M90
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C3 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C6 | O1 | doub | 1.22Å | 1.25Å | |
| C17 | S1 | sing | 1.81Å | 1.81Å | |
| C18 | S1 | sing | 1.81Å | 1.81Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C4 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C6 | sing | 1.35Å | 1.47Å | |
| C6 | O2 | sing | 1.35Å | 1.34Å | |
| O2 | C7 | sing | 1.45Å | 1.46Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C16 | sing | 1.46Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C20 | sing | 1.47Å | 1.47Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| O4 | C19 | doub | 1.21Å | 1.23Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C32 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C33 | sing | 1.32Å | 1.33Å | Aromatic |
| C28 | O5 | sing | 1.43Å | 1.40Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C29 | O6 | sing | 1.43Å | 1.43Å | |
| C30 | O6 | sing | 1.36Å | 1.34Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C19 | sing | 1.51Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C28 | sing | 1.53Å | 1.52Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C3 | 109.5° | 109.4° |
| N1 | C1 | C2 | 109.5° | 109.4° |
| N1 | C1 | H1 | 103.8° | 109.4° |
| C1 | N1 | HN1 | 109.5° | 111.0° |
| C1 | N1 | HN1A | 109.5° | 111.0° |
| C3 | C1 | C2 | 82.0° | 109.6° |
| C3 | C1 | H1 | 125.3° | 109.5° |
| C1 | C3 | C5 | 109.0° | 109.3° |
| C1 | C3 | H3 | 109.6° | 109.6° |
| C1 | C3 | H3A | 109.7° | 109.5° |
| C2 | C1 | H1 | 125.3° | 109.5° |
| C1 | C2 | C4 | 109.4° | 109.3° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.5° | 109.5° |
| HN1 | N1 | HN1A | 109.4° | 111.0° |
| O1 | C6 | N2 | 118.2° | 120.0° |
| O1 | C6 | O2 | 119.4° | 120.0° |
| C17 | S1 | C18 | 111.4° | 103.0° |
| S1 | C17 | C16 | 100.9° | 109.5° |
| S1 | C17 | H17 | 112.5° | 109.5° |
| S1 | C17 | H17A | 112.4° | 109.5° |
| S1 | C18 | H18 | 109.5° | 109.5° |
| S1 | C18 | H18A | 109.5° | 109.5° |
| S1 | C18 | H18B | 109.5° | 109.5° |
| C4 | C2 | H2 | 109.5° | 109.5° |
| C4 | C2 | H2A | 109.5° | 109.5° |
| C2 | C4 | N2 | 109.7° | 108.8° |
| C2 | C4 | H4 | 109.4° | 109.6° |
| C2 | C4 | H4A | 109.4° | 109.6° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| C5 | N2 | C4 | 114.0° | 118.7° |
| C5 | N2 | C6 | 130.6° | 120.6° |
| N2 | C5 | C3 | 109.4° | 108.8° |
| N2 | C5 | H5 | 109.5° | 109.6° |
| N2 | C5 | H5A | 109.5° | 109.6° |
| C4 | N2 | C6 | 115.1° | 120.6° |
| N2 | C4 | H4 | 109.4° | 109.6° |
| N2 | C4 | H4A | 109.4° | 109.5° |
| N2 | C6 | O2 | 122.4° | 120.0° |
| C6 | O2 | C7 | 119.8° | 117.0° |
| O2 | C7 | C9 | 110.5° | 109.5° |
| O2 | C7 | C8 | 111.2° | 109.5° |
| O2 | C7 | H7 | 107.8° | 109.5° |
| C5 | C3 | H3 | 109.6° | 109.5° |
| C5 | C3 | H3A | 109.6° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.6° |
| C3 | C5 | H5A | 109.5° | 109.6° |
| H3 | C3 | H3A | 109.3° | 109.5° |
| C8 | N3 | C16 | 123.5° | 120.1° |
| C8 | N3 | HN3 | 118.2° | 120.0° |
| N3 | C8 | O3 | 123.6° | 120.0° |
| N3 | C8 | C7 | 115.2° | 120.0° |
| C16 | N3 | HN3 | 118.2° | 120.0° |
| N3 | C16 | C17 | 109.1° | 109.4° |
| N3 | C16 | C19 | 109.7° | 109.5° |
| N3 | C16 | H16 | 111.0° | 109.4° |
| O3 | C8 | C7 | 121.2° | 120.0° |
| H4 | C4 | H4A | 109.6° | 109.7° |
| C19 | N4 | C20 | 120.1° | 120.0° |
| C19 | N4 | HN4 | 120.0° | 120.0° |
| N4 | C19 | O4 | 122.6° | 120.0° |
| N4 | C19 | C16 | 116.9° | 120.0° |
| C20 | N4 | HN4 | 120.0° | 120.0° |
| N4 | C20 | C21 | 110.8° | 109.5° |
| N4 | C20 | C28 | 111.1° | 109.5° |
| N4 | C20 | H20 | 108.4° | 109.5° |
| O4 | C19 | C16 | 119.9° | 120.0° |
| H5 | C5 | H5A | 109.5° | 109.7° |
| C32 | N5 | C33 | 123.6° | 121.9° |
| N5 | C32 | C31 | 120.1° | 120.8° |
| N5 | C32 | H32 | 120.0° | 119.6° |
| N5 | C33 | C34 | 118.6° | 120.9° |
| N5 | C33 | H33 | 120.7° | 119.5° |
| C28 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C28 | C20 | 112.4° | 109.4° |
| O5 | C28 | C29 | 116.2° | 109.5° |
| O5 | C28 | H28 | 103.0° | 109.4° |
| C29 | O6 | C30 | 113.7° | 117.0° |
| O6 | C29 | C28 | 110.3° | 109.5° |
| O6 | C29 | H29 | 109.2° | 109.5° |
| O6 | C29 | H29A | 109.2° | 109.5° |
| O6 | C30 | C31 | 114.0° | 120.9° |
| O6 | C30 | C34 | 125.0° | 120.8° |
| C9 | C7 | C8 | 110.0° | 109.4° |
| C9 | C7 | H7 | 109.0° | 109.5° |
| C7 | C9 | C10 | 113.4° | 109.4° |
| C7 | C9 | H9 | 108.2° | 109.5° |
| C7 | C9 | H9A | 108.2° | 109.5° |
| C8 | C7 | H7 | 108.2° | 109.5° |
| C10 | C9 | H9 | 108.2° | 109.4° |
| C10 | C9 | H9A | 108.2° | 109.5° |
| C9 | C10 | C11 | 120.3° | 120.0° |
| C9 | C10 | C12 | 120.8° | 120.0° |
| H9 | C9 | H9A | 110.7° | 109.5° |
| C11 | C10 | C12 | 118.9° | 120.0° |
| C10 | C11 | C13 | 121.1° | 120.0° |
| C10 | C11 | H11 | 119.4° | 120.0° |
| C10 | C12 | C14 | 120.4° | 120.0° |
| C10 | C12 | H12 | 119.8° | 120.0° |
| C13 | C11 | H11 | 119.4° | 120.0° |
| C11 | C13 | C15 | 119.4° | 120.0° |
| C11 | C13 | H13 | 120.3° | 120.0° |
| C14 | C12 | H12 | 119.8° | 120.0° |
| C12 | C14 | C15 | 120.2° | 120.0° |
| C12 | C14 | H14 | 119.9° | 120.0° |
| C15 | C13 | H13 | 120.3° | 120.1° |
| C13 | C15 | C14 | 119.9° | 120.0° |
| C13 | C15 | H15 | 120.0° | 120.0° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C17 | C16 | C19 | 113.3° | 109.5° |
| C17 | C16 | H16 | 107.2° | 109.5° |
| C16 | C17 | H17 | 112.4° | 109.5° |
| C16 | C17 | H17A | 112.4° | 109.5° |
| C19 | C16 | H16 | 106.6° | 109.5° |
| H17 | C17 | H17A | 106.4° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.4° | 109.4° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| C21 | C20 | C28 | 112.2° | 109.5° |
| C21 | C20 | H20 | 107.2° | 109.5° |
| C20 | C21 | C22 | 114.8° | 109.5° |
| C20 | C21 | H21 | 107.7° | 109.5° |
| C20 | C21 | H21A | 107.8° | 109.5° |
| C28 | C20 | H20 | 106.8° | 109.4° |
| C20 | C28 | C29 | 111.6° | 109.5° |
| C20 | C28 | H28 | 108.5° | 109.5° |
| C22 | C21 | H21 | 107.7° | 109.5° |
| C22 | C21 | H21A | 107.7° | 109.5° |
| C21 | C22 | C23 | 112.6° | 109.4° |
| C21 | C22 | C24 | 110.6° | 109.5° |
| C21 | C22 | H22 | 107.0° | 109.5° |
| H21 | C21 | H21A | 111.2° | 109.5° |
| C23 | C22 | C24 | 110.6° | 109.5° |
| C23 | C22 | H22 | 106.9° | 109.5° |
| C22 | C23 | C25 | 110.9° | 109.5° |
| C22 | C23 | H23 | 109.0° | 109.5° |
| C22 | C23 | H23A | 109.0° | 109.5° |
| C24 | C22 | H22 | 109.1° | 109.5° |
| C22 | C24 | C26 | 112.1° | 109.5° |
| C22 | C24 | H24 | 108.6° | 109.5° |
| C22 | C24 | H24A | 108.6° | 109.5° |
| C25 | C23 | H23 | 109.0° | 109.5° |
| C25 | C23 | H23A | 109.0° | 109.5° |
| C23 | C25 | C27 | 111.4° | 109.5° |
| C23 | C25 | H25 | 108.8° | 109.5° |
| C23 | C25 | H25A | 108.9° | 109.4° |
| H23 | C23 | H23A | 109.9° | 109.4° |
| C26 | C24 | H24 | 108.6° | 109.5° |
| C26 | C24 | H24A | 108.6° | 109.4° |
| C24 | C26 | C27 | 112.0° | 109.5° |
| C24 | C26 | H26 | 108.7° | 109.5° |
| C24 | C26 | H26A | 108.7° | 109.6° |
| H24 | C24 | H24A | 110.3° | 109.4° |
| C27 | C25 | H25 | 108.8° | 109.5° |
| C27 | C25 | H25A | 108.8° | 109.5° |
| C25 | C27 | C26 | 111.8° | 109.5° |
| C25 | C27 | H27 | 108.7° | 109.5° |
| C25 | C27 | H27A | 108.7° | 109.4° |
| H25 | C25 | H25A | 110.1° | 109.5° |
| C27 | C26 | H26 | 108.6° | 109.4° |
| C27 | C26 | H26A | 108.6° | 109.5° |
| C26 | C27 | H27 | 108.7° | 109.4° |
| C26 | C27 | H27A | 108.7° | 109.4° |
| H26 | C26 | H26A | 110.3° | 109.5° |
| H27 | C27 | H27A | 110.2° | 109.5° |
| C29 | C28 | H28 | 104.0° | 109.5° |
| C28 | C29 | H29 | 109.2° | 109.4° |
| C28 | C29 | H29A | 109.2° | 109.5° |
| H29 | C29 | H29A | 109.8° | 109.5° |
| C31 | C30 | C34 | 121.1° | 118.4° |
| C30 | C31 | C32 | 117.5° | 119.1° |
| C30 | C31 | H31 | 121.3° | 120.5° |
| C30 | C34 | C33 | 119.2° | 119.0° |
| C30 | C34 | H34 | 120.4° | 120.5° |
| C32 | C31 | H31 | 121.3° | 120.4° |
| C31 | C32 | H32 | 120.0° | 119.6° |
| C34 | C33 | H33 | 120.7° | 119.6° |
| C33 | C34 | H34 | 120.4° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C3 | C2 | 107.9° | 120.0° |
| N1 | C1 | C3 | H1 | 124.1° | 119.9° |
| N1 | C1 | C2 | H1 | 124.1° | 120.0° |
| C1 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C1 | C2 | C4 | 168.1° | 178.6° |
| N1 | C1 | C2 | H2 | 71.9° | 61.4° |
| N1 | C1 | C2 | H2A | 48.1° | 58.7° |
| N1 | C1 | C3 | C5 | 167.8° | 178.6° |
| N1 | C1 | C3 | H3 | 47.7° | 58.7° |
| N1 | C1 | C3 | H3A | 72.2° | 61.5° |
| C3 | C1 | C2 | H1 | 128.0° | 120.0° |
| C3 | C1 | N1 | HN1 | 180.0° | 59.9° |
| C3 | C1 | N1 | HN1A | 60.0° | 176.1° |
| C3 | C1 | C2 | C4 | 83.9° | 61.4° |
| C3 | C1 | C2 | H2 | 36.1° | 58.6° |
| C3 | C1 | C2 | H2A | 156.1° | 178.7° |
| C1 | C3 | C5 | N2 | 67.9° | 54.6° |
| C1 | C3 | C5 | H3 | 120.0° | 120.0° |
| C1 | C3 | C5 | H3A | 120.0° | 120.0° |
| C1 | C3 | H3 | H3A | 120.2° | 120.1° |
| C1 | C3 | C5 | H5 | 172.1° | 174.4° |
| C1 | C3 | C5 | H5A | 52.1° | 65.2° |
| C2 | C1 | N1 | HN1 | 91.7° | 180.0° |
| C2 | C1 | N1 | HN1A | 28.2° | 56.0° |
| C1 | C2 | C4 | H2 | 120.0° | 120.0° |
| C1 | C2 | C4 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 120.0° | 120.1° |
| C1 | C2 | C4 | N2 | 66.9° | 54.6° |
| C2 | C1 | C3 | C5 | 84.3° | 61.4° |
| C2 | C1 | C3 | H3 | 155.7° | 178.7° |
| C2 | C1 | C3 | H3A | 35.7° | 58.5° |
| C1 | C2 | C4 | H4 | 173.1° | 174.4° |
| C1 | C2 | C4 | H4A | 53.1° | 65.1° |
| H1 | C1 | N1 | HN1 | 44.1° | 60.0° |
| H1 | C1 | N1 | HN1A | 164.1° | 63.9° |
| H1 | C1 | C2 | C4 | 44.0° | 58.7° |
| H1 | C1 | C2 | H2 | 164.0° | 178.6° |
| H1 | C1 | C2 | H2A | 75.9° | 61.3° |
| H1 | C1 | C3 | C5 | 43.6° | 58.7° |
| H1 | C1 | C3 | H3 | 76.4° | 61.3° |
| H1 | C1 | C3 | H3A | 163.7° | 178.6° |
| O1 | C6 | N2 | C5 | 6.2° | 180.0° |
| O1 | C6 | N2 | C4 | 179.4° | 0.1° |
| O1 | C6 | N2 | O2 | 176.1° | 179.9° |
| O1 | C6 | O2 | C7 | 1.7° | 0.1° |
| S1 | C17 | C16 | N3 | 166.9° | 60.0° |
| S1 | C17 | C16 | H17 | 120.0° | 120.0° |
| S1 | C17 | C16 | H17A | 120.0° | 120.1° |
| S1 | C17 | C16 | C19 | 70.6° | 180.0° |
| S1 | C17 | C16 | H16 | 46.7° | 59.9° |
| S1 | C17 | H17 | H17A | 123.5° | 120.0° |
| C17 | S1 | C18 | H18 | 180.0° | 60.0° |
| C17 | S1 | C18 | H18A | 60.0° | 180.0° |
| C17 | S1 | C18 | H18B | 60.0° | 60.0° |
| C18 | S1 | C17 | C16 | 125.0° | 180.0° |
| C18 | S1 | C17 | H17 | 115.0° | 59.9° |
| C18 | S1 | C17 | H17A | 5.0° | 60.0° |
| S1 | C18 | H18 | H18A | 120.0° | 120.0° |
| S1 | C18 | H18 | H18B | 120.0° | 120.0° |
| S1 | C18 | H18A | H18B | 120.0° | 120.0° |
| C4 | C2 | H2 | H2A | 120.0° | 120.1° |
| C2 | C4 | N2 | C5 | 34.1° | 53.6° |
| C2 | C4 | N2 | H4 | 120.0° | 119.8° |
| C2 | C4 | N2 | H4A | 120.0° | 119.8° |
| C2 | C4 | N2 | C6 | 140.3° | 126.3° |
| C2 | C4 | H4 | H4A | 119.9° | 120.4° |
| H2 | C2 | C4 | N2 | 53.1° | 65.3° |
| H2 | C2 | C4 | H4 | 67.0° | 54.5° |
| H2 | C2 | C4 | H4A | 173.0° | 174.9° |
| H2A | C2 | C4 | N2 | 173.1° | 174.6° |
| H2A | C2 | C4 | H4 | 53.1° | 65.6° |
| H2A | C2 | C4 | H4A | 66.9° | 54.8° |
| C5 | N2 | C4 | C6 | 174.4° | 179.8° |
| C5 | N2 | C6 | O2 | 177.7° | 0.1° |
| N2 | C5 | C3 | H5 | 120.0° | 119.8° |
| N2 | C5 | C3 | H5A | 120.0° | 119.8° |
| N2 | C5 | C3 | H3 | 172.1° | 174.6° |
| N2 | C5 | C3 | H3A | 52.1° | 65.3° |
| C5 | N2 | C4 | H4 | 154.1° | 173.4° |
| C5 | N2 | C4 | H4A | 85.9° | 66.2° |
| N2 | C5 | H5 | H5A | 120.0° | 120.3° |
| C4 | N2 | C6 | O2 | 4.5° | 180.0° |
| C4 | N2 | C5 | C3 | 34.5° | 53.5° |
| N2 | C4 | H4 | H4A | 119.9° | 120.3° |
| C4 | N2 | C5 | H5 | 154.5° | 173.3° |
| C4 | N2 | C5 | H5A | 85.5° | 66.3° |
| N2 | C6 | O2 | C7 | 174.3° | 180.0° |
| C6 | N2 | C5 | C3 | 138.8° | 126.3° |
| C6 | N2 | C4 | H4 | 20.3° | 6.5° |
| C6 | N2 | C4 | H4A | 99.7° | 113.9° |
| C6 | N2 | C5 | H5 | 18.7° | 6.5° |
| C6 | N2 | C5 | H5A | 101.2° | 113.9° |
| C6 | O2 | C7 | C9 | 177.0° | 90.1° |
| C6 | O2 | C7 | C8 | 60.5° | 150.0° |
| C6 | O2 | C7 | H7 | 58.0° | 29.9° |
| O2 | C7 | C8 | N3 | 142.3° | 180.0° |
| O2 | C7 | C8 | O3 | 37.9° | 0.1° |
| O2 | C7 | C9 | C8 | 123.2° | 120.0° |
| O2 | C7 | C9 | H7 | 118.2° | 120.0° |
| O2 | C7 | C8 | H7 | 118.2° | 120.0° |
| O2 | C7 | C9 | C10 | 59.5° | 65.0° |
| O2 | C7 | C9 | H9 | 60.5° | 55.0° |
| O2 | C7 | C9 | H9A | 179.6° | 175.0° |
| C5 | C3 | H3 | H3A | 120.2° | 120.0° |
| C3 | C5 | H5 | H5A | 120.0° | 120.4° |
| H3 | C3 | C5 | H5 | 52.1° | 65.6° |
| H3 | C3 | C5 | H5A | 67.9° | 54.8° |
| H3A | C3 | C5 | H5 | 67.9° | 54.5° |
| H3A | C3 | C5 | H5A | 172.1° | 174.9° |
| C8 | N3 | C16 | HN3 | 180.0° | 180.0° |
| N3 | C8 | O3 | C7 | 179.8° | 179.9° |
| N3 | C8 | C7 | C9 | 94.9° | 60.1° |
| N3 | C8 | C7 | H7 | 24.1° | 59.9° |
| C8 | N3 | C16 | C17 | 103.2° | 85.0° |
| C8 | N3 | C16 | C19 | 132.2° | 155.0° |
| C8 | N3 | C16 | H16 | 14.7° | 34.9° |
| C16 | N3 | C8 | O3 | 1.4° | 0.1° |
| N3 | C16 | C19 | N4 | 83.3° | 180.0° |
| N3 | C16 | C19 | O4 | 87.7° | 0.0° |
| C16 | N3 | C8 | C7 | 178.4° | 180.0° |
| N3 | C16 | C17 | C19 | 122.5° | 120.0° |
| N3 | C16 | C17 | H16 | 120.2° | 119.9° |
| N3 | C16 | C19 | H16 | 120.2° | 120.0° |
| N3 | C16 | C17 | H17 | 73.0° | 180.0° |
| N3 | C16 | C17 | H17A | 46.9° | 60.1° |
| HN3 | N3 | C8 | O3 | 178.6° | 180.0° |
| HN3 | N3 | C8 | C7 | 1.6° | 0.1° |
| HN3 | N3 | C16 | C17 | 76.9° | 95.0° |
| HN3 | N3 | C16 | C19 | 47.8° | 25.0° |
| HN3 | N3 | C16 | H16 | 165.2° | 145.0° |
| O3 | C8 | C7 | C9 | 84.9° | 120.0° |
| O3 | C8 | C7 | H7 | 156.1° | 120.0° |
| C19 | N4 | C20 | HN4 | 180.0° | 180.0° |
| N4 | C19 | O4 | C16 | 170.5° | 180.0° |
| N4 | C19 | C16 | C17 | 154.6° | 60.0° |
| N4 | C19 | C16 | H16 | 36.9° | 60.0° |
| C19 | N4 | C20 | C21 | 123.6° | 85.0° |
| C19 | N4 | C20 | C28 | 110.9° | 155.0° |
| C19 | N4 | C20 | H20 | 6.2° | 35.0° |
| C20 | N4 | C19 | O4 | 3.4° | 0.0° |
| N4 | C20 | C28 | O5 | 71.5° | 60.0° |
| C20 | N4 | C19 | C16 | 174.2° | 180.0° |
| N4 | C20 | C21 | C28 | 124.9° | 120.0° |
| N4 | C20 | C21 | H20 | 118.1° | 120.0° |
| N4 | C20 | C28 | H20 | 118.1° | 120.0° |
| N4 | C20 | C21 | C22 | 52.7° | 65.0° |
| N4 | C20 | C21 | H21 | 67.3° | 55.0° |
| N4 | C20 | C21 | H21A | 172.7° | 175.0° |
| N4 | C20 | C28 | C29 | 61.2° | 60.0° |
| N4 | C20 | C28 | H28 | 175.2° | 180.0° |
| HN4 | N4 | C19 | O4 | 176.6° | 180.0° |
| HN4 | N4 | C19 | C16 | 5.8° | 0.0° |
| HN4 | N4 | C20 | C21 | 56.4° | 95.0° |
| HN4 | N4 | C20 | C28 | 69.1° | 25.0° |
| HN4 | N4 | C20 | H20 | 173.8° | 145.0° |
| O4 | C19 | C16 | C17 | 34.4° | 120.0° |
| O4 | C19 | C16 | H16 | 152.1° | 119.9° |
| N5 | C32 | C31 | C30 | 0.0° | 0.0° |
| N5 | C32 | C31 | H32 | 180.0° | 180.0° |
| N5 | C32 | C31 | H31 | 180.0° | 180.0° |
| C32 | N5 | C33 | C34 | 0.1° | 0.0° |
| C32 | N5 | C33 | H33 | 179.9° | 180.0° |
| N5 | C33 | C34 | C30 | 0.1° | 0.0° |
| C33 | N5 | C32 | C31 | 0.0° | 0.0° |
| C33 | N5 | C32 | H32 | 180.0° | 180.0° |
| N5 | C33 | C34 | H33 | 180.0° | 180.0° |
| N5 | C33 | C34 | H34 | 179.9° | 180.0° |
| O5 | C28 | C29 | O6 | 45.2° | 65.0° |
| O5 | C28 | C20 | C21 | 53.2° | 60.0° |
| O5 | C28 | C20 | C29 | 132.7° | 120.0° |
| O5 | C28 | C20 | H28 | 113.3° | 119.9° |
| O5 | C28 | C20 | H20 | 170.4° | 180.0° |
| O5 | C28 | C29 | H28 | 112.4° | 120.0° |
| O5 | C28 | C29 | H29 | 165.2° | 175.0° |
| O5 | C28 | C29 | H29A | 74.8° | 55.0° |
| HO5 | O5 | C28 | C20 | 180.0° | 60.0° |
| HO5 | O5 | C28 | C29 | 49.6° | 60.0° |
| HO5 | O5 | C28 | H28 | 63.4° | 180.0° |
| O6 | C29 | C28 | C20 | 176.0° | 175.0° |
| O6 | C29 | C28 | H29 | 120.0° | 120.0° |
| O6 | C29 | C28 | H29A | 120.0° | 120.0° |
| O6 | C29 | C28 | H28 | 67.1° | 55.0° |
| O6 | C29 | H29 | H29A | 119.6° | 120.0° |
| C29 | O6 | C30 | C31 | 5.8° | 0.0° |
| C29 | O6 | C30 | C34 | 174.2° | 180.0° |
| C30 | O6 | C29 | C28 | 177.1° | 180.0° |
| C30 | O6 | C29 | H29 | 62.9° | 60.1° |
| C30 | O6 | C29 | H29A | 57.1° | 60.0° |
| O6 | C30 | C31 | C34 | 180.0° | 180.0° |
| O6 | C30 | C31 | C32 | 179.9° | 180.0° |
| O6 | C30 | C31 | H31 | 0.0° | 0.0° |
| O6 | C30 | C34 | C33 | 180.0° | 180.0° |
| O6 | C30 | C34 | H34 | 0.0° | 0.0° |
| C9 | C7 | C8 | H7 | 119.1° | 120.0° |
| C7 | C9 | C10 | H9 | 120.0° | 119.9° |
| C7 | C9 | C10 | H9A | 120.0° | 120.0° |
| C7 | C9 | H9 | H9A | 118.4° | 120.1° |
| C7 | C9 | C10 | C11 | 71.4° | 89.8° |
| C7 | C9 | C10 | C12 | 107.9° | 90.0° |
| C8 | C7 | C9 | C10 | 177.3° | 175.1° |
| C8 | C7 | C9 | H9 | 62.7° | 65.0° |
| C8 | C7 | C9 | H9A | 57.2° | 55.1° |
| H7 | C7 | C9 | C10 | 58.7° | 55.0° |
| H7 | C7 | C9 | H9 | 178.7° | 175.0° |
| H7 | C7 | C9 | H9A | 61.3° | 65.0° |
| C10 | C9 | H9 | H9A | 118.4° | 120.0° |
| C9 | C10 | C11 | C12 | 179.3° | 179.8° |
| C9 | C10 | C11 | C13 | 179.9° | 180.0° |
| C9 | C10 | C11 | H11 | 0.1° | 0.1° |
| C9 | C10 | C12 | C14 | 180.0° | 180.0° |
| C9 | C10 | C12 | H12 | 0.0° | 0.0° |
| H9 | C9 | C10 | C11 | 48.6° | 150.3° |
| H9 | C9 | C10 | C12 | 132.1° | 29.9° |
| H9A | C9 | C10 | C11 | 168.6° | 30.2° |
| H9A | C9 | C10 | C12 | 12.1° | 150.0° |
| C10 | C11 | C13 | H11 | 180.0° | 179.9° |
| C11 | C10 | C12 | C14 | 0.7° | 0.2° |
| C11 | C10 | C12 | H12 | 179.3° | 179.8° |
| C10 | C11 | C13 | C15 | 0.2° | 0.1° |
| C10 | C11 | C13 | H13 | 179.8° | 180.0° |
| C12 | C10 | C11 | C13 | 0.6° | 0.2° |
| C12 | C10 | C11 | H11 | 179.4° | 179.7° |
| C10 | C12 | C14 | H12 | 180.0° | 180.0° |
| C10 | C12 | C14 | C15 | 0.4° | 0.1° |
| C10 | C12 | C14 | H14 | 179.5° | 180.0° |
| C11 | C13 | C15 | H13 | 180.0° | 179.9° |
| C11 | C13 | C15 | C14 | 0.0° | 0.4° |
| C11 | C13 | C15 | H15 | 180.0° | 179.9° |
| H11 | C11 | C13 | C15 | 179.8° | 180.0° |
| H11 | C11 | C13 | H13 | 0.2° | 0.1° |
| C12 | C14 | C15 | C13 | 0.1° | 0.4° |
| C12 | C14 | C15 | H14 | 180.0° | 179.9° |
| C12 | C14 | C15 | H15 | 179.9° | 179.9° |
| H12 | C12 | C14 | C15 | 179.5° | 179.9° |
| H12 | C12 | C14 | H14 | 0.5° | 0.0° |
| C13 | C15 | C14 | H15 | 180.0° | 179.7° |
| C13 | C15 | C14 | H14 | 179.9° | 179.7° |
| H13 | C13 | C15 | C14 | 179.9° | 179.7° |
| H13 | C13 | C15 | H15 | 0.0° | 0.1° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C17 | C16 | C19 | H16 | 117.7° | 120.0° |
| C16 | C17 | H17 | H17A | 123.4° | 120.0° |
| C19 | C16 | C17 | H17 | 49.4° | 60.0° |
| C19 | C16 | C17 | H17A | 169.4° | 59.9° |
| H16 | C16 | C17 | H17 | 166.7° | 60.1° |
| H16 | C16 | C17 | H17A | 73.3° | 180.0° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
| C21 | C20 | C28 | H20 | 117.2° | 120.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21A | 117.8° | 120.0° |
| C20 | C21 | C22 | C23 | 60.5° | 65.0° |
| C20 | C21 | C22 | C24 | 175.2° | 175.0° |
| C20 | C21 | C22 | H22 | 56.6° | 54.9° |
| C21 | C20 | C28 | C29 | 174.1° | 180.0° |
| C21 | C20 | C28 | H28 | 60.0° | 60.0° |
| C28 | C20 | C21 | C22 | 177.6° | 175.0° |
| C28 | C20 | C21 | H21 | 57.6° | 65.0° |
| C28 | C20 | C21 | H21A | 62.4° | 55.0° |
| C20 | C28 | C29 | H28 | 116.8° | 120.0° |
| C20 | C28 | C29 | H29 | 64.0° | 55.0° |
| C20 | C28 | C29 | H29A | 56.0° | 65.0° |
| H20 | C20 | C21 | C22 | 65.4° | 55.0° |
| H20 | C20 | C21 | H21 | 174.6° | 175.0° |
| H20 | C20 | C21 | H21A | 54.6° | 65.0° |
| H20 | C20 | C28 | C29 | 56.9° | 60.0° |
| H20 | C20 | C28 | H28 | 57.2° | 60.1° |
| C22 | C21 | H21 | H21A | 117.8° | 120.0° |
| C21 | C22 | C23 | C24 | 124.2° | 120.0° |
| C21 | C22 | C23 | H22 | 117.2° | 120.0° |
| C21 | C22 | C24 | H22 | 117.3° | 120.0° |
| C21 | C22 | C23 | C25 | 179.3° | 180.0° |
| C21 | C22 | C23 | H23 | 60.7° | 60.0° |
| C21 | C22 | C23 | H23A | 59.3° | 60.0° |
| C21 | C22 | C24 | C26 | 179.6° | 180.0° |
| C21 | C22 | C24 | H24 | 59.6° | 60.0° |
| C21 | C22 | C24 | H24A | 60.4° | 60.0° |
| H21 | C21 | C22 | C23 | 179.4° | 175.0° |
| H21 | C21 | C22 | C24 | 55.2° | 55.0° |
| H21 | C21 | C22 | H22 | 63.4° | 65.0° |
| H21A | C21 | C22 | C23 | 59.5° | 55.0° |
| H21A | C21 | C22 | C24 | 64.8° | 65.0° |
| H21A | C21 | C22 | H22 | 176.6° | 175.0° |
| C23 | C22 | C24 | H22 | 117.3° | 120.0° |
| C22 | C23 | C25 | H23 | 120.0° | 120.0° |
| C22 | C23 | C25 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23A | 119.4° | 120.0° |
| C23 | C22 | C24 | C26 | 55.0° | 60.0° |
| C23 | C22 | C24 | H24 | 175.1° | 180.0° |
| C23 | C22 | C24 | H24A | 65.0° | 60.0° |
| C22 | C23 | C25 | C27 | 56.6° | 60.0° |
| C22 | C23 | C25 | H25 | 176.6° | 180.0° |
| C22 | C23 | C25 | H25A | 63.4° | 60.0° |
| C24 | C22 | C23 | C25 | 56.5° | 60.0° |
| C24 | C22 | C23 | H23 | 63.5° | 60.0° |
| C24 | C22 | C23 | H23A | 176.5° | 180.0° |
| C22 | C24 | C26 | H24 | 120.0° | 120.0° |
| C22 | C24 | C26 | H24A | 120.0° | 120.0° |
| C22 | C24 | H24 | H24A | 118.9° | 120.0° |
| C22 | C24 | C26 | C27 | 53.2° | 60.0° |
| C22 | C24 | C26 | H26 | 66.8° | 60.0° |
| C22 | C24 | C26 | H26A | 173.2° | 180.0° |
| H22 | C22 | C23 | C25 | 62.1° | 60.0° |
| H22 | C22 | C23 | H23 | 177.9° | 179.9° |
| H22 | C22 | C23 | H23A | 57.9° | 59.9° |
| H22 | C22 | C24 | C26 | 62.3° | 60.0° |
| H22 | C22 | C24 | H24 | 57.7° | 60.0° |
| H22 | C22 | C24 | H24A | 177.7° | 180.0° |
| C25 | C23 | H23 | H23A | 119.4° | 120.0° |
| C23 | C25 | C27 | H25 | 120.0° | 120.0° |
| C23 | C25 | C27 | H25A | 120.0° | 120.0° |
| C23 | C25 | H25 | H25A | 119.2° | 120.0° |
| C23 | C25 | C27 | C26 | 54.4° | 60.0° |
| C23 | C25 | C27 | H27 | 65.6° | 60.0° |
| C23 | C25 | C27 | H27A | 174.4° | 179.9° |
| H23 | C23 | C25 | C27 | 63.4° | 60.0° |
| H23 | C23 | C25 | H25 | 56.6° | 60.0° |
| H23 | C23 | C25 | H25A | 176.6° | 180.0° |
| H23A | C23 | C25 | C27 | 176.6° | 180.0° |
| H23A | C23 | C25 | H25 | 63.4° | 60.0° |
| H23A | C23 | C25 | H25A | 56.6° | 60.0° |
| C26 | C24 | H24 | H24A | 118.9° | 119.9° |
| C24 | C26 | C27 | C25 | 52.6° | 60.0° |
| C24 | C26 | C27 | H26 | 120.0° | 120.0° |
| C24 | C26 | C27 | H26A | 120.0° | 120.1° |
| C24 | C26 | H26 | H26A | 119.0° | 120.1° |
| C24 | C26 | C27 | H27 | 67.4° | 60.1° |
| C24 | C26 | C27 | H27A | 172.7° | 179.9° |
| H24 | C24 | C26 | C27 | 173.2° | 180.0° |
| H24 | C24 | C26 | H26 | 53.2° | 60.0° |
| H24 | C24 | C26 | H26A | 66.8° | 60.0° |
| H24A | C24 | C26 | C27 | 66.8° | 60.1° |
| H24A | C24 | C26 | H26 | 173.2° | 180.0° |
| H24A | C24 | C26 | H26A | 53.2° | 60.0° |
| C27 | C25 | H25 | H25A | 119.2° | 120.0° |
| C25 | C27 | C26 | H27 | 120.0° | 120.0° |
| C25 | C27 | C26 | H27A | 120.0° | 120.0° |
| C25 | C27 | C26 | H26 | 67.4° | 60.0° |
| C25 | C27 | C26 | H26A | 172.7° | 179.9° |
| C25 | C27 | H27 | H27A | 119.1° | 120.0° |
| H25 | C25 | C27 | C26 | 174.4° | 180.0° |
| H25 | C25 | C27 | H27 | 54.4° | 60.0° |
| H25 | C25 | C27 | H27A | 65.6° | 60.1° |
| H25A | C25 | C27 | C26 | 65.6° | 60.0° |
| H25A | C25 | C27 | H27 | 174.4° | 180.0° |
| H25A | C25 | C27 | H27A | 54.4° | 60.0° |
| C27 | C26 | H26 | H26A | 119.0° | 119.9° |
| C26 | C27 | H27 | H27A | 119.0° | 120.0° |
| H26 | C26 | C27 | H27 | 172.6° | 180.0° |
| H26 | C26 | C27 | H27A | 52.6° | 60.0° |
| H26A | C26 | C27 | H27 | 52.6° | 60.0° |
| H26A | C26 | C27 | H27A | 67.3° | 60.0° |
| C28 | C29 | H29 | H29A | 119.6° | 120.0° |
| H28 | C28 | C29 | H29 | 52.8° | 65.0° |
| H28 | C28 | C29 | H29A | 172.9° | 175.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | H32 | 180.0° | 180.0° |
| C31 | C30 | C34 | C33 | 0.0° | 0.0° |
| C31 | C30 | C34 | H34 | 180.0° | 179.9° |
| C34 | C30 | C31 | C32 | 0.0° | 0.0° |
| C34 | C30 | C31 | H31 | 180.0° | 180.0° |
| C30 | C34 | C33 | H34 | 180.0° | 180.0° |
| C30 | C34 | C33 | H33 | 179.9° | 180.0° |
| H31 | C31 | C32 | H32 | 0.0° | 0.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
