C33 | H30 | 135.5° | 55.0° |
| C12 | C11 | C10 | C9 | 1.9° | 0.4° |
| C12 | C11 | C10 | H10 | 180.0° | 179.6° |
| C12 | C11 | C10 | C35 | 179.2° | 179.7° |
| C9 | C10 | C11 | C35 | 177.3° | 179.9° |
| C9 | C10 | C35 | F2 | 44.1° | 90.0° |
| C9 | C10 | C35 | F1 | 79.5° | 150.0° |
| C9 | C10 | C35 | F3 | 165.5° | 30.0° |
| C10 | C9 | C8 | H8 | 176.5° | 180.0° |
| C9 | C10 | C11 | H10 | 178.2° | 180.0° |
| O4 | C28 | C23 | C27 | 177.3° | 179.7° |
| O4 | C28 | C23 | C24 | 176.7° | 179.8° |
| O4 | C28 | C27 | C26 | 176.5° | 179.8° |
| O4 | C28 | C27 | H26 | 3.5° | 0.0° |
| C28 | O4 | C32 | H27 | 75.9° | 60.0° |
| C28 | O4 | C32 | H28 | 42.6° | 60.0° |
| C28 | C23 | C24 | C25 | 1.6° | 0.2° |
| C23 | C28 | C27 | C26 | 0.9° | 0.5° |
| C28 | C23 | C24 | H23 | 178.4° | 179.8° |
| C23 | C28 | C27 | H26 | 179.1° | 179.8° |
| C24 | C23 | C28 | C27 | 0.6° | 0.5° |
| C23 | C24 | C25 | H23 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 2.8° | 0.1° |
| C23 | C24 | C25 | H24 | 177.2° | 180.0° |
| C11 | C10 | C35 | F2 | 133.2° | 90.1° |
| C11 | C10 | C35 | F1 | 103.2° | 29.9° |
| C11 | C10 | C35 | F3 | 11.8° | 150.0° |
| C11 | C10 | C9 | H9 | 177.0° | 179.9° |
| C10 | C11 | C12 | H11 | 178.7° | 179.7° |
| C28 | C27 | C26 | H26 | 180.0° | 179.7° |
| C28 | C27 | C26 | C25 | 2.0° | 0.3° |
| C28 | C27 | C26 | H25 | 178.0° | 179.7° |
| C24 | C25 | C26 | C27 | 2.9° | 0.0° |
| C24 | C25 | C26 | H24 | 180.0° | 179.9° |
| C24 | C25 | C26 | H25 | 177.1° | 180.0° |
| C10 | C35 | F2 | F1 | 126.3° | 120.0° |
| C10 | C35 | F2 | F3 | 121.4° | 120.0° |
| C10 | C35 | F1 | F3 | 119.9° | 120.0° |
| C35 | C10 | C9 | H9 | 0.4° | 0.0° |
| C35 | C10 | C11 | H10 | 0.8° | 0.1° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| C27 | C26 | C25 | H24 | 177.1° | 179.9° |
| C26 | C25 | C24 | H23 | 177.2° | 180.0° |
| C25 | C26 | C27 | H26 | 178.0° | 180.0° |
| F2 | C35 | F1 | F3 | 117.8° | 119.9° |
| H1 | C1 | C2 | H3 | 53.5° | 178.6° |
| H1 | C1 | C2 | H4 | 65.6° | 61.4° |
| H2 | C1 | C2 | H3 | 172.2° | 61.4° |
| H2 | C1 | C2 | H4 | 53.1° | 58.6° |
| H3 | C2 | C3 | H5 | 46.3° | 54.4° |
| H3 | C2 | C3 | H6 | 165.5° | 174.7° |
| H4 | C2 | C3 | H5 | 72.8° | 65.6° |
| H4 | C2 | C3 | H6 | 46.4° | 54.7° |
| H7 | C4 | C37 | H32 | 176.8° | 179.2° |
| H7 | C4 | C37 | H33 | 58.1° | 60.7° |
| H8 | C8 | C9 | H9 | 3.5° | 0.0° |
| H10 | C11 | C12 | H11 | 1.3° | 0.0° |
| H13 | C16 | C17 | H14 | 3.9° | 0.0° |
| H15 | C19 | C20 | H17 | 62.5° | 53.6° |
| H15 | C19 | C20 | H18 | 57.5° | 66.6° |
| H16 | C19 | C20 | H17 | 176.4° | 174.2° |
| H16 | C19 | C20 | H18 | 63.5° | 54.0° |
| H19 | C21 | C22 | H21 | 60.1° | 174.4° |
| H19 | C21 | C22 | H22 | 62.0° | 53.7° |
| H20 | C21 | C22 | H21 | 179.0° | 54.2° |
| H20 | C21 | C22 | H22 | 57.0° | 66.4° |
| H23 | C24 | C25 | H24 | 2.8° | 0.1° |
| H24 | C25 | C26 | H25 | 2.9° | 0.1° |
| H25 | C26 | C27 | H26 | 2.0° | 0.0° |
| H27 | C32 | C33 | H29 | 102.8° | 65.0° |
| H27 | C32 | C33 | H30 | 14.8° | 175.0° |
| H28 | C32 | C33 | H29 | 138.7° | 55.0° |
| H28 | C32 | C33 | H30 | 103.7° | 64.9° |
| H29 | C33 | O5 | H31 | 58.8° | 60.0° |
| H30 | C33 | O5 | H31 | 58.8° | 60.0° |
| H32 | C37 | C38 | H34 | 164.3° | 174.2° |
| H32 | C37 | C38 | H35 | 46.0° | 54.3° |
| H33 | C37 | C38 | H34 | 77.0° | 65.7° |
| H33 | C37 | C38 | H35 | 164.7° | 174.3° |
| H34 | C38 | C39 | H36 | 59.2° | 60.0° |
| H34 | C38 | C39 | H37 | 60.8° | 180.0° |
| H34 | C38 | C39 | H38 | 179.2° | 59.9° |
| H35 | C38 | C39 | H36 | 59.1° | 60.0° |
| H35 | C38 | C39 | H37 | 179.1° | 60.0° |
| H35 | C38 | C39 | H38 | 60.9° | 180.0° |
| H36 | C39 | H37 | H38 | 120.0° | 120.0° |
