5CV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N29 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C38 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| N30 | N29 | sing | 1.40Å | 1.46Å | Aromatic |
| N30 | C31 | doub | 1.31Å | 1.38Å | Aromatic |
| N29 | C28 | sing | 1.34Å | 1.34Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C26 | doub | 1.38Å | 1.35Å | Aromatic |
| C31 | C26 | sing | 1.41Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.47Å | 1.53Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | O27 | doub | 1.22Å | 1.24Å | |
| C25 | N24 | sing | 1.35Å | 1.38Å | |
| N24 | C4 | sing | 1.40Å | 1.35Å | |
| C23 | N21 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | doub | 1.36Å | 1.38Å | |
| C22 | N21 | sing | 1.47Å | 1.48Å | |
| N21 | C20 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | |
| C5 | N6 | sing | 1.36Å | 1.40Å | |
| C10 | C8 | doub | 1.36Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.35Å | Aromatic |
| C2 | C8 | sing | 1.48Å | 1.40Å | |
| C2 | C1 | sing | 1.42Å | 1.40Å | |
| C16 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.38Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| N6 | C1 | sing | 1.35Å | 1.38Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C1 | O7 | doub | 1.22Å | 1.25Å | |
| O17 | C15 | sing | 1.36Å | 1.36Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| N9 | C12 | sing | 1.38Å | 1.31Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C40 | sing | 1.53Å | 1.55Å | |
| C19 | C39 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C39 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| N9 | H23 | sing | 0.97Å | 1.00Å | |
| C3 | H24 | sing | 1.08Å | 1.08Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| N24 | H26 | sing | 0.97Å | 1.00Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N29 | C32 | C33 | 108.7° | 109.5° |
| C32 | N29 | N30 | 132.0° | 125.7° |
| C32 | N29 | C28 | 120.9° | 125.7° |
| N29 | C32 | H29 | 109.7° | 109.5° |
| N29 | C32 | H30 | 109.7° | 109.5° |
| C32 | C33 | C38 | 120.5° | 120.0° |
| C32 | C33 | C34 | 119.2° | 119.9° |
| C33 | C32 | H29 | 109.7° | 109.5° |
| C33 | C32 | H30 | 109.7° | 109.4° |
| C33 | C38 | C37 | 119.2° | 120.0° |
| C38 | C33 | C34 | 120.3° | 120.1° |
| C33 | C38 | H35 | 120.4° | 120.0° |
| C38 | C37 | C36 | 120.1° | 120.1° |
| C38 | C37 | H34 | 120.0° | 120.0° |
| C37 | C38 | H35 | 120.4° | 120.0° |
| N29 | N30 | C31 | 106.0° | 108.8° |
| N30 | N29 | C28 | 107.1° | 108.6° |
| N30 | C31 | C26 | 107.4° | 108.1° |
| N30 | C31 | H28 | 126.3° | 126.0° |
| N29 | C28 | C26 | 109.3° | 107.4° |
| N29 | C28 | H27 | 125.4° | 126.3° |
| C33 | C34 | C35 | 120.7° | 120.0° |
| C33 | C34 | H31 | 119.7° | 120.0° |
| C37 | C36 | C35 | 121.3° | 120.0° |
| C37 | C36 | H33 | 119.4° | 120.0° |
| C36 | C37 | H34 | 119.9° | 120.0° |
| C28 | C26 | C31 | 110.2° | 107.2° |
| C28 | C26 | C25 | 120.7° | 126.4° |
| C26 | C28 | H27 | 125.4° | 126.4° |
| C31 | C26 | C25 | 129.0° | 126.5° |
| C26 | C31 | H28 | 126.3° | 126.0° |
| C26 | C25 | O27 | 118.2° | 120.0° |
| C26 | C25 | N24 | 117.6° | 119.9° |
| C34 | C35 | C36 | 118.5° | 120.0° |
| C35 | C34 | H31 | 119.7° | 120.0° |
| C34 | C35 | H32 | 120.7° | 120.0° |
| C36 | C35 | H32 | 120.8° | 120.0° |
| C35 | C36 | H33 | 119.3° | 120.0° |
| O27 | C25 | N24 | 123.9° | 120.0° |
| C25 | N24 | C4 | 128.6° | 120.0° |
| C25 | N24 | H26 | 115.7° | 120.0° |
| N24 | C4 | C3 | 120.1° | 120.0° |
| N24 | C4 | C5 | 121.3° | 120.0° |
| C4 | N24 | H26 | 115.7° | 120.0° |
| C23 | N21 | C22 | 112.3° | 111.0° |
| C23 | N21 | C20 | 111.5° | 111.0° |
| N21 | C23 | H6 | 109.5° | 109.5° |
| N21 | C23 | H7 | 109.5° | 109.5° |
| N21 | C23 | H8 | 109.5° | 109.5° |
| C3 | C4 | C5 | 118.5° | 120.1° |
| C4 | C3 | C2 | 120.6° | 118.9° |
| C4 | C3 | H24 | 119.7° | 120.5° |
| C4 | C5 | N6 | 121.4° | 121.0° |
| C4 | C5 | H1 | 119.3° | 119.5° |
| C22 | N21 | C20 | 113.2° | 111.0° |
| N21 | C22 | H3 | 109.5° | 109.5° |
| N21 | C22 | H4 | 109.5° | 109.4° |
| N21 | C22 | H5 | 109.5° | 109.5° |
| N21 | C20 | C19 | 110.3° | 109.5° |
| N21 | C20 | H13 | 109.3° | 109.5° |
| N21 | C20 | H14 | 109.2° | 109.5° |
| C3 | C2 | C8 | 122.6° | 120.5° |
| C3 | C2 | C1 | 120.0° | 119.0° |
| C2 | C3 | H24 | 119.7° | 120.5° |
| C5 | N6 | C1 | 119.1° | 121.0° |
| N6 | C5 | H1 | 119.3° | 119.5° |
| C5 | N6 | H25 | 120.4° | 119.5° |
| C8 | C10 | C11 | 108.3° | 107.0° |
| C10 | C8 | C2 | 129.6° | 125.3° |
| C10 | C8 | N9 | 107.9° | 109.6° |
| C8 | C10 | H2 | 125.9° | 126.5° |
| C10 | C11 | C16 | 134.2° | 133.7° |
| C10 | C11 | C12 | 106.7° | 106.4° |
| C11 | C10 | H2 | 125.8° | 126.6° |
| C8 | C2 | C1 | 117.4° | 120.5° |
| C2 | C8 | N9 | 122.4° | 125.2° |
| C2 | C1 | N6 | 120.2° | 119.9° |
| C2 | C1 | O7 | 122.6° | 120.1° |
| C11 | C16 | C15 | 118.4° | 119.6° |
| C16 | C11 | C12 | 119.1° | 119.9° |
| C11 | C16 | H11 | 120.8° | 120.2° |
| C16 | C15 | O17 | 123.5° | 119.9° |
| C16 | C15 | C14 | 121.7° | 120.3° |
| C15 | C16 | H11 | 120.8° | 120.2° |
| C8 | N9 | C12 | 109.4° | 109.8° |
| C8 | N9 | H23 | 125.3° | 125.2° |
| C11 | C12 | N9 | 107.7° | 107.3° |
| C11 | C12 | C13 | 122.2° | 119.5° |
| O17 | C18 | C19 | 103.3° | 109.5° |
| C18 | O17 | C15 | 110.9° | 117.0° |
| O17 | C18 | H9 | 111.0° | 109.4° |
| O17 | C18 | H10 | 111.0° | 109.5° |
| C18 | C19 | C20 | 106.4° | 109.5° |
| C18 | C19 | C40 | 111.0° | 109.5° |
| C18 | C19 | C39 | 106.1° | 109.5° |
| C19 | C18 | H9 | 111.0° | 109.5° |
| C19 | C18 | H10 | 111.0° | 109.5° |
| N6 | C1 | O7 | 117.3° | 120.0° |
| C1 | N6 | H25 | 120.4° | 119.4° |
| C20 | C19 | C40 | 110.4° | 109.4° |
| C20 | C19 | C39 | 111.2° | 109.5° |
| C19 | C20 | H13 | 109.2° | 109.5° |
| C19 | C20 | H14 | 109.3° | 109.5° |
| O17 | C15 | C14 | 114.7° | 119.9° |
| C15 | C14 | C13 | 119.9° | 120.6° |
| C15 | C14 | H21 | 120.0° | 119.7° |
| N9 | C12 | C13 | 130.1° | 133.1° |
| C12 | N9 | H23 | 125.3° | 125.1° |
| C12 | C13 | C14 | 118.7° | 120.0° |
| C12 | C13 | H22 | 120.7° | 120.0° |
| C40 | C19 | C39 | 111.5° | 109.5° |
| C19 | C40 | H18 | 109.5° | 109.5° |
| C19 | C40 | H19 | 109.5° | 109.5° |
| C19 | C40 | H20 | 109.5° | 109.4° |
| C19 | C39 | H15 | 109.5° | 109.5° |
| C19 | C39 | H16 | 109.5° | 109.5° |
| C19 | C39 | H17 | 109.5° | 109.5° |
| C13 | C14 | H21 | 120.1° | 119.7° |
| C14 | C13 | H22 | 120.7° | 120.0° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H3 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.4° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H6 | C23 | H8 | 109.4° | 109.4° |
| H7 | C23 | H8 | 109.4° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C39 | H16 | 109.4° | 109.5° |
| H15 | C39 | H17 | 109.5° | 109.5° |
| H16 | C39 | H17 | 109.5° | 109.5° |
| H18 | C40 | H19 | 109.5° | 109.5° |
| H18 | C40 | H20 | 109.5° | 109.5° |
| H19 | C40 | H20 | 109.5° | 109.5° |
| H29 | C32 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | C32 | C33 | H29 | 119.9° | 120.0° |
| N29 | C32 | C33 | H30 | 119.9° | 120.0° |
| N29 | C32 | C33 | C38 | 106.5° | 90.3° |
| C32 | N29 | N30 | C28 | 178.1° | 180.0° |
| C32 | N29 | N30 | C31 | 179.8° | 180.0° |
| N29 | C32 | C33 | C34 | 72.9° | 90.0° |
| C32 | N29 | C28 | C26 | 179.6° | 179.8° |
| C32 | N29 | C28 | H27 | 0.5° | 0.1° |
| N29 | C32 | H29 | H30 | 120.3° | 120.0° |
| C32 | C33 | C38 | C34 | 179.3° | 179.7° |
| C32 | C33 | C38 | C37 | 179.2° | 179.7° |
| C33 | C32 | N29 | N30 | 69.7° | 55.0° |
| C33 | C32 | N29 | C28 | 112.4° | 124.9° |
| C32 | C33 | C34 | C35 | 179.1° | 180.0° |
| C33 | C32 | H29 | H30 | 120.4° | 120.0° |
| C32 | C33 | C34 | H31 | 0.9° | 0.0° |
| C32 | C33 | C38 | H35 | 0.8° | 0.0° |
| C33 | C38 | C37 | H35 | 180.0° | 179.7° |
| C33 | C38 | C37 | C36 | 0.3° | 0.6° |
| C38 | C33 | C34 | C35 | 0.2° | 0.3° |
| C38 | C33 | C32 | H29 | 133.7° | 149.7° |
| C38 | C33 | C32 | H30 | 13.4° | 29.7° |
| C38 | C33 | C34 | H31 | 179.8° | 179.7° |
| C33 | C38 | C37 | H34 | 179.7° | 179.7° |
| C37 | C38 | C33 | C34 | 0.1° | 0.6° |
| C38 | C37 | C36 | H34 | 180.0° | 179.8° |
| C38 | C37 | C36 | C35 | 0.6° | 0.3° |
| C38 | C37 | C36 | H33 | 179.4° | 179.8° |
| N30 | N29 | C28 | C26 | 1.2° | 0.2° |
| N29 | N30 | C31 | C26 | 2.2° | 0.1° |
| N30 | N29 | C28 | H27 | 178.8° | 179.9° |
| N29 | N30 | C31 | H28 | 177.8° | 179.8° |
| N30 | N29 | C32 | H29 | 170.4° | 65.0° |
| N30 | N29 | C32 | H30 | 50.1° | 175.0° |
| C31 | N30 | N29 | C28 | 2.1° | 0.0° |
| N30 | C31 | C26 | C28 | 1.5° | 0.2° |
| N30 | C31 | C26 | H28 | 180.0° | 179.9° |
| N30 | C31 | C26 | C25 | 178.4° | 180.0° |
| N29 | C28 | C26 | H27 | 180.0° | 179.9° |
| N29 | C28 | C26 | C31 | 0.1° | 0.3° |
| N29 | C28 | C26 | C25 | 177.3° | 180.0° |
| C28 | N29 | C32 | H29 | 7.5° | 115.1° |
| C28 | N29 | C32 | H30 | 127.7° | 5.0° |
| C33 | C34 | C35 | H31 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C34 | C33 | C32 | H29 | 47.0° | 30.0° |
| C34 | C33 | C32 | H30 | 167.3° | 150.0° |
| C33 | C34 | C35 | H32 | 179.9° | 180.0° |
| C34 | C33 | C38 | H35 | 179.9° | 179.7° |
| C37 | C36 | C35 | C34 | 0.4° | 0.0° |
| C37 | C36 | C35 | H33 | 180.0° | 180.0° |
| C37 | C36 | C35 | H32 | 179.5° | 180.0° |
| C36 | C37 | C38 | H35 | 179.7° | 179.7° |
| C28 | C26 | C31 | C25 | 176.8° | 179.7° |
| C28 | C26 | C25 | O27 | 164.8° | 0.0° |
| C28 | C26 | C25 | N24 | 20.9° | 180.0° |
| C28 | C26 | C31 | H28 | 178.5° | 179.7° |
| C31 | C26 | C25 | O27 | 18.7° | 179.7° |
| C31 | C26 | C25 | N24 | 155.6° | 0.3° |
| C31 | C26 | C28 | H27 | 179.8° | 179.8° |
| C26 | C25 | O27 | N24 | 173.9° | 180.0° |
| C26 | C25 | N24 | C4 | 174.5° | 175.0° |
| C26 | C25 | N24 | H26 | 5.5° | 5.0° |
| C25 | C26 | C28 | H27 | 2.7° | 0.1° |
| C25 | C26 | C31 | H28 | 1.6° | 0.1° |
| C34 | C35 | C36 | H32 | 180.0° | 180.0° |
| C34 | C35 | C36 | H33 | 179.5° | 180.0° |
| C36 | C35 | C34 | H31 | 180.0° | 180.0° |
| C35 | C36 | C37 | H34 | 179.4° | 180.0° |
| O27 | C25 | N24 | C4 | 0.5° | 5.0° |
| O27 | C25 | N24 | H26 | 179.5° | 175.0° |
| C25 | N24 | C4 | H26 | 180.0° | 179.9° |
| C25 | N24 | C4 | C3 | 161.2° | 57.3° |
| C25 | N24 | C4 | C5 | 21.3° | 122.9° |
| N24 | C4 | C3 | C5 | 177.7° | 179.7° |
| N24 | C4 | C3 | C2 | 179.2° | 179.8° |
| N24 | C4 | C5 | N6 | 179.0° | 179.7° |
| N24 | C4 | C5 | H1 | 1.0° | 0.2° |
| N24 | C4 | C3 | H24 | 0.8° | 0.3° |
| C23 | N21 | C22 | C20 | 127.4° | 124.0° |
| C23 | N21 | C20 | C19 | 135.9° | 149.2° |
| C23 | N21 | C22 | H3 | 180.0° | 61.5° |
| C23 | N21 | C22 | H4 | 60.0° | 178.5° |
| C23 | N21 | C22 | H5 | 60.0° | 58.5° |
| N21 | C23 | H6 | H7 | 120.0° | 120.1° |
| N21 | C23 | H6 | H8 | 120.0° | 120.0° |
| N21 | C23 | H7 | H8 | 120.0° | 120.0° |
| C23 | N21 | C20 | H13 | 104.0° | 29.1° |
| C23 | N21 | C20 | H14 | 15.8° | 90.9° |
| C4 | C3 | C2 | H24 | 180.0° | 180.0° |
| C3 | C4 | C5 | N6 | 3.4° | 0.0° |
| C4 | C3 | C2 | C8 | 176.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.8° | 0.1° |
| C3 | C4 | C5 | H1 | 176.6° | 180.0° |
| C3 | C4 | N24 | H26 | 18.8° | 122.6° |
| C5 | C4 | C3 | C2 | 1.6° | 0.0° |
| C4 | C5 | N6 | H1 | 180.0° | 179.9° |
| C4 | C5 | N6 | C1 | 4.3° | 0.1° |
| C5 | C4 | C3 | H24 | 178.4° | 180.0° |
| C4 | C5 | N6 | H25 | 175.7° | 180.0° |
| C5 | C4 | N24 | H26 | 158.7° | 57.1° |
| C22 | N21 | C20 | C19 | 96.3° | 86.9° |
| N21 | C22 | H3 | H4 | 120.0° | 120.0° |
| N21 | C22 | H3 | H5 | 120.0° | 120.0° |
| N21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C22 | N21 | C23 | H6 | 180.0° | 64.9° |
| C22 | N21 | C23 | H7 | 60.0° | 175.0° |
| C22 | N21 | C23 | H8 | 60.0° | 55.0° |
| C22 | N21 | C20 | H13 | 23.9° | 153.1° |
| C22 | N21 | C20 | H14 | 143.6° | 33.1° |
| N21 | C20 | C19 | C18 | 46.7° | 55.7° |
| N21 | C20 | C19 | H13 | 120.2° | 120.0° |
| N21 | C20 | C19 | H14 | 120.1° | 120.0° |
| N21 | C20 | C19 | C40 | 73.8° | 175.7° |
| N21 | C20 | C19 | C39 | 161.8° | 64.3° |
| C20 | N21 | C22 | H3 | 52.6° | 174.5° |
| C20 | N21 | C22 | H4 | 172.6° | 54.6° |
| C20 | N21 | C22 | H5 | 67.4° | 65.4° |
| C20 | N21 | C23 | H6 | 51.7° | 59.0° |
| C20 | N21 | C23 | H7 | 68.3° | 61.0° |
| C20 | N21 | C23 | H8 | 171.7° | 179.0° |
| N21 | C20 | H13 | H14 | 119.6° | 120.0° |
| C3 | C2 | C8 | C10 | 8.8° | 115.3° |
| C3 | C2 | C8 | C1 | 177.7° | 179.9° |
| C3 | C2 | C8 | N9 | 166.5° | 65.1° |
| C3 | C2 | C1 | N6 | 1.7° | 0.0° |
| C3 | C2 | C1 | O7 | 179.2° | 179.9° |
| C5 | N6 | C1 | C2 | 3.4° | 0.0° |
| C5 | N6 | C1 | H25 | 180.0° | 179.9° |
| C5 | N6 | C1 | O7 | 177.5° | 179.9° |
| C8 | C10 | C11 | H2 | 180.0° | 180.0° |
| C10 | C8 | C2 | N9 | 175.3° | 179.7° |
| C10 | C8 | C2 | C1 | 173.5° | 64.6° |
| C8 | C10 | C11 | C16 | 177.4° | 180.0° |
| C8 | C10 | C11 | C12 | 1.7° | 0.1° |
| C10 | C8 | N9 | C12 | 1.9° | 0.0° |
| C10 | C8 | N9 | H23 | 178.0° | 180.0° |
| C11 | C10 | C8 | C2 | 178.1° | 179.8° |
| C10 | C11 | C16 | C12 | 178.9° | 179.9° |
| C10 | C11 | C16 | C15 | 179.8° | 180.0° |
| C11 | C10 | C8 | N9 | 2.2° | 0.1° |
| C10 | C11 | C12 | N9 | 0.5° | 0.1° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | C16 | H11 | 0.2° | 0.1° |
| C8 | C2 | C1 | N6 | 176.1° | 180.0° |
| C8 | C2 | C1 | O7 | 3.0° | 0.1° |
| C2 | C8 | N9 | C12 | 178.2° | 179.7° |
| C2 | C8 | C10 | H2 | 1.9° | 0.3° |
| C2 | C8 | N9 | H23 | 1.8° | 0.3° |
| C8 | C2 | C3 | H24 | 3.1° | 0.0° |
| C1 | C2 | C8 | N9 | 11.2° | 115.0° |
| C2 | C1 | N6 | O7 | 179.1° | 179.9° |
| C1 | C2 | C3 | H24 | 179.2° | 180.0° |
| C2 | C1 | N6 | H25 | 176.6° | 180.0° |
| C11 | C16 | C15 | H11 | 180.0° | 179.9° |
| C11 | C16 | C15 | O17 | 178.4° | 180.0° |
| C11 | C16 | C15 | C14 | 0.4° | 0.1° |
| C16 | C11 | C12 | N9 | 178.7° | 180.0° |
| C16 | C11 | C12 | C13 | 0.3° | 0.1° |
| C16 | C11 | C10 | H2 | 2.6° | 0.1° |
| C15 | C16 | C11 | C12 | 0.9° | 0.1° |
| C16 | C15 | O17 | C18 | 11.7° | 179.9° |
| C16 | C15 | O17 | C14 | 178.8° | 179.9° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| C16 | C15 | C14 | H21 | 179.2° | 180.0° |
| C8 | N9 | C12 | C11 | 0.9° | 0.0° |
| C8 | N9 | C12 | H23 | 180.0° | 180.0° |
| C8 | N9 | C12 | C13 | 178.0° | 180.0° |
| N9 | C8 | C10 | H2 | 177.8° | 180.0° |
| C11 | C12 | N9 | C13 | 178.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.1° |
| C12 | C11 | C10 | H2 | 178.3° | 180.0° |
| C12 | C11 | C16 | H11 | 179.1° | 180.0° |
| C11 | C12 | C13 | H22 | 179.2° | 179.9° |
| C11 | C12 | N9 | H23 | 179.1° | 180.0° |
| O17 | C18 | C19 | H9 | 119.0° | 120.0° |
| O17 | C18 | C19 | H10 | 119.0° | 120.1° |
| O17 | C18 | C19 | C20 | 152.7° | 180.0° |
| C18 | O17 | C15 | C14 | 169.5° | 0.0° |
| O17 | C18 | C19 | C40 | 32.5° | 60.1° |
| O17 | C18 | C19 | C39 | 88.8° | 60.0° |
| O17 | C18 | H9 | H10 | 122.9° | 119.9° |
| C18 | C19 | C20 | C40 | 120.6° | 120.0° |
| C18 | C19 | C20 | C39 | 115.1° | 120.0° |
| C19 | C18 | O17 | C15 | 139.8° | 180.0° |
| C18 | C19 | C40 | C39 | 118.0° | 120.0° |
| C19 | C18 | H9 | H10 | 122.9° | 120.1° |
| C18 | C19 | C20 | H13 | 166.9° | 64.3° |
| C18 | C19 | C20 | H14 | 73.4° | 175.7° |
| C18 | C19 | C39 | H15 | 180.0° | 71.0° |
| C18 | C19 | C39 | H16 | 60.0° | 169.0° |
| C18 | C19 | C39 | H17 | 60.0° | 49.0° |
| C18 | C19 | C40 | H18 | 180.0° | 60.0° |
| C18 | C19 | C40 | H19 | 60.0° | 180.0° |
| C18 | C19 | C40 | H20 | 60.0° | 60.0° |
| C1 | N6 | C5 | H1 | 175.7° | 180.0° |
| C20 | C19 | C40 | C39 | 124.2° | 120.0° |
| C20 | C19 | C18 | H9 | 33.7° | 60.0° |
| C20 | C19 | C18 | H10 | 88.3° | 59.9° |
| C19 | C20 | H13 | H14 | 119.6° | 120.0° |
| C20 | C19 | C39 | H15 | 64.7° | 168.9° |
| C20 | C19 | C39 | H16 | 55.3° | 49.0° |
| C20 | C19 | C39 | H17 | 175.3° | 71.1° |
| C20 | C19 | C40 | H18 | 62.2° | 60.0° |
| C20 | C19 | C40 | H19 | 177.8° | 60.0° |
| C20 | C19 | C40 | H20 | 57.8° | 180.0° |
| O7 | C1 | N6 | H25 | 2.5° | 0.1° |
| O17 | C15 | C14 | C13 | 179.6° | 180.0° |
| C15 | O17 | C18 | H9 | 101.2° | 60.0° |
| C15 | O17 | C18 | H10 | 20.8° | 59.9° |
| O17 | C15 | C16 | H11 | 1.7° | 0.1° |
| O17 | C15 | C14 | H21 | 0.4° | 0.1° |
| C15 | C14 | C13 | C12 | 1.4° | 0.1° |
| C15 | C14 | C13 | H21 | 180.0° | 179.9° |
| C14 | C15 | C16 | H11 | 179.6° | 180.0° |
| C15 | C14 | C13 | H22 | 178.6° | 179.9° |
| N9 | C12 | C13 | C14 | 179.6° | 180.0° |
| N9 | C12 | C13 | H22 | 0.4° | 0.0° |
| C12 | C13 | C14 | H22 | 180.0° | 180.0° |
| C12 | C13 | C14 | H21 | 178.6° | 180.0° |
| C13 | C12 | N9 | H23 | 2.0° | 0.0° |
| C40 | C19 | C18 | H9 | 86.5° | 180.0° |
| C40 | C19 | C18 | H10 | 151.5° | 60.0° |
| C40 | C19 | C20 | H13 | 46.3° | 55.6° |
| C40 | C19 | C20 | H14 | 166.0° | 64.4° |
| C40 | C19 | C39 | H15 | 59.1° | 49.0° |
| C40 | C19 | C39 | H16 | 179.0° | 71.0° |
| C40 | C19 | C39 | H17 | 61.0° | 169.0° |
| C19 | C40 | H18 | H19 | 120.0° | 120.0° |
| C19 | C40 | H18 | H20 | 120.0° | 120.0° |
| C19 | C40 | H19 | H20 | 120.0° | 120.0° |
| C39 | C19 | C18 | H9 | 152.2° | 60.0° |
| C39 | C19 | C18 | H10 | 30.2° | 180.0° |
| C39 | C19 | C20 | H13 | 78.0° | 175.6° |
| C39 | C19 | C20 | H14 | 41.7° | 55.6° |
| C19 | C39 | H15 | H16 | 120.0° | 120.0° |
| C19 | C39 | H15 | H17 | 120.0° | 120.0° |
| C19 | C39 | H16 | H17 | 120.0° | 120.0° |
| C39 | C19 | C40 | H18 | 62.0° | 180.0° |
| C39 | C19 | C40 | H19 | 58.0° | 60.0° |
| C39 | C19 | C40 | H20 | 178.0° | 60.0° |
| H1 | C5 | N6 | H25 | 4.3° | 0.1° |
| H3 | C22 | H4 | H5 | 120.0° | 120.1° |
| H6 | C23 | H7 | H8 | 119.9° | 119.9° |
| H15 | C39 | H16 | H17 | 120.0° | 120.0° |
| H18 | C40 | H19 | H20 | 120.0° | 120.0° |
| H21 | C14 | C13 | H22 | 1.4° | 0.0° |
| H31 | C34 | C35 | H32 | 0.0° | 0.0° |
| H32 | C35 | C36 | H33 | 0.5° | 0.0° |
| H33 | C36 | C37 | H34 | 0.6° | 0.0° |
| H34 | C37 | C38 | H35 | 0.3° | 0.0° |
