B10
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.40Å | 1.39Å | |
| N1 | C24 | sing | 1.35Å | 1.36Å | |
| C2 | C10 | doub | 1.39Å | 1.44Å | Aromatic |
| C2 | C55 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.46Å | Aromatic |
| C12 | C19 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.56Å | |
| C55 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C55 | O3 | sing | 1.36Å | 1.41Å | |
| C18 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | N2 | sing | 1.40Å | 1.36Å | |
| O3 | C13 | sing | 1.43Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.56Å | |
| C14 | C17 | sing | 1.53Å | 1.55Å | |
| C24 | O1 | doub | 1.22Å | 1.24Å | |
| C24 | N4 | sing | 1.35Å | 1.38Å | |
| N4 | C25 | sing | 1.40Å | 1.40Å | |
| C25 | C4 | doub | 1.41Å | 1.46Å | Aromatic |
| C25 | C8 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.51Å | Aromatic |
| C4 | C26 | sing | 1.40Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.42Å | 1.47Å | Aromatic |
| C5 | C29 | sing | 1.40Å | 1.45Å | Aromatic |
| C6 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C11 | sing | 1.48Å | 1.51Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.43Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.44Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.44Å | Aromatic |
| C30 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C33 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | N3 | sing | 1.32Å | 1.37Å | Aromatic |
| C7 | C3 | sing | 1.51Å | 1.51Å | |
| N3 | C9 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | S1 | sing | 1.66Å | 1.64Å | |
| S1 | O6 | doub | 1.42Å | 1.43Å | |
| S1 | O7 | doub | 1.42Å | 1.44Å | |
| S1 | C23 | sing | 1.81Å | 1.78Å | |
| C3 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C31 | sing | 1.47Å | 1.50Å | |
| N5 | C20 | sing | 1.47Å | 1.49Å | |
| C31 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C32 | sing | 1.53Å | 1.55Å | |
| C21 | O2 | sing | 1.43Å | 1.44Å | |
| C32 | O2 | sing | 1.43Å | 1.44Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C24 | 121.2° | 120.0° |
| N1 | C2 | C10 | 124.6° | 120.0° |
| N1 | C2 | C55 | 116.2° | 120.1° |
| C2 | N1 | HN1 | 119.4° | 120.0° |
| N1 | C24 | O1 | 120.5° | 120.0° |
| N1 | C24 | N4 | 116.4° | 120.0° |
| C24 | N1 | HN1 | 119.4° | 120.0° |
| C10 | C2 | C55 | 119.2° | 119.9° |
| C2 | C10 | C12 | 120.5° | 120.1° |
| C2 | C10 | H10 | 119.8° | 120.0° |
| C2 | C55 | C18 | 120.9° | 119.8° |
| C2 | C55 | O3 | 118.8° | 120.1° |
| C10 | C12 | C19 | 118.1° | 120.2° |
| C10 | C12 | C14 | 121.0° | 119.9° |
| C12 | C10 | H10 | 119.7° | 119.9° |
| C19 | C12 | C14 | 120.9° | 119.9° |
| C12 | C19 | C18 | 121.4° | 120.1° |
| C12 | C19 | H19 | 119.3° | 120.0° |
| C12 | C14 | C15 | 108.0° | 109.4° |
| C12 | C14 | C16 | 113.8° | 109.5° |
| C12 | C14 | C17 | 110.6° | 109.5° |
| C18 | C55 | O3 | 120.3° | 120.1° |
| C55 | C18 | C19 | 119.9° | 119.9° |
| C55 | C18 | N2 | 120.9° | 120.1° |
| C55 | O3 | C13 | 114.1° | 117.1° |
| C19 | C18 | N2 | 119.1° | 120.1° |
| C18 | C19 | H19 | 119.3° | 119.9° |
| C18 | N2 | S1 | 122.1° | 120.0° |
| C18 | N2 | HN2 | 105.4° | 120.0° |
| O3 | C13 | H13 | 109.5° | 109.4° |
| O3 | C13 | H13A | 109.5° | 109.5° |
| O3 | C13 | H13B | 109.4° | 109.5° |
| C15 | C14 | C16 | 107.1° | 109.5° |
| C15 | C14 | C17 | 110.6° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.5° | 109.4° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C16 | C14 | C17 | 106.8° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C14 | C16 | H16A | 109.5° | 109.5° |
| C14 | C16 | H16B | 109.5° | 109.5° |
| C14 | C17 | H17 | 109.5° | 109.5° |
| C14 | C17 | H17A | 109.5° | 109.5° |
| C14 | C17 | H17B | 109.4° | 109.5° |
| O1 | C24 | N4 | 123.1° | 120.0° |
| C24 | N4 | C25 | 125.0° | 120.0° |
| C24 | N4 | HN4 | 117.5° | 120.0° |
| N4 | C25 | C4 | 122.1° | 120.1° |
| N4 | C25 | C8 | 120.1° | 120.1° |
| C25 | N4 | HN4 | 117.5° | 120.0° |
| C4 | C25 | C8 | 117.8° | 119.8° |
| C25 | C4 | C5 | 120.1° | 119.5° |
| C25 | C4 | C26 | 121.0° | 121.2° |
| C25 | C8 | C30 | 122.7° | 120.9° |
| C25 | C8 | H8 | 118.6° | 119.5° |
| C5 | C4 | C26 | 118.8° | 119.3° |
| C4 | C5 | C6 | 117.8° | 119.4° |
| C4 | C5 | C29 | 118.7° | 119.4° |
| C4 | C26 | C27 | 120.9° | 119.7° |
| C4 | C26 | H26 | 119.6° | 120.1° |
| C6 | C5 | C29 | 123.5° | 121.2° |
| C5 | C6 | C30 | 119.9° | 119.6° |
| C5 | C6 | C11 | 125.9° | 120.2° |
| C5 | C29 | C28 | 120.3° | 119.7° |
| C5 | C29 | H29 | 119.8° | 120.2° |
| C30 | C6 | C11 | 114.2° | 120.2° |
| C6 | C30 | C8 | 121.7° | 120.8° |
| C6 | C30 | H30 | 119.2° | 119.6° |
| C6 | C11 | C1 | 122.1° | 120.6° |
| C6 | C11 | C9 | 119.1° | 120.6° |
| C26 | C27 | C28 | 120.5° | 120.9° |
| C27 | C26 | H26 | 119.5° | 120.2° |
| C26 | C27 | H27 | 119.8° | 119.5° |
| C27 | C28 | C29 | 120.8° | 120.9° |
| C28 | C27 | H27 | 119.8° | 119.6° |
| C27 | C28 | H28 | 119.6° | 119.5° |
| C29 | C28 | H28 | 119.6° | 119.6° |
| C28 | C29 | H29 | 119.9° | 120.1° |
| C8 | C30 | H30 | 119.2° | 119.6° |
| C30 | C8 | H8 | 118.6° | 119.6° |
| C1 | C11 | C9 | 118.8° | 118.9° |
| C11 | C1 | C33 | 120.5° | 118.3° |
| C11 | C1 | H1 | 119.8° | 120.9° |
| C11 | C9 | N3 | 119.1° | 120.6° |
| C11 | C9 | H9 | 120.4° | 119.7° |
| C1 | C33 | C7 | 117.0° | 119.3° |
| C33 | C1 | H1 | 119.7° | 120.8° |
| C1 | C33 | H33 | 121.5° | 120.3° |
| C33 | C7 | N3 | 120.8° | 121.1° |
| C33 | C7 | C3 | 120.5° | 119.5° |
| C7 | C33 | H33 | 121.5° | 120.4° |
| N3 | C7 | C3 | 118.7° | 119.4° |
| C7 | N3 | C9 | 123.8° | 121.8° |
| C7 | C3 | N5 | 111.8° | 109.5° |
| C7 | C3 | H3 | 108.7° | 109.4° |
| C7 | C3 | H3A | 108.2° | 109.4° |
| N3 | C9 | H9 | 120.5° | 119.7° |
| N2 | S1 | O6 | 104.6° | 104.3° |
| N2 | S1 | O7 | 103.8° | 104.2° |
| N2 | S1 | C23 | 114.8° | 104.5° |
| S1 | N2 | HN2 | 105.4° | 120.0° |
| O6 | S1 | O7 | 117.7° | 121.0° |
| O6 | S1 | C23 | 108.4° | 110.6° |
| O7 | S1 | C23 | 107.7° | 110.6° |
| S1 | C23 | H23 | 109.5° | 109.5° |
| S1 | C23 | H23A | 109.4° | 109.5° |
| S1 | C23 | H23B | 109.5° | 109.5° |
| C3 | N5 | C31 | 107.5° | 111.0° |
| C3 | N5 | C20 | 108.4° | 111.0° |
| N5 | C3 | H3 | 108.7° | 109.5° |
| N5 | C3 | H3A | 108.2° | 109.5° |
| C31 | N5 | C20 | 111.9° | 110.8° |
| N5 | C31 | C21 | 111.0° | 109.2° |
| N5 | C31 | H31 | 108.9° | 109.5° |
| N5 | C31 | H31A | 108.6° | 109.5° |
| N5 | C20 | C32 | 110.8° | 109.3° |
| N5 | C20 | H20 | 109.0° | 109.5° |
| N5 | C20 | H20A | 108.7° | 109.5° |
| C31 | C21 | O2 | 109.9° | 109.3° |
| C21 | C31 | H31 | 109.0° | 109.5° |
| C21 | C31 | H31A | 108.6° | 109.5° |
| C31 | C21 | H21 | 109.3° | 109.5° |
| C31 | C21 | H21A | 109.3° | 109.5° |
| C20 | C32 | O2 | 109.8° | 109.3° |
| C32 | C20 | H20 | 109.1° | 109.5° |
| C32 | C20 | H20A | 108.7° | 109.5° |
| C20 | C32 | H32 | 109.3° | 109.4° |
| C20 | C32 | H32A | 109.3° | 109.5° |
| C21 | O2 | C32 | 112.8° | 113.7° |
| O2 | C21 | H21 | 109.3° | 109.5° |
| O2 | C21 | H21A | 109.2° | 109.5° |
| O2 | C32 | H32 | 109.4° | 109.5° |
| O2 | C32 | H32A | 109.3° | 109.5° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.4° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| H3 | C3 | H3A | 111.3° | 109.4° |
| H31 | C31 | H31A | 110.7° | 109.6° |
| H20 | C20 | H20A | 110.5° | 109.5° |
| H21 | C21 | H21A | 109.8° | 109.6° |
| H32 | C32 | H32A | 109.8° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C24 | HN1 | 180.0° | 179.7° |
| N1 | C2 | C10 | C55 | 179.5° | 179.6° |
| N1 | C2 | C10 | C12 | 179.3° | 180.0° |
| N1 | C2 | C55 | C18 | 179.4° | 180.0° |
| N1 | C2 | C55 | O3 | 0.6° | 0.1° |
| C2 | N1 | C24 | O1 | 1.7° | 5.7° |
| C2 | N1 | C24 | N4 | 176.9° | 174.4° |
| N1 | C2 | C10 | H10 | 0.7° | 0.1° |
| C24 | N1 | C2 | C10 | 56.9° | 23.9° |
| C24 | N1 | C2 | C55 | 122.7° | 156.4° |
| N1 | C24 | O1 | N4 | 178.6° | 179.9° |
| N1 | C24 | N4 | C25 | 172.1° | 175.7° |
| N1 | C24 | N4 | HN4 | 7.9° | 4.2° |
| C2 | C10 | C12 | H10 | 180.0° | 179.9° |
| C2 | C10 | C12 | C19 | 0.1° | 0.0° |
| C2 | C10 | C12 | C14 | 179.7° | 179.9° |
| C10 | C2 | C55 | C18 | 0.2° | 0.4° |
| C10 | C2 | C55 | O3 | 179.8° | 179.7° |
| C10 | C2 | N1 | HN1 | 123.1° | 156.3° |
| C55 | C2 | C10 | C12 | 0.2° | 0.3° |
| C2 | C55 | C18 | O3 | 180.0° | 179.9° |
| C2 | C55 | C18 | C19 | 0.1° | 0.1° |
| C2 | C55 | C18 | N2 | 179.8° | 180.0° |
| C2 | C55 | O3 | C13 | 98.2° | 90.0° |
| C55 | C2 | N1 | HN1 | 57.3° | 23.3° |
| C55 | C2 | C10 | H10 | 179.8° | 179.8° |
| C10 | C12 | C19 | C14 | 179.8° | 179.9° |
| C10 | C12 | C19 | C18 | 0.0° | 0.3° |
| C10 | C12 | C14 | C15 | 62.9° | 0.0° |
| C10 | C12 | C14 | C16 | 178.4° | 120.0° |
| C10 | C12 | C14 | C17 | 58.3° | 120.0° |
| C10 | C12 | C19 | H19 | 180.0° | 180.0° |
| C12 | C19 | C18 | C55 | 0.0° | 0.2° |
| C12 | C19 | C18 | H19 | 180.0° | 179.7° |
| C12 | C19 | C18 | N2 | 179.9° | 179.7° |
| C19 | C12 | C14 | C15 | 116.9° | 179.9° |
| C19 | C12 | C14 | C16 | 1.8° | 60.0° |
| C19 | C12 | C14 | C17 | 121.9° | 60.0° |
| C19 | C12 | C10 | H10 | 179.9° | 179.9° |
| C14 | C12 | C19 | C18 | 179.8° | 179.8° |
| C12 | C14 | C15 | C16 | 122.9° | 120.0° |
| C12 | C14 | C15 | C17 | 121.2° | 120.0° |
| C12 | C14 | C16 | C17 | 122.3° | 120.0° |
| C14 | C12 | C10 | H10 | 0.3° | 0.0° |
| C14 | C12 | C19 | H19 | 0.2° | 0.0° |
| C12 | C14 | C15 | H15 | 42.8° | 60.0° |
| C12 | C14 | C15 | H15A | 77.2° | 180.0° |
| C12 | C14 | C15 | H15B | 162.8° | 60.0° |
| C12 | C14 | C16 | H16 | 94.8° | 60.0° |
| C12 | C14 | C16 | H16A | 145.2° | 180.0° |
| C12 | C14 | C16 | H16B | 25.1° | 60.0° |
| C12 | C14 | C17 | H17 | 104.8° | 60.0° |
| C12 | C14 | C17 | H17A | 15.2° | 180.0° |
| C12 | C14 | C17 | H17B | 135.2° | 60.0° |
| C55 | C18 | C19 | N2 | 179.9° | 179.9° |
| C18 | C55 | O3 | C13 | 81.7° | 89.9° |
| C55 | C18 | N2 | S1 | 73.6° | 144.5° |
| C55 | C18 | C19 | H19 | 180.0° | 180.0° |
| C55 | C18 | N2 | HN2 | 46.4° | 35.5° |
| O3 | C55 | C18 | C19 | 179.9° | 180.0° |
| O3 | C55 | C18 | N2 | 0.2° | 0.1° |
| C55 | O3 | C13 | H13 | 119.4° | 60.0° |
| C55 | O3 | C13 | H13A | 120.7° | 59.9° |
| C55 | O3 | C13 | H13B | 0.6° | 180.0° |
| C19 | C18 | N2 | S1 | 106.5° | 35.4° |
| C19 | C18 | N2 | HN2 | 133.5° | 144.6° |
| C18 | N2 | S1 | HN2 | 120.0° | 180.0° |
| C18 | N2 | S1 | O6 | 127.4° | 175.8° |
| C18 | N2 | S1 | O7 | 108.6° | 56.4° |
| C18 | N2 | S1 | C23 | 8.7° | 59.7° |
| N2 | C18 | C19 | H19 | 0.1° | 0.0° |
| O3 | C13 | H13 | H13A | 120.0° | 119.9° |
| O3 | C13 | H13 | H13B | 120.0° | 120.0° |
| O3 | C13 | H13A | H13B | 120.0° | 120.1° |
| C15 | C14 | C16 | C17 | 118.5° | 120.0° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 120.1° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 24.4° | 180.0° |
| C15 | C14 | C16 | H16A | 95.6° | 60.0° |
| C15 | C14 | C16 | H16B | 144.4° | 60.0° |
| C15 | C14 | C17 | H17 | 14.8° | 60.0° |
| C15 | C14 | C17 | H17A | 134.8° | 60.0° |
| C15 | C14 | C17 | H17B | 105.2° | 180.0° |
| C16 | C14 | C15 | H15 | 80.0° | 60.0° |
| C16 | C14 | C15 | H15A | 159.9° | 60.0° |
| C16 | C14 | C15 | H15B | 40.0° | 180.0° |
| C14 | C16 | H16 | H16A | 120.0° | 120.0° |
| C14 | C16 | H16 | H16B | 120.0° | 120.0° |
| C14 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C14 | C17 | H17 | 131.0° | 180.0° |
| C16 | C14 | C17 | H17A | 109.1° | 60.0° |
| C16 | C14 | C17 | H17B | 10.9° | 60.0° |
| C17 | C14 | C15 | H15 | 164.0° | 180.0° |
| C17 | C14 | C15 | H15A | 44.0° | 60.0° |
| C17 | C14 | C15 | H15B | 76.0° | 59.9° |
| C17 | C14 | C16 | H16 | 142.9° | 60.0° |
| C17 | C14 | C16 | H16A | 22.9° | 60.0° |
| C17 | C14 | C16 | H16B | 97.1° | 180.0° |
| C14 | C17 | H17 | H17A | 120.0° | 120.0° |
| C14 | C17 | H17 | H17B | 120.0° | 120.0° |
| C14 | C17 | H17A | H17B | 120.0° | 120.0° |
| O1 | C24 | N4 | C25 | 9.3° | 4.3° |
| O1 | C24 | N1 | HN1 | 178.3° | 174.1° |
| O1 | C24 | N4 | HN4 | 170.7° | 175.7° |
| C24 | N4 | C25 | HN4 | 180.0° | 179.9° |
| C24 | N4 | C25 | C4 | 139.1° | 145.1° |
| C24 | N4 | C25 | C8 | 41.0° | 34.6° |
| N4 | C24 | N1 | HN1 | 3.1° | 5.9° |
| N4 | C25 | C4 | C8 | 179.8° | 179.7° |
| N4 | C25 | C4 | C5 | 179.9° | 180.0° |
| N4 | C25 | C4 | C26 | 0.0° | 0.1° |
| N4 | C25 | C8 | C30 | 179.5° | 179.7° |
| N4 | C25 | C8 | H8 | 0.5° | 0.0° |
| C25 | C4 | C5 | C26 | 179.9° | 179.9° |
| C25 | C4 | C5 | C6 | 0.3° | 0.1° |
| C25 | C4 | C5 | C29 | 180.0° | 180.0° |
| C25 | C4 | C26 | C27 | 179.9° | 179.9° |
| C4 | C25 | C8 | C30 | 0.7° | 0.6° |
| C4 | C25 | N4 | HN4 | 40.9° | 34.8° |
| C25 | C4 | C26 | H26 | 0.1° | 0.1° |
| C4 | C25 | C8 | H8 | 179.3° | 179.7° |
| C8 | C25 | C4 | C5 | 0.3° | 0.3° |
| C8 | C25 | C4 | C26 | 179.8° | 179.8° |
| C25 | C8 | C30 | C6 | 0.4° | 0.6° |
| C25 | C8 | C30 | H8 | 180.0° | 179.7° |
| C8 | C25 | N4 | HN4 | 139.0° | 145.5° |
| C25 | C8 | C30 | H30 | 179.6° | 179.7° |
| C4 | C5 | C6 | C29 | 179.6° | 180.0° |
| C4 | C5 | C6 | C30 | 0.6° | 0.0° |
| C4 | C5 | C6 | C11 | 178.7° | 180.0° |
| C5 | C4 | C26 | C27 | 0.2° | 0.0° |
| C4 | C5 | C29 | C28 | 0.1° | 0.0° |
| C5 | C4 | C26 | H26 | 179.8° | 180.0° |
| C4 | C5 | C29 | H29 | 179.9° | 179.9° |
| C26 | C4 | C5 | C6 | 179.6° | 180.0° |
| C26 | C4 | C5 | C29 | 0.1° | 0.1° |
| C4 | C26 | C27 | H26 | 180.0° | 180.0° |
| C4 | C26 | C27 | C28 | 0.0° | 0.0° |
| C4 | C26 | C27 | H27 | 180.0° | 179.9° |
| C5 | C6 | C30 | C11 | 179.4° | 179.9° |
| C6 | C5 | C29 | C28 | 179.7° | 180.0° |
| C5 | C6 | C30 | C8 | 0.3° | 0.3° |
| C5 | C6 | C11 | C1 | 112.0° | 130.0° |
| C5 | C6 | C11 | C9 | 69.3° | 50.2° |
| C6 | C5 | C29 | H29 | 0.3° | 0.0° |
| C5 | C6 | C30 | H30 | 179.7° | 179.9° |
| C29 | C5 | C6 | C30 | 179.7° | 180.0° |
| C29 | C5 | C6 | C11 | 1.0° | 0.0° |
| C5 | C29 | C28 | C27 | 0.2° | 0.0° |
| C5 | C29 | C28 | H29 | 180.0° | 180.0° |
| C5 | C29 | C28 | H28 | 179.8° | 179.9° |
| C6 | C30 | C8 | H30 | 180.0° | 179.8° |
| C30 | C6 | C11 | C1 | 68.7° | 50.1° |
| C30 | C6 | C11 | C9 | 110.0° | 129.7° |
| C6 | C30 | C8 | H8 | 179.6° | 179.7° |
| C11 | C6 | C30 | C8 | 179.1° | 179.8° |
| C6 | C11 | C1 | C9 | 178.7° | 179.8° |
| C6 | C11 | C1 | C33 | 178.8° | 180.0° |
| C6 | C11 | C9 | N3 | 179.0° | 179.7° |
| C11 | C6 | C30 | H30 | 0.9° | 0.0° |
| C6 | C11 | C1 | H1 | 1.2° | 0.1° |
| C6 | C11 | C9 | H9 | 1.0° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.2° | 0.1° |
| C26 | C27 | C28 | H28 | 179.8° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | H26 | 180.0° | 179.9° |
| C27 | C28 | C29 | H29 | 179.8° | 180.0° |
| C29 | C28 | C27 | H27 | 179.8° | 179.9° |
| C11 | C1 | C33 | H1 | 180.0° | 179.9° |
| C11 | C1 | C33 | C7 | 0.1° | 0.1° |
| C1 | C11 | C9 | N3 | 0.3° | 0.6° |
| C11 | C1 | C33 | H33 | 179.9° | 180.0° |
| C1 | C11 | C9 | H9 | 179.7° | 179.8° |
| C9 | C11 | C1 | C33 | 0.2° | 0.2° |
| C11 | C9 | N3 | C7 | 0.2° | 0.6° |
| C11 | C9 | N3 | H9 | 180.0° | 179.6° |
| C9 | C11 | C1 | H1 | 179.8° | 179.7° |
| C1 | C33 | C7 | H33 | 180.0° | 179.9° |
| C1 | C33 | C7 | N3 | 0.0° | 0.1° |
| C1 | C33 | C7 | C3 | 179.4° | 180.0° |
| C33 | C7 | N3 | C3 | 179.4° | 179.9° |
| C33 | C7 | N3 | C9 | 0.1° | 0.3° |
| C33 | C7 | C3 | N5 | 72.2° | 95.0° |
| C7 | C33 | C1 | H1 | 179.9° | 180.0° |
| C33 | C7 | C3 | H3 | 47.8° | 145.0° |
| C33 | C7 | C3 | H3A | 168.8° | 25.1° |
| N3 | C7 | C3 | N5 | 107.3° | 85.0° |
| N3 | C7 | C33 | H33 | 179.9° | 180.0° |
| C7 | N3 | C9 | H9 | 179.8° | 179.8° |
| N3 | C7 | C3 | H3 | 132.7° | 35.0° |
| N3 | C7 | C3 | H3A | 11.8° | 155.0° |
| C3 | C7 | N3 | C9 | 179.3° | 179.7° |
| C7 | C3 | N5 | H3 | 120.0° | 120.0° |
| C7 | C3 | N5 | H3A | 119.0° | 120.0° |
| C7 | C3 | N5 | C31 | 87.7° | 170.0° |
| C7 | C3 | N5 | C20 | 151.2° | 66.4° |
| C3 | C7 | C33 | H33 | 0.6° | 0.1° |
| C7 | C3 | H3 | H3A | 119.0° | 119.9° |
| N2 | S1 | O6 | O7 | 114.5° | 116.7° |
| N2 | S1 | O6 | C23 | 123.0° | 111.8° |
| N2 | S1 | O7 | C23 | 122.2° | 111.7° |
| N2 | S1 | C23 | H23 | 20.4° | 60.0° |
| N2 | S1 | C23 | H23A | 140.4° | 180.0° |
| N2 | S1 | C23 | H23B | 99.6° | 60.0° |
| O6 | S1 | O7 | C23 | 122.9° | 131.6° |
| O6 | S1 | N2 | HN2 | 112.6° | 4.2° |
| O6 | S1 | C23 | H23 | 137.0° | 51.6° |
| O6 | S1 | C23 | H23A | 103.0° | 68.3° |
| O6 | S1 | C23 | H23B | 17.0° | 171.7° |
| O7 | S1 | N2 | HN2 | 11.4° | 123.6° |
| O7 | S1 | C23 | H23 | 94.7° | 171.6° |
| O7 | S1 | C23 | H23A | 25.3° | 68.4° |
| O7 | S1 | C23 | H23B | 145.3° | 51.6° |
| C23 | S1 | N2 | HN2 | 128.7° | 120.3° |
| S1 | C23 | H23 | H23A | 120.0° | 120.0° |
| S1 | C23 | H23 | H23B | 120.0° | 120.1° |
| S1 | C23 | H23A | H23B | 120.0° | 120.0° |
| C3 | N5 | C31 | C20 | 118.9° | 123.8° |
| C3 | N5 | C31 | C21 | 170.9° | 177.6° |
| C3 | N5 | C20 | C32 | 170.9° | 177.6° |
| N5 | C3 | H3 | H3A | 119.1° | 120.0° |
| C3 | N5 | C31 | H31 | 50.9° | 62.5° |
| C3 | N5 | C31 | H31A | 69.7° | 57.7° |
| C3 | N5 | C20 | H20 | 69.1° | 57.7° |
| C3 | N5 | C20 | H20A | 51.4° | 62.4° |
| N5 | C31 | C21 | H31 | 120.0° | 119.9° |
| N5 | C31 | C21 | H31A | 119.4° | 119.9° |
| C31 | N5 | C20 | C32 | 52.6° | 58.6° |
| N5 | C31 | C21 | O2 | 54.5° | 56.8° |
| C31 | N5 | C3 | H3 | 152.3° | 70.0° |
| C31 | N5 | C3 | H3A | 31.3° | 50.0° |
| N5 | C31 | H31 | H31A | 119.4° | 120.1° |
| C31 | N5 | C20 | H20 | 172.6° | 178.6° |
| C31 | N5 | C20 | H20A | 66.9° | 61.3° |
| N5 | C31 | C21 | H21 | 174.6° | 176.8° |
| N5 | C31 | C21 | H21A | 65.3° | 63.0° |
| C20 | N5 | C31 | C21 | 52.1° | 58.6° |
| N5 | C20 | C32 | H20 | 120.0° | 120.0° |
| N5 | C20 | C32 | H20A | 119.4° | 119.9° |
| N5 | C20 | C32 | O2 | 55.5° | 56.8° |
| C20 | N5 | C3 | H3 | 31.2° | 53.6° |
| C20 | N5 | C3 | H3A | 89.8° | 173.6° |
| C20 | N5 | C31 | H31 | 67.9° | 61.3° |
| C20 | N5 | C31 | H31A | 171.4° | 178.5° |
| N5 | C20 | H20 | H20A | 119.4° | 120.1° |
| N5 | C20 | C32 | H32 | 64.5° | 63.1° |
| N5 | C20 | C32 | H32A | 175.4° | 176.8° |
| C31 | C21 | O2 | H21 | 120.0° | 119.9° |
| C31 | C21 | O2 | H21A | 119.8° | 119.9° |
| C31 | C21 | O2 | C32 | 59.9° | 58.7° |
| C21 | C31 | H31 | H31A | 119.4° | 120.1° |
| C31 | C21 | H21 | H21A | 119.8° | 120.1° |
| C20 | C32 | O2 | C21 | 60.5° | 58.7° |
| C20 | C32 | O2 | H32 | 120.0° | 119.9° |
| C20 | C32 | O2 | H32A | 119.8° | 119.9° |
| C32 | C20 | H20 | H20A | 119.5° | 120.1° |
| C20 | C32 | H32 | H32A | 119.9° | 120.0° |
| O2 | C21 | C31 | H31 | 65.4° | 63.1° |
| O2 | C21 | C31 | H31A | 173.9° | 176.8° |
| O2 | C21 | H21 | H21A | 119.8° | 120.1° |
| C21 | O2 | C32 | H32 | 59.5° | 61.2° |
| C21 | O2 | C32 | H32A | 179.7° | 178.6° |
| O2 | C32 | C20 | H20 | 175.5° | 176.8° |
| O2 | C32 | C20 | H20A | 63.9° | 63.1° |
| C32 | O2 | C21 | H21 | 180.0° | 178.6° |
| C32 | O2 | C21 | H21A | 59.9° | 61.2° |
| O2 | C32 | H32 | H32A | 119.9° | 120.2° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.1° |
| H27 | C27 | C28 | H28 | 0.2° | 0.2° |
| H28 | C28 | C29 | H29 | 0.2° | 0.1° |
| H30 | C30 | C8 | H8 | 0.4° | 0.0° |
| H1 | C1 | C33 | H33 | 0.1° | 0.1° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H31 | C31 | C21 | H21 | 54.6° | 56.8° |
| H31 | C31 | C21 | H21A | 174.7° | 177.0° |
| H31A | C31 | C21 | H21 | 66.1° | 63.3° |
| H31A | C31 | C21 | H21A | 54.1° | 56.9° |
| H20 | C20 | C32 | H32 | 55.5° | 56.8° |
| H20 | C20 | C32 | H32A | 64.6° | 63.3° |
| H20A | C20 | C32 | H32 | 176.1° | 177.0° |
| H20A | C20 | C32 | H32A | 55.9° | 56.9° |
