359
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O1 | doub | 1.21Å | 1.23Å | |
| C14 | N5 | sing | 1.35Å | 1.37Å | |
| C14 | C5 | sing | 1.51Å | 1.56Å | |
| N5 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C18 | sing | 1.53Å | 1.52Å | |
| C15 | C20 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C19 | C2 | sing | 1.51Å | 1.51Å | |
| C20 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | N6 | sing | 1.35Å | 1.36Å | |
| N6 | C21 | sing | 1.47Å | 1.43Å | |
| C21 | C25 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.47Å | |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | N1 | doub | 1.30Å | 1.32Å | |
| C26 | N2 | sing | 1.38Å | 1.33Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | C28 | sing | 1.51Å | 1.51Å | |
| N4 | C5 | sing | 1.47Å | 1.45Å | |
| N4 | S1 | sing | 1.66Å | 1.71Å | |
| S1 | O4 | doub | 1.42Å | 1.42Å | |
| S1 | O3 | doub | 1.42Å | 1.42Å | |
| S1 | C9 | sing | 1.81Å | 1.75Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C3 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C28 | sing | 1.46Å | 1.42Å | Aromatic |
| C27 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C6 | O6 | sing | 1.36Å | 1.40Å | |
| N7 | C29 | sing | 1.37Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.34Å | 1.40Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C32 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.48Å | 1.45Å | |
| C34 | O8 | sing | 1.35Å | 1.25Å | |
| C34 | O7 | doub | 1.22Å | 1.25Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C14 | N5 | 123.5° | 120.0° |
| O1 | C14 | C5 | 119.7° | 120.0° |
| N5 | C14 | C5 | 116.8° | 120.0° |
| C14 | N5 | C15 | 117.3° | 120.0° |
| C14 | N5 | HN5 | 121.3° | 120.0° |
| C14 | C5 | C1 | 111.0° | 109.5° |
| C14 | C5 | N4 | 110.4° | 109.5° |
| C14 | C5 | H5 | 106.9° | 109.5° |
| N5 | C15 | C18 | 114.3° | 109.4° |
| N5 | C15 | C20 | 108.6° | 109.5° |
| C15 | N5 | HN5 | 121.4° | 120.0° |
| N5 | C15 | H15 | 107.1° | 109.5° |
| C18 | C15 | C20 | 110.6° | 109.5° |
| C15 | C18 | C19 | 113.0° | 109.4° |
| C18 | C15 | H15 | 105.0° | 109.5° |
| C15 | C18 | H18 | 108.3° | 109.5° |
| C15 | C18 | H18A | 107.5° | 109.4° |
| C15 | C20 | O5 | 120.8° | 120.0° |
| C15 | C20 | N6 | 112.3° | 119.9° |
| C20 | C15 | H15 | 111.1° | 109.5° |
| C18 | C19 | C2 | 111.1° | 109.5° |
| C19 | C18 | H18 | 108.3° | 109.5° |
| C19 | C18 | H18A | 107.5° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.5° |
| C18 | C19 | H19A | 108.6° | 109.5° |
| C19 | C2 | O2 | 120.7° | 120.0° |
| C19 | C2 | N3 | 116.5° | 120.0° |
| C2 | C19 | H19 | 108.9° | 109.4° |
| C2 | C19 | H19A | 108.6° | 109.4° |
| O5 | C20 | N6 | 126.9° | 120.0° |
| C20 | N6 | C21 | 117.3° | 120.0° |
| C20 | N6 | HN6 | 121.4° | 120.1° |
| N6 | C21 | C25 | 114.9° | 109.5° |
| C21 | N6 | HN6 | 121.3° | 119.9° |
| N6 | C21 | H21 | 107.7° | 109.5° |
| N6 | C21 | H21A | 106.4° | 109.4° |
| C21 | C25 | C16 | 121.4° | 119.9° |
| C21 | C25 | C24 | 118.9° | 119.8° |
| C25 | C21 | H21 | 107.7° | 109.5° |
| C25 | C21 | H21A | 106.5° | 109.5° |
| C17 | C16 | C25 | 119.2° | 120.1° |
| C16 | C17 | C22 | 121.2° | 119.9° |
| C17 | C16 | H16 | 120.4° | 119.9° |
| C16 | C17 | H17 | 119.4° | 120.1° |
| C16 | C25 | C24 | 119.7° | 120.3° |
| C25 | C16 | H16 | 120.4° | 119.9° |
| C17 | C22 | C23 | 118.9° | 119.7° |
| C17 | C22 | C26 | 120.7° | 120.2° |
| C22 | C17 | H17 | 119.4° | 120.0° |
| C23 | C22 | C26 | 120.3° | 120.1° |
| C22 | C23 | C24 | 120.2° | 119.9° |
| C22 | C23 | H23 | 119.9° | 120.1° |
| C22 | C26 | N1 | 120.1° | 120.0° |
| C22 | C26 | N2 | 121.9° | 120.0° |
| C23 | C24 | C25 | 120.7° | 120.1° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | H24 | 119.7° | 119.9° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| N1 | C26 | N2 | 118.0° | 120.0° |
| C26 | N1 | HN1 | 109.0° | 120.0° |
| C26 | N2 | HN2 | 109.0° | 120.0° |
| C26 | N2 | HN2A | 125.5° | 120.0° |
| O2 | C2 | N3 | 122.7° | 120.0° |
| C2 | N3 | HN3 | 110.2° | 120.1° |
| C2 | N3 | HN3A | 124.9° | 120.0° |
| C5 | C1 | C28 | 113.0° | 109.5° |
| C1 | C5 | N4 | 106.7° | 109.5° |
| C5 | C1 | H1 | 108.3° | 109.5° |
| C5 | C1 | H1A | 107.5° | 109.4° |
| C1 | C5 | H5 | 110.6° | 109.5° |
| C1 | C28 | C4 | 125.7° | 126.5° |
| C1 | C28 | C29 | 128.8° | 126.5° |
| C28 | C1 | H1 | 108.3° | 109.5° |
| C28 | C1 | H1A | 107.5° | 109.5° |
| C5 | N4 | S1 | 118.5° | 120.0° |
| C5 | N4 | HN4 | 106.5° | 120.0° |
| N4 | C5 | H5 | 111.3° | 109.5° |
| N4 | S1 | O4 | 102.9° | 104.3° |
| N4 | S1 | O3 | 102.6° | 104.3° |
| N4 | S1 | C9 | 106.9° | 104.5° |
| S1 | N4 | HN4 | 106.6° | 120.0° |
| O4 | S1 | O3 | 121.8° | 121.0° |
| O4 | S1 | C9 | 110.0° | 110.5° |
| O3 | S1 | C9 | 111.1° | 110.6° |
| S1 | C9 | C8 | 109.2° | 109.5° |
| S1 | C9 | H9 | 109.6° | 109.5° |
| S1 | C9 | H9A | 109.6° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.4° |
| C8 | C9 | H9A | 109.6° | 109.5° |
| C9 | C8 | H8 | 109.5° | 109.5° |
| C9 | C8 | H8A | 109.5° | 109.4° |
| C9 | C8 | H8B | 109.4° | 109.5° |
| C12 | C13 | C6 | 118.4° | 120.6° |
| C13 | C12 | C3 | 122.3° | 120.0° |
| C12 | C13 | H13 | 120.8° | 119.7° |
| C13 | C12 | H12 | 118.9° | 120.0° |
| C13 | C6 | C27 | 117.9° | 120.3° |
| C13 | C6 | O6 | 127.8° | 119.8° |
| C6 | C13 | H13 | 120.8° | 119.7° |
| C12 | C3 | C4 | 118.9° | 119.6° |
| C12 | C3 | N7 | 135.1° | 133.3° |
| C3 | C12 | H12 | 118.8° | 120.1° |
| C4 | C3 | N7 | 105.6° | 107.1° |
| C3 | C4 | C27 | 119.5° | 120.0° |
| C3 | C4 | C28 | 109.3° | 106.0° |
| C3 | N7 | C29 | 110.0° | 109.9° |
| C3 | N7 | HN7 | 125.0° | 125.1° |
| C27 | C4 | C28 | 130.7° | 134.0° |
| C4 | C27 | C6 | 123.0° | 119.6° |
| C4 | C27 | H27 | 118.5° | 120.2° |
| C4 | C28 | C29 | 105.4° | 107.1° |
| C27 | C6 | O6 | 114.1° | 119.9° |
| C6 | C27 | H27 | 118.5° | 120.2° |
| C6 | O6 | C7 | 118.6° | 117.0° |
| N7 | C29 | C28 | 109.7° | 109.9° |
| C29 | N7 | HN7 | 125.0° | 125.1° |
| N7 | C29 | H29 | 125.1° | 125.1° |
| C28 | C29 | H29 | 125.2° | 125.0° |
| O6 | C7 | C32 | 121.0° | 109.4° |
| O6 | C7 | H7 | 105.8° | 109.5° |
| O6 | C7 | H7A | 103.1° | 109.5° |
| C7 | C32 | C31 | 120.1° | 119.9° |
| C7 | C32 | C30 | 122.1° | 119.9° |
| C32 | C7 | H7 | 105.8° | 109.5° |
| C32 | C7 | H7A | 103.1° | 109.5° |
| C10 | C11 | C33 | 119.6° | 119.9° |
| C11 | C10 | C31 | 119.6° | 120.2° |
| C10 | C11 | H11 | 120.2° | 120.1° |
| C11 | C10 | H10 | 120.2° | 119.9° |
| C11 | C33 | C30 | 120.1° | 119.7° |
| C11 | C33 | C34 | 120.6° | 120.1° |
| C33 | C11 | H11 | 120.2° | 120.1° |
| C10 | C31 | C32 | 121.8° | 120.3° |
| C31 | C10 | H10 | 120.2° | 119.9° |
| C10 | C31 | H31 | 119.1° | 119.8° |
| C31 | C32 | C30 | 117.7° | 120.2° |
| C32 | C31 | H31 | 119.1° | 119.8° |
| C32 | C30 | C33 | 121.2° | 119.8° |
| C32 | C30 | H30 | 119.4° | 120.1° |
| C30 | C33 | C34 | 119.3° | 120.2° |
| C33 | C30 | H30 | 119.4° | 120.1° |
| C33 | C34 | O8 | 119.3° | 120.0° |
| C33 | C34 | O7 | 117.6° | 120.0° |
| O8 | C34 | O7 | 123.0° | 120.0° |
| C34 | O8 | HO8 | 109.5° | 117.1° |
| H18 | C18 | H18A | 112.3° | 109.5° |
| H19 | C19 | H19A | 110.8° | 109.5° |
| H21 | C21 | H21A | 113.8° | 109.4° |
| HN3 | N3 | HN3A | 124.9° | 119.9° |
| H1 | C1 | H1A | 112.3° | 109.4° |
| H9 | C9 | H9A | 109.3° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| HN2 | N2 | HN2A | 125.5° | 120.0° |
| H7 | C7 | H7A | 119.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C14 | N5 | C5 | 179.6° | 179.7° |
| O1 | C14 | N5 | C15 | 0.4° | 0.1° |
| O1 | C14 | C5 | C1 | 78.5° | 100.0° |
| O1 | C14 | C5 | N4 | 39.6° | 20.0° |
| O1 | C14 | N5 | HN5 | 179.6° | 180.0° |
| O1 | C14 | C5 | H5 | 160.8° | 140.0° |
| C14 | N5 | C15 | HN5 | 180.0° | 179.9° |
| C14 | N5 | C15 | C18 | 175.9° | 85.1° |
| C14 | N5 | C15 | C20 | 51.9° | 155.0° |
| N5 | C14 | C5 | C1 | 101.9° | 79.7° |
| N5 | C14 | C5 | N4 | 140.0° | 160.3° |
| C14 | N5 | C15 | H15 | 68.2° | 34.9° |
| N5 | C14 | C5 | H5 | 18.8° | 40.3° |
| C5 | C14 | N5 | C15 | 179.2° | 179.8° |
| C14 | C5 | C1 | N4 | 120.3° | 120.0° |
| C14 | C5 | C1 | H5 | 118.5° | 120.0° |
| C14 | C5 | C1 | C28 | 177.5° | 175.0° |
| C14 | C5 | N4 | H5 | 118.5° | 120.0° |
| C14 | C5 | N4 | S1 | 101.2° | 95.0° |
| C5 | C14 | N5 | HN5 | 0.8° | 0.3° |
| C14 | C5 | C1 | H1 | 57.5° | 54.9° |
| C14 | C5 | C1 | H1A | 64.1° | 65.0° |
| C14 | C5 | N4 | HN4 | 138.8° | 85.0° |
| N5 | C15 | C18 | C20 | 123.0° | 120.0° |
| N5 | C15 | C18 | H15 | 117.1° | 120.0° |
| N5 | C15 | C20 | H15 | 117.6° | 120.0° |
| N5 | C15 | C18 | C19 | 56.6° | 65.0° |
| N5 | C15 | C20 | O5 | 43.1° | 0.0° |
| N5 | C15 | C20 | N6 | 136.2° | 180.0° |
| N5 | C15 | C18 | H18 | 63.5° | 55.0° |
| N5 | C15 | C18 | H18A | 175.0° | 175.0° |
| C18 | C15 | C20 | H15 | 116.2° | 120.0° |
| C15 | C18 | C19 | H18 | 120.0° | 120.0° |
| C15 | C18 | C19 | H18A | 118.5° | 119.9° |
| C15 | C18 | C19 | C2 | 173.3° | 180.0° |
| C18 | C15 | C20 | O5 | 83.2° | 120.0° |
| C18 | C15 | C20 | N6 | 97.5° | 60.0° |
| C18 | C15 | N5 | HN5 | 4.0° | 95.0° |
| C15 | C18 | H18 | H18A | 118.6° | 120.0° |
| C15 | C18 | C19 | H19 | 53.3° | 60.0° |
| C15 | C18 | C19 | H19A | 67.4° | 60.1° |
| C20 | C15 | C18 | C19 | 179.5° | 175.0° |
| C15 | C20 | O5 | N6 | 179.2° | 180.0° |
| C15 | C20 | N6 | C21 | 178.0° | 180.0° |
| C20 | C15 | N5 | HN5 | 128.1° | 24.9° |
| C20 | C15 | C18 | H18 | 59.5° | 65.0° |
| C20 | C15 | C18 | H18A | 62.0° | 55.0° |
| C15 | C20 | N6 | HN6 | 2.0° | 0.0° |
| C18 | C19 | C2 | H19 | 120.0° | 120.0° |
| C18 | C19 | C2 | H19A | 119.3° | 120.0° |
| C18 | C19 | C2 | O2 | 54.9° | 0.0° |
| C18 | C19 | C2 | N3 | 121.4° | 180.0° |
| C19 | C18 | C15 | H15 | 60.5° | 55.0° |
| C19 | C18 | H18 | H18A | 118.6° | 120.0° |
| C18 | C19 | H19 | H19A | 119.3° | 120.1° |
| C19 | C2 | O2 | N3 | 176.1° | 180.0° |
| C2 | C19 | C18 | H18 | 66.7° | 60.0° |
| C2 | C19 | C18 | H18A | 54.8° | 60.0° |
| C2 | C19 | H19 | H19A | 119.3° | 119.9° |
| C19 | C2 | N3 | HN3 | 1.6° | 0.0° |
| C19 | C2 | N3 | HN3A | 178.4° | 179.9° |
| O5 | C20 | N6 | C21 | 2.7° | 0.0° |
| O5 | C20 | C15 | H15 | 160.7° | 120.0° |
| O5 | C20 | N6 | HN6 | 177.2° | 180.0° |
| C20 | N6 | C21 | HN6 | 180.0° | 180.0° |
| C20 | N6 | C21 | C25 | 99.2° | 180.0° |
| N6 | C20 | C15 | H15 | 18.7° | 60.0° |
| C20 | N6 | C21 | H21 | 140.8° | 60.0° |
| C20 | N6 | C21 | H21A | 18.4° | 60.0° |
| N6 | C21 | C25 | H21 | 120.0° | 120.0° |
| N6 | C21 | C25 | H21A | 117.6° | 120.0° |
| N6 | C21 | C25 | C16 | 59.5° | 90.0° |
| N6 | C21 | C25 | C24 | 120.2° | 90.0° |
| N6 | C21 | H21 | H21A | 117.8° | 119.9° |
| C21 | C25 | C16 | C17 | 179.3° | 180.0° |
| C21 | C25 | C16 | C24 | 179.7° | 180.0° |
| C21 | C25 | C24 | C23 | 178.7° | 180.0° |
| C25 | C21 | N6 | HN6 | 80.8° | 0.0° |
| C25 | C21 | H21 | H21A | 117.8° | 120.1° |
| C21 | C25 | C16 | H16 | 0.7° | 0.3° |
| C21 | C25 | C24 | H24 | 1.3° | 0.0° |
| C17 | C16 | C25 | H16 | 180.0° | 179.7° |
| C16 | C17 | C22 | H17 | 180.0° | 180.0° |
| C16 | C17 | C22 | C23 | 2.6° | 0.0° |
| C16 | C17 | C22 | C26 | 175.7° | 180.0° |
| C17 | C16 | C25 | C24 | 0.4° | 0.0° |
| C25 | C16 | C17 | C22 | 1.4° | 0.0° |
| C16 | C25 | C24 | C23 | 1.1° | 0.0° |
| C16 | C25 | C21 | H21 | 179.5° | 30.0° |
| C16 | C25 | C21 | H21A | 58.1° | 150.0° |
| C25 | C16 | C17 | H17 | 178.6° | 180.0° |
| C16 | C25 | C24 | H24 | 178.9° | 180.0° |
| C17 | C22 | C23 | C26 | 178.3° | 180.0° |
| C17 | C22 | C23 | C24 | 1.9° | 0.0° |
| C17 | C22 | C26 | N1 | 11.8° | 0.0° |
| C17 | C22 | C26 | N2 | 167.9° | 180.0° |
| C22 | C17 | C16 | H16 | 178.6° | 179.7° |
| C17 | C22 | C23 | H23 | 178.1° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C26 | N1 | 169.9° | 180.0° |
| C23 | C22 | C26 | N2 | 10.4° | 0.0° |
| C23 | C22 | C17 | H17 | 177.4° | 180.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C26 | C22 | C23 | C24 | 176.4° | 180.0° |
| C22 | C26 | N1 | N2 | 179.8° | 179.9° |
| C26 | C22 | C17 | H17 | 4.3° | 0.0° |
| C26 | C22 | C23 | H23 | 3.6° | 0.0° |
| C22 | C26 | N1 | HN1 | 180.0° | 180.0° |
| C22 | C26 | N2 | HN2 | 0.1° | 0.1° |
| C22 | C26 | N2 | HN2A | 179.9° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C25 | C21 | H21 | 0.2° | 150.0° |
| C24 | C25 | C21 | H21A | 122.2° | 30.0° |
| C24 | C25 | C16 | H16 | 179.6° | 179.7° |
| C25 | C24 | C23 | H23 | 179.9° | 180.0° |
| N1 | C26 | N2 | HN2 | 179.9° | 180.0° |
| N1 | C26 | N2 | HN2A | 0.1° | 0.1° |
| N2 | C26 | N1 | HN1 | 0.3° | 0.0° |
| C26 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| O2 | C2 | C19 | H19 | 174.9° | 120.0° |
| O2 | C2 | C19 | H19A | 64.4° | 120.0° |
| O2 | C2 | N3 | HN3 | 177.9° | 180.0° |
| O2 | C2 | N3 | HN3A | 2.1° | 0.1° |
| N3 | C2 | C19 | H19 | 1.5° | 60.0° |
| N3 | C2 | C19 | H19A | 119.3° | 60.0° |
| C2 | N3 | HN3 | HN3A | 180.0° | 180.0° |
| C5 | C1 | C28 | H1 | 120.0° | 120.0° |
| C5 | C1 | C28 | H1A | 118.5° | 120.0° |
| C1 | C5 | N4 | H5 | 120.7° | 120.0° |
| C1 | C5 | N4 | S1 | 138.0° | 145.0° |
| C5 | C1 | C28 | C4 | 79.9° | 85.0° |
| C5 | C1 | C28 | C29 | 105.3° | 95.0° |
| C5 | C1 | H1 | H1A | 118.6° | 119.9° |
| C1 | C5 | N4 | HN4 | 18.0° | 35.0° |
| C28 | C1 | C5 | N4 | 62.2° | 65.0° |
| C1 | C28 | C4 | C3 | 176.2° | 180.0° |
| C1 | C28 | C4 | C27 | 4.4° | 0.0° |
| C1 | C28 | C4 | C29 | 175.8° | 179.9° |
| C1 | C28 | C29 | N7 | 176.2° | 180.0° |
| C28 | C1 | H1 | H1A | 118.6° | 120.0° |
| C28 | C1 | C5 | H5 | 59.0° | 55.0° |
| C1 | C28 | C29 | H29 | 3.7° | 0.1° |
| C5 | N4 | S1 | HN4 | 120.0° | 180.0° |
| C5 | N4 | S1 | O4 | 39.2° | 178.9° |
| C5 | N4 | S1 | O3 | 166.4° | 51.1° |
| C5 | N4 | S1 | C9 | 76.6° | 65.0° |
| N4 | C5 | C1 | H1 | 177.8° | 175.0° |
| N4 | C5 | C1 | H1A | 56.3° | 55.0° |
| N4 | S1 | O4 | O3 | 113.8° | 116.8° |
| N4 | S1 | O4 | C9 | 113.6° | 111.7° |
| N4 | S1 | O3 | C9 | 114.0° | 111.8° |
| N4 | S1 | C9 | C8 | 77.5° | 180.0° |
| S1 | N4 | C5 | H5 | 17.3° | 25.0° |
| N4 | S1 | C9 | H9 | 162.5° | 60.1° |
| N4 | S1 | C9 | H9A | 42.7° | 60.0° |
| O4 | S1 | O3 | C9 | 132.0° | 131.5° |
| O4 | S1 | C9 | C8 | 171.6° | 68.4° |
| O4 | S1 | N4 | HN4 | 159.2° | 1.1° |
| O4 | S1 | C9 | H9 | 51.6° | 171.7° |
| O4 | S1 | C9 | H9A | 68.3° | 51.6° |
| O3 | S1 | C9 | C8 | 33.8° | 68.3° |
| O3 | S1 | N4 | HN4 | 73.6° | 128.9° |
| O3 | S1 | C9 | H9 | 86.2° | 51.6° |
| O3 | S1 | C9 | H9A | 153.9° | 171.7° |
| S1 | C9 | C8 | H9 | 120.0° | 120.0° |
| S1 | C9 | C8 | H9A | 120.1° | 120.0° |
| C9 | S1 | N4 | HN4 | 43.4° | 115.0° |
| S1 | C9 | H9 | H9A | 120.1° | 120.1° |
| S1 | C9 | C8 | H8 | 112.6° | 180.0° |
| S1 | C9 | C8 | H8A | 127.4° | 60.0° |
| S1 | C9 | C8 | H8B | 7.4° | 60.0° |
| C8 | C9 | H9 | H9A | 120.1° | 120.0° |
| C9 | C8 | H8 | H8A | 120.0° | 120.0° |
| C9 | C8 | H8 | H8B | 120.0° | 120.0° |
| C9 | C8 | H8A | H8B | 120.0° | 120.0° |
| C12 | C13 | C6 | H13 | 180.0° | 179.7° |
| C13 | C12 | C3 | H12 | 180.0° | 180.0° |
| C13 | C12 | C3 | C4 | 1.8° | 0.0° |
| C13 | C12 | C3 | N7 | 169.5° | 180.0° |
| C12 | C13 | C6 | C27 | 1.8° | 0.0° |
| C12 | C13 | C6 | O6 | 171.9° | 180.0° |
| C6 | C13 | C12 | C3 | 0.5° | 0.0° |
| C13 | C6 | C27 | C4 | 3.0° | 0.0° |
| C13 | C6 | C27 | O6 | 174.5° | 180.0° |
| C13 | C6 | O6 | C7 | 39.4° | 0.0° |
| C6 | C13 | C12 | H12 | 179.5° | 180.0° |
| C13 | C6 | C27 | H27 | 177.0° | 180.0° |
| C12 | C3 | C4 | N7 | 173.6° | 180.0° |
| C12 | C3 | C4 | C27 | 0.8° | 0.0° |
| C12 | C3 | C4 | C28 | 173.6° | 180.0° |
| C12 | C3 | N7 | C29 | 171.7° | 180.0° |
| C3 | C12 | C13 | H13 | 179.5° | 179.7° |
| C12 | C3 | N7 | HN7 | 8.3° | 0.1° |
| C3 | C4 | C27 | C28 | 171.1° | 180.0° |
| C3 | C4 | C27 | C6 | 1.7° | 0.0° |
| C4 | C3 | N7 | C29 | 0.4° | 0.0° |
| C3 | C4 | C28 | C29 | 0.4° | 0.0° |
| C4 | C3 | C12 | H12 | 178.2° | 180.0° |
| C3 | C4 | C27 | H27 | 178.3° | 180.0° |
| C4 | C3 | N7 | HN7 | 179.7° | 180.0° |
| N7 | C3 | C4 | C27 | 172.9° | 180.0° |
| N7 | C3 | C4 | C28 | 0.0° | 0.0° |
| C3 | N7 | C29 | HN7 | 180.0° | 180.0° |
| C3 | N7 | C29 | C28 | 0.6° | 0.0° |
| N7 | C3 | C12 | H12 | 10.5° | 0.0° |
| C3 | N7 | C29 | H29 | 179.4° | 180.0° |
| C4 | C27 | C6 | H27 | 180.0° | 180.0° |
| C4 | C27 | C6 | O6 | 171.6° | 180.0° |
| C27 | C4 | C28 | C29 | 171.4° | 180.0° |
| C28 | C4 | C27 | C6 | 169.4° | 180.0° |
| C4 | C28 | C29 | N7 | 0.6° | 0.0° |
| C4 | C28 | C1 | H1 | 40.1° | 35.0° |
| C4 | C28 | C1 | H1A | 161.7° | 155.0° |
| C28 | C4 | C27 | H27 | 10.6° | 0.0° |
| C4 | C28 | C29 | H29 | 179.4° | 180.0° |
| C27 | C6 | O6 | C7 | 134.5° | 180.0° |
| C27 | C6 | C13 | H13 | 178.2° | 179.7° |
| C6 | O6 | C7 | C32 | 66.9° | 180.0° |
| O6 | C6 | C13 | H13 | 8.1° | 0.3° |
| O6 | C6 | C27 | H27 | 8.4° | 0.0° |
| C6 | O6 | C7 | H7 | 53.1° | 60.0° |
| C6 | O6 | C7 | H7A | 178.8° | 60.0° |
| N7 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C28 | C1 | H1 | 134.7° | 144.9° |
| C29 | C28 | C1 | H1A | 13.2° | 24.9° |
| C28 | C29 | N7 | HN7 | 179.4° | 179.9° |
| O6 | C7 | C32 | H7 | 120.0° | 120.0° |
| O6 | C7 | C32 | H7A | 114.3° | 120.0° |
| O6 | C7 | C32 | C31 | 123.5° | 90.0° |
| O6 | C7 | C32 | C30 | 60.5° | 90.1° |
| O6 | C7 | H7 | H7A | 115.3° | 120.0° |
| C7 | C32 | C31 | C10 | 176.6° | 180.0° |
| C7 | C32 | C31 | C30 | 176.2° | 179.9° |
| C7 | C32 | C30 | C33 | 178.1° | 180.0° |
| C32 | C7 | H7 | H7A | 115.2° | 120.0° |
| C7 | C32 | C31 | H31 | 3.4° | 0.0° |
| C7 | C32 | C30 | H30 | 1.9° | 0.1° |
| C10 | C11 | C33 | H11 | 180.0° | 179.7° |
| C11 | C10 | C31 | H10 | 180.0° | 179.9° |
| C11 | C10 | C31 | C32 | 1.1° | 0.1° |
| C10 | C11 | C33 | C30 | 0.6° | 0.1° |
| C10 | C11 | C33 | C34 | 175.9° | 180.0° |
| C11 | C10 | C31 | H31 | 178.9° | 179.9° |
| C33 | C11 | C10 | C31 | 1.0° | 0.1° |
| C11 | C33 | C30 | C32 | 2.1° | 0.1° |
| C11 | C33 | C30 | C34 | 176.5° | 180.0° |
| C11 | C33 | C34 | O8 | 30.9° | 0.0° |
| C11 | C33 | C34 | O7 | 147.7° | 179.9° |
| C33 | C11 | C10 | H10 | 179.0° | 180.0° |
| C11 | C33 | C30 | H30 | 177.9° | 180.0° |
| C10 | C31 | C32 | H31 | 180.0° | 180.0° |
| C10 | C31 | C32 | C30 | 0.4° | 0.1° |
| C31 | C10 | C11 | H11 | 179.0° | 179.8° |
| C31 | C32 | C30 | C33 | 2.0° | 0.1° |
| C31 | C32 | C7 | H7 | 3.5° | 30.0° |
| C31 | C32 | C7 | H7A | 122.2° | 150.0° |
| C32 | C31 | C10 | H10 | 178.9° | 180.0° |
| C31 | C32 | C30 | H30 | 178.0° | 180.0° |
| C32 | C30 | C33 | H30 | 180.0° | 179.9° |
| C32 | C30 | C33 | C34 | 174.4° | 180.0° |
| C30 | C32 | C7 | H7 | 179.5° | 149.9° |
| C30 | C32 | C7 | H7A | 53.8° | 29.9° |
| C30 | C32 | C31 | H31 | 179.6° | 179.9° |
| C30 | C33 | C34 | O8 | 152.7° | 180.0° |
| C30 | C33 | C34 | O7 | 28.8° | 0.0° |
| C30 | C33 | C11 | H11 | 179.4° | 179.8° |
| C33 | C34 | O8 | O7 | 178.4° | 179.9° |
| C34 | C33 | C11 | H11 | 4.1° | 0.2° |
| C34 | C33 | C30 | H30 | 5.6° | 0.0° |
| C33 | C34 | O8 | HO8 | 178.5° | 180.0° |
| O7 | C34 | O8 | HO8 | 0.0° | 0.1° |
| HN5 | N5 | C15 | H15 | 111.8° | 145.0° |
| H15 | C15 | C18 | H18 | 179.4° | 175.0° |
| H15 | C15 | C18 | H18A | 57.9° | 65.0° |
| H18 | C18 | C19 | H19 | 173.3° | 180.0° |
| H18 | C18 | C19 | H19A | 52.6° | 59.9° |
| H18A | C18 | C19 | H19 | 65.2° | 59.9° |
| H18A | C18 | C19 | H19A | 174.1° | NaN° |
| HN6 | N6 | C21 | H21 | 39.2° | 120.1° |
| HN6 | N6 | C21 | H21A | 161.6° | 120.0° |
| H16 | C16 | C17 | H17 | 1.4° | 0.3° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| H1 | C1 | C5 | H5 | 61.0° | 65.1° |
| H1A | C1 | C5 | H5 | 177.4° | 175.0° |
| HN4 | N4 | C5 | H5 | 102.7° | 155.0° |
| H9 | C9 | C8 | H8 | 7.4° | 60.0° |
| H9 | C9 | C8 | H8A | 112.6° | NaN° |
| H9 | C9 | C8 | H8B | 127.4° | 60.0° |
| H9A | C9 | C8 | H8 | 127.3° | 60.0° |
| H9A | C9 | C8 | H8A | 7.3° | 60.0° |
| H9A | C9 | C8 | H8B | 112.8° | 180.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H13 | C13 | C12 | H12 | 0.5° | 0.3° |
| HN7 | N7 | C29 | H29 | 0.6° | 0.0° |
| H11 | C11 | C10 | H10 | 1.0° | 0.3° |
| H10 | C10 | C31 | H31 | 1.1° | 0.0° |
