JBS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | O2 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| O2 | C21 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.48Å | |
| C24 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | N5 | sing | 1.47Å | 1.48Å | |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C16 | sing | 1.43Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| N5 | C8 | sing | 1.38Å | 1.42Å | |
| C15 | N3 | sing | 1.46Å | 1.48Å | |
| C14 | N3 | sing | 1.35Å | 1.33Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
| C8 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C9 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C9 | sing | 1.48Å | 1.47Å | |
| C13 | C19 | sing | 1.41Å | 1.38Å | Aromatic |
| C9 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| N4 | C19 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | N | doub | 1.30Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.40Å | Aromatic |
| N | O | sing | 1.21Å | 1.39Å | Aromatic |
| N2 | C10 | sing | 1.34Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C2 | sing | 1.48Å | 1.49Å | |
| C5 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| O | C1 | sing | 1.34Å | 1.35Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.48Å | |
| C11 | C12 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | H1 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C22 | C23 | 109.2° | 109.3° |
| C22 | O2 | C21 | 112.2° | 113.7° |
| O2 | C22 | H25 | 109.5° | 109.5° |
| O2 | C22 | H26 | 109.5° | 109.5° |
| C22 | C23 | C24 | 109.7° | 109.5° |
| C22 | C23 | N5 | 104.8° | 109.2° |
| C23 | C22 | H25 | 109.5° | 109.5° |
| C23 | C22 | H26 | 109.5° | 109.5° |
| C22 | C23 | H27 | 109.7° | 109.5° |
| O2 | C21 | C20 | 108.2° | 109.3° |
| O2 | C21 | H23 | 109.8° | 109.5° |
| O2 | C21 | H24 | 109.8° | 109.5° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C26 | C25 | C24 | 119.5° | 120.0° |
| C26 | C25 | H28 | 120.3° | 120.0° |
| C25 | C26 | H29 | 119.8° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C27 | C26 | H29 | 119.9° | 120.0° |
| C26 | C27 | H30 | 119.9° | 120.0° |
| C25 | C24 | C23 | 119.1° | 120.0° |
| C25 | C24 | C29 | 120.7° | 120.0° |
| C24 | C25 | H28 | 120.3° | 120.0° |
| C27 | C28 | C29 | 119.7° | 120.0° |
| C28 | C27 | H30 | 119.9° | 120.0° |
| C27 | C28 | H31 | 120.1° | 119.9° |
| C23 | C24 | C29 | 120.2° | 120.0° |
| C24 | C23 | N5 | 111.4° | 109.5° |
| C24 | C23 | H27 | 110.6° | 109.5° |
| C24 | C29 | C28 | 119.6° | 120.0° |
| C24 | C29 | H32 | 120.2° | 120.0° |
| C23 | N5 | C20 | 109.1° | 110.7° |
| C23 | N5 | C8 | 115.7° | 111.0° |
| N5 | C23 | H27 | 110.6° | 109.5° |
| C29 | C28 | H31 | 120.1° | 120.1° |
| C28 | C29 | H32 | 120.2° | 119.9° |
| O1 | C16 | C17 | 106.7° | 109.4° |
| O1 | C16 | C15 | 109.1° | 109.4° |
| O1 | C16 | C18 | 109.3° | 109.5° |
| C16 | O1 | H2 | 109.5° | 113.9° |
| C21 | C20 | N5 | 109.1° | 109.3° |
| C21 | C20 | H21 | 109.6° | 109.5° |
| C21 | C20 | H22 | 109.6° | 109.6° |
| C20 | C21 | H23 | 109.8° | 109.5° |
| C20 | C21 | H24 | 109.8° | 109.5° |
| C17 | C16 | C15 | 108.8° | 109.5° |
| C17 | C16 | C18 | 111.6° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C16 | C17 | H5 | 109.4° | 109.5° |
| C15 | C16 | C18 | 111.2° | 109.5° |
| C16 | C15 | N3 | 115.4° | 109.5° |
| C16 | C15 | H9 | 108.0° | 109.5° |
| C16 | C15 | H10 | 108.0° | 109.5° |
| C16 | C18 | H6 | 109.5° | 109.4° |
| C16 | C18 | H7 | 109.5° | 109.5° |
| C16 | C18 | H8 | 109.4° | 109.5° |
| C20 | N5 | C8 | 107.3° | 111.0° |
| N5 | C20 | H21 | 109.6° | 109.5° |
| N5 | C20 | H22 | 109.6° | 109.5° |
| N5 | C8 | N1 | 121.3° | 120.8° |
| N5 | C8 | C7 | 120.8° | 120.8° |
| C15 | N3 | C14 | 133.1° | 125.9° |
| C15 | N3 | N4 | 117.3° | 125.9° |
| N3 | C15 | H9 | 108.0° | 109.5° |
| N3 | C15 | H10 | 107.9° | 109.5° |
| N3 | C14 | C13 | 106.4° | 107.6° |
| C14 | N3 | N4 | 109.4° | 108.3° |
| N3 | C14 | H11 | 126.8° | 126.1° |
| C14 | C13 | C9 | 124.6° | 126.2° |
| C14 | C13 | C19 | 109.5° | 107.5° |
| C13 | C14 | H11 | 126.8° | 126.3° |
| N1 | C8 | C7 | 117.9° | 118.4° |
| C8 | N1 | C9 | 121.6° | 121.4° |
| C8 | C7 | C6 | 122.4° | 121.9° |
| C8 | C7 | C10 | 119.0° | 118.3° |
| N1 | C9 | C13 | 118.1° | 118.6° |
| N1 | C9 | N2 | 123.3° | 122.7° |
| N3 | N4 | C19 | 107.8° | 108.6° |
| C9 | C13 | C19 | 125.9° | 126.3° |
| C13 | C9 | N2 | 118.6° | 118.7° |
| C13 | C19 | N4 | 106.8° | 108.0° |
| C13 | C19 | H1 | 126.6° | 126.0° |
| C9 | N2 | C10 | 117.9° | 120.5° |
| C6 | C7 | C10 | 118.6° | 119.8° |
| C7 | C6 | C5 | 120.6° | 119.3° |
| C7 | C6 | H20 | 119.7° | 120.3° |
| C7 | C10 | N2 | 120.3° | 118.8° |
| C7 | C10 | C11 | 118.9° | 119.6° |
| C4 | C3 | N | 125.9° | 126.9° |
| C4 | C3 | C2 | 124.2° | 126.8° |
| C3 | C4 | H17 | 109.5° | 109.5° |
| C3 | C4 | H18 | 109.5° | 109.5° |
| C3 | C4 | H19 | 109.5° | 109.4° |
| C6 | C5 | C2 | 118.1° | 119.7° |
| C6 | C5 | C12 | 120.4° | 120.5° |
| C5 | C6 | H20 | 119.7° | 120.4° |
| N4 | C19 | H1 | 126.6° | 126.0° |
| N | C3 | C2 | 109.9° | 106.3° |
| C3 | N | O | 105.9° | 111.9° |
| C3 | C2 | C5 | 128.5° | 128.2° |
| C3 | C2 | C1 | 106.2° | 103.7° |
| N | O | C1 | 110.1° | 111.9° |
| N2 | C10 | C11 | 120.7° | 121.7° |
| C10 | C11 | C12 | 121.9° | 119.9° |
| C10 | C11 | H12 | 119.1° | 120.1° |
| C2 | C5 | C12 | 121.4° | 119.8° |
| C5 | C2 | C1 | 125.2° | 128.1° |
| C5 | C12 | C11 | 119.5° | 120.9° |
| C5 | C12 | H13 | 120.3° | 119.5° |
| C2 | C1 | O | 107.9° | 106.2° |
| C2 | C1 | C | 133.8° | 126.9° |
| O | C1 | C | 118.1° | 126.9° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C12 | C11 | H12 | 119.0° | 120.0° |
| C11 | C12 | H13 | 120.3° | 119.6° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H8 | 109.5° | 109.4° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.4° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
| H17 | C4 | H18 | 109.5° | 109.5° |
| H17 | C4 | H19 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C22 | C23 | H25 | 120.0° | 120.0° |
| O2 | C22 | C23 | H26 | 120.0° | 120.0° |
| O2 | C22 | C23 | C24 | 177.5° | 176.8° |
| O2 | C22 | C23 | N5 | 62.8° | 56.8° |
| C22 | O2 | C21 | C20 | 58.6° | 58.7° |
| C22 | O2 | C21 | H23 | 178.4° | 178.7° |
| C22 | O2 | C21 | H24 | 61.2° | 61.3° |
| O2 | C22 | H25 | H26 | 120.1° | 120.1° |
| O2 | C22 | C23 | H27 | 55.9° | 63.1° |
| C23 | C22 | O2 | C21 | 62.7° | 58.6° |
| C22 | C23 | C24 | C25 | 114.0° | 79.7° |
| C22 | C23 | C24 | N5 | 115.5° | 119.8° |
| C22 | C23 | C24 | H27 | 121.1° | 120.1° |
| C22 | C23 | C24 | C29 | 67.5° | 100.0° |
| C22 | C23 | N5 | H27 | 118.1° | 119.9° |
| C22 | C23 | N5 | C20 | 64.0° | 58.6° |
| C22 | C23 | N5 | C8 | 175.0° | 177.7° |
| C23 | C22 | H25 | H26 | 120.1° | 120.0° |
| O2 | C21 | C20 | H23 | 119.8° | 120.0° |
| O2 | C21 | C20 | H24 | 119.8° | 119.9° |
| O2 | C21 | C20 | N5 | 58.0° | 56.9° |
| O2 | C21 | C20 | H21 | 62.0° | 176.8° |
| O2 | C21 | C20 | H22 | 178.0° | 63.1° |
| O2 | C21 | H23 | H24 | 120.6° | 120.1° |
| C21 | O2 | C22 | H25 | 57.3° | 61.3° |
| C21 | O2 | C22 | H26 | 177.3° | 178.6° |
| C25 | C26 | C27 | H29 | 180.0° | 180.0° |
| C26 | C25 | C24 | H28 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.9° | 0.0° |
| C26 | C25 | C24 | C23 | 177.8° | 180.0° |
| C26 | C25 | C24 | C29 | 0.7° | 0.3° |
| C25 | C26 | C27 | H30 | 179.1° | 179.9° |
| C27 | C26 | C25 | C24 | 0.9° | 0.0° |
| C26 | C27 | C28 | H30 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.7° | 0.2° |
| C27 | C26 | C25 | H28 | 179.1° | 180.0° |
| C26 | C27 | C28 | H31 | 179.3° | 180.0° |
| C25 | C24 | C23 | C29 | 178.5° | 179.7° |
| C25 | C24 | C23 | N5 | 130.4° | 40.1° |
| C25 | C24 | C29 | C28 | 0.6° | 0.5° |
| C25 | C24 | C23 | H27 | 7.0° | 160.2° |
| C24 | C25 | C26 | H29 | 179.1° | 180.0° |
| C25 | C24 | C29 | H32 | 179.5° | 179.8° |
| C27 | C28 | C29 | C24 | 0.5° | 0.5° |
| C27 | C28 | C29 | H31 | 180.0° | 179.8° |
| C28 | C27 | C26 | H29 | 179.1° | 180.0° |
| C27 | C28 | C29 | H32 | 179.5° | 179.8° |
| C24 | C23 | N5 | H27 | 123.4° | 120.1° |
| C23 | C24 | C29 | C28 | 177.9° | 179.8° |
| C24 | C23 | N5 | C20 | 177.5° | 178.6° |
| C24 | C23 | N5 | C8 | 56.5° | 57.7° |
| C24 | C23 | C22 | H25 | 62.5° | 56.8° |
| C24 | C23 | C22 | H26 | 57.5° | 63.2° |
| C23 | C24 | C25 | H28 | 2.2° | 0.0° |
| C23 | C24 | C29 | H32 | 2.1° | 0.0° |
| C29 | C24 | C23 | N5 | 48.1° | 140.2° |
| C24 | C29 | C28 | H32 | 180.0° | 179.7° |
| C29 | C24 | C23 | H27 | 171.5° | 20.1° |
| C29 | C24 | C25 | H28 | 179.3° | 179.7° |
| C24 | C29 | C28 | H31 | 179.5° | 179.7° |
| C23 | N5 | C20 | C21 | 63.3° | 58.6° |
| C23 | N5 | C20 | C8 | 126.0° | 123.7° |
| C23 | N5 | C8 | N1 | 20.8° | 54.2° |
| C23 | N5 | C8 | C7 | 160.0° | 125.7° |
| C23 | N5 | C20 | H21 | 56.7° | 178.6° |
| C23 | N5 | C20 | H22 | 176.7° | 61.4° |
| N5 | C23 | C22 | H25 | 57.1° | 63.1° |
| N5 | C23 | C22 | H26 | 177.2° | 176.8° |
| C29 | C28 | C27 | H30 | 179.3° | 179.8° |
| O1 | C16 | C17 | C15 | 117.6° | 119.9° |
| O1 | C16 | C17 | C18 | 119.4° | 120.0° |
| O1 | C16 | C15 | C18 | 120.6° | 120.0° |
| O1 | C16 | C15 | N3 | 65.1° | 65.0° |
| O1 | C16 | C17 | H3 | 180.0° | 60.0° |
| O1 | C16 | C17 | H4 | 60.0° | 60.1° |
| O1 | C16 | C17 | H5 | 60.0° | 180.0° |
| O1 | C16 | C18 | H6 | 180.0° | 180.0° |
| O1 | C16 | C18 | H7 | 60.0° | 60.0° |
| O1 | C16 | C18 | H8 | 60.0° | 60.1° |
| O1 | C16 | C15 | H9 | 55.8° | 175.0° |
| O1 | C16 | C15 | H10 | 174.0° | 55.0° |
| C21 | C20 | N5 | H21 | 120.0° | 119.9° |
| C21 | C20 | N5 | H22 | 120.0° | 120.0° |
| C21 | C20 | N5 | C8 | 170.7° | 177.6° |
| C21 | C20 | H21 | H22 | 120.1° | 120.1° |
| C20 | C21 | H23 | H24 | 120.6° | 120.1° |
| C17 | C16 | C15 | C18 | 123.3° | 120.0° |
| C17 | C16 | C15 | N3 | 178.8° | 54.9° |
| C17 | C16 | O1 | H2 | 180.0° | 60.1° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C17 | C16 | C18 | H6 | 62.2° | 60.0° |
| C17 | C16 | C18 | H7 | 57.8° | 60.0° |
| C17 | C16 | C18 | H8 | 177.8° | 180.0° |
| C17 | C16 | C15 | H9 | 60.3° | 65.0° |
| C17 | C16 | C15 | H10 | 57.9° | 175.0° |
| C16 | C15 | N3 | H9 | 120.9° | 120.0° |
| C16 | C15 | N3 | H10 | 120.9° | 120.0° |
| C16 | C15 | N3 | C14 | 88.3° | 125.3° |
| C16 | C15 | N3 | N4 | 95.8° | 55.0° |
| C15 | C16 | O1 | H2 | 62.6° | 180.0° |
| C15 | C16 | C17 | H3 | 62.4° | 60.0° |
| C15 | C16 | C17 | H4 | 57.6° | 180.0° |
| C15 | C16 | C17 | H5 | 177.6° | 60.1° |
| C15 | C16 | C18 | H6 | 59.5° | 60.0° |
| C15 | C16 | C18 | H7 | 179.5° | 180.0° |
| C15 | C16 | C18 | H8 | 60.5° | 59.9° |
| C16 | C15 | H9 | H10 | 117.3° | 120.0° |
| C18 | C16 | C15 | N3 | 55.5° | 175.0° |
| C18 | C16 | O1 | H2 | 59.2° | 59.9° |
| C18 | C16 | C17 | H3 | 60.7° | 180.0° |
| C18 | C16 | C17 | H4 | 179.3° | 59.9° |
| C18 | C16 | C17 | H5 | 59.3° | 60.0° |
| C16 | C18 | H6 | H7 | 120.0° | 120.0° |
| C16 | C18 | H6 | H8 | 120.0° | 119.9° |
| C16 | C18 | H7 | H8 | 120.0° | 120.0° |
| C18 | C16 | C15 | H9 | 176.4° | 55.0° |
| C18 | C16 | C15 | H10 | 65.4° | 65.0° |
| C20 | N5 | C8 | N1 | 101.1° | 69.4° |
| C20 | N5 | C8 | C7 | 78.0° | 110.7° |
| N5 | C20 | H21 | H22 | 120.1° | 120.1° |
| N5 | C20 | C21 | H23 | 177.8° | 176.8° |
| N5 | C20 | C21 | H24 | 61.8° | 63.1° |
| C20 | N5 | C23 | H27 | 54.1° | 61.3° |
| N5 | C8 | N1 | C7 | 179.2° | 179.9° |
| N5 | C8 | N1 | C9 | 178.8° | 180.0° |
| N5 | C8 | C7 | C6 | 0.2° | 0.1° |
| N5 | C8 | C7 | C10 | 179.6° | 179.8° |
| C8 | N5 | C20 | H21 | 69.3° | 57.7° |
| C8 | N5 | C20 | H22 | 50.7° | 62.3° |
| C8 | N5 | C23 | H27 | 66.9° | 62.4° |
| C15 | N3 | C14 | N4 | 176.1° | 179.8° |
| C15 | N3 | C14 | C13 | 176.9° | 179.8° |
| C15 | N3 | N4 | C19 | 178.6° | 180.0° |
| N3 | C15 | H9 | H10 | 117.2° | 120.0° |
| C15 | N3 | C14 | H11 | 3.1° | 0.3° |
| N3 | C14 | C13 | H11 | 180.0° | 179.9° |
| N3 | C14 | C13 | C9 | 179.5° | 179.8° |
| N3 | C14 | C13 | C19 | 0.4° | 0.1° |
| C14 | N3 | N4 | C19 | 1.8° | 0.2° |
| C14 | N3 | C15 | H9 | 32.6° | 5.3° |
| C14 | N3 | C15 | H10 | 150.8° | 114.7° |
| C14 | C13 | C9 | N1 | 26.1° | 179.7° |
| C13 | C14 | N3 | N4 | 0.8° | 0.0° |
| C14 | C13 | C9 | C19 | 179.9° | 179.9° |
| C14 | C13 | C9 | N2 | 151.7° | 0.0° |
| C14 | C13 | C19 | N4 | 1.5° | 0.3° |
| C14 | C13 | C19 | H1 | 178.5° | 179.9° |
| C8 | N1 | C9 | C13 | 179.5° | 180.0° |
| C8 | N1 | C9 | N2 | 1.8° | 0.2° |
| N1 | C8 | C7 | C6 | 179.4° | 180.0° |
| N1 | C8 | C7 | C10 | 0.4° | 0.3° |
| C7 | C8 | N1 | C9 | 0.3° | 0.1° |
| C8 | C7 | C6 | C10 | 179.8° | 179.7° |
| C8 | C7 | C6 | C5 | 179.8° | 179.8° |
| C8 | C7 | C10 | N2 | 0.2° | 0.2° |
| C8 | C7 | C10 | C11 | 179.0° | 179.8° |
| C8 | C7 | C6 | H20 | 0.2° | 0.3° |
| N1 | C9 | C13 | N2 | 177.8° | 179.8° |
| N1 | C9 | C13 | C19 | 154.0° | 0.2° |
| N1 | C9 | N2 | C10 | 2.3° | 0.3° |
| N3 | N4 | C19 | C13 | 2.0° | 0.3° |
| N3 | N4 | C19 | H1 | 178.1° | 180.0° |
| N4 | N3 | C15 | H9 | 143.3° | 175.0° |
| N4 | N3 | C15 | H10 | 25.1° | 65.0° |
| N4 | N3 | C14 | H11 | 179.2° | 179.9° |
| C9 | C13 | C19 | N4 | 178.4° | 179.7° |
| C13 | C9 | N2 | C10 | 180.0° | 180.0° |
| C9 | C13 | C19 | H1 | 1.6° | 0.0° |
| C9 | C13 | C14 | H11 | 0.5° | 0.3° |
| C19 | C13 | C9 | N2 | 28.2° | 180.0° |
| C13 | C19 | N4 | H1 | 180.0° | 179.7° |
| C19 | C13 | C14 | H11 | 179.6° | 179.8° |
| C9 | N2 | C10 | C7 | 1.5° | 0.0° |
| C9 | N2 | C10 | C11 | 177.7° | 180.0° |
| C7 | C6 | C5 | H20 | 180.0° | 179.9° |
| C6 | C7 | C10 | N2 | 180.0° | 179.9° |
| C6 | C7 | C10 | C11 | 0.8° | 0.1° |
| C7 | C6 | C5 | C2 | 178.7° | 180.0° |
| C7 | C6 | C5 | C12 | 1.5° | 0.1° |
| C10 | C7 | C6 | C5 | 0.5° | 0.1° |
| C7 | C10 | N2 | C11 | 179.2° | 180.0° |
| C7 | C10 | C11 | C12 | 1.0° | 0.0° |
| C7 | C10 | C11 | H12 | 179.0° | 180.0° |
| C10 | C7 | C6 | H20 | 179.5° | 180.0° |
| C4 | C3 | N | C2 | 178.8° | 179.7° |
| C4 | C3 | N | O | 178.7° | 180.0° |
| C4 | C3 | C2 | C5 | 0.7° | 0.2° |
| C4 | C3 | C2 | C1 | 177.6° | 180.0° |
| C3 | C4 | H17 | H18 | 120.0° | 120.0° |
| C3 | C4 | H17 | H19 | 120.0° | 120.0° |
| C3 | C4 | H18 | H19 | 120.0° | 120.0° |
| C6 | C5 | C2 | C3 | 45.7° | 64.8° |
| C6 | C5 | C2 | C12 | 179.8° | 179.9° |
| C6 | C5 | C2 | C1 | 130.6° | 115.0° |
| C6 | C5 | C12 | C11 | 1.2° | 0.0° |
| C6 | C5 | C12 | H13 | 178.8° | 180.0° |
| N | C3 | C2 | C5 | 178.1° | 179.9° |
| N | C3 | C2 | C1 | 1.2° | 0.3° |
| C3 | N | O | C1 | 1.2° | 0.2° |
| N | C3 | C4 | H17 | 0.0° | 89.9° |
| N | C3 | C4 | H18 | 120.0° | 150.0° |
| N | C3 | C4 | H19 | 120.0° | 30.0° |
| C2 | C3 | N | O | 0.0° | 0.4° |
| C3 | C2 | C5 | C1 | 176.3° | 179.7° |
| C3 | C2 | C5 | C12 | 134.1° | 115.3° |
| C3 | C2 | C1 | O | 2.0° | 0.2° |
| C3 | C2 | C1 | C | 177.0° | 179.8° |
| C2 | C3 | C4 | H17 | 178.6° | 90.5° |
| C2 | C3 | C4 | H18 | 61.4° | 29.6° |
| C2 | C3 | C4 | H19 | 58.6° | 149.5° |
| N | O | C1 | C2 | 2.0° | 0.0° |
| N | O | C1 | C | 177.9° | 180.0° |
| N2 | C10 | C11 | C12 | 179.8° | 180.0° |
| N2 | C10 | C11 | H12 | 0.2° | 0.0° |
| C10 | C11 | C12 | C5 | 0.0° | 0.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | C12 | H13 | 179.9° | 180.0° |
| C5 | C2 | C1 | O | 179.0° | 180.0° |
| C5 | C2 | C1 | C | 6.0° | 0.0° |
| C2 | C5 | C12 | C11 | 179.0° | 180.0° |
| C2 | C5 | C12 | H13 | 1.0° | 0.1° |
| C2 | C5 | C6 | H20 | 1.2° | 0.0° |
| C12 | C5 | C2 | C1 | 49.6° | 65.0° |
| C5 | C12 | C11 | H13 | 180.0° | 180.0° |
| C5 | C12 | C11 | H12 | 179.9° | 180.0° |
| C12 | C5 | C6 | H20 | 178.5° | 180.0° |
| C2 | C1 | O | C | 175.9° | 180.0° |
| C2 | C1 | C | H14 | 174.6° | 90.0° |
| C2 | C1 | C | H15 | 65.4° | 150.0° |
| C2 | C1 | C | H16 | 54.6° | 30.0° |
| O | C1 | C | H14 | 0.0° | 90.0° |
| O | C1 | C | H15 | 120.0° | 30.0° |
| O | C1 | C | H16 | 120.0° | 150.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H6 | C18 | H7 | H8 | 120.1° | 120.0° |
| H12 | C11 | C12 | H13 | 0.1° | 0.0° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
| H17 | C4 | H18 | H19 | 120.0° | 120.0° |
| H21 | C20 | C21 | H23 | 57.8° | 63.3° |
| H21 | C20 | C21 | H24 | 178.2° | 56.8° |
| H22 | C20 | C21 | H23 | 62.2° | 56.8° |
| H22 | C20 | C21 | H24 | 58.2° | 176.9° |
| H25 | C22 | C23 | H27 | 175.8° | 176.9° |
| H26 | C22 | C23 | H27 | 64.1° | 56.9° |
| H28 | C25 | C26 | H29 | 0.9° | 0.1° |
| H29 | C26 | C27 | H30 | 0.9° | 0.0° |
| H30 | C27 | C28 | H31 | 0.7° | 0.0° |
| H31 | C28 | C29 | H32 | 0.5° | 0.0° |
