4RL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | N6 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| N6 | C20 | sing | 1.35Å | 1.34Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | O6 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C7 | sing | 1.35Å | 1.35Å | |
| O3 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C1 | sing | 1.50Å | 1.39Å | |
| C4 | N1 | sing | 1.46Å | 1.48Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N2 | sing | 1.34Å | 1.35Å | |
| N1 | C2 | sing | 1.34Å | 1.40Å | |
| N2 | C3 | sing | 1.46Å | 1.48Å | |
| N2 | C11 | sing | 1.46Å | 1.48Å | |
| C2 | C3 | sing | 1.50Å | 1.38Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C6 | sing | 1.53Å | 1.53Å | |
| C11 | C15 | sing | 1.51Å | 1.39Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N3 | sing | 1.46Å | 1.47Å | |
| O7 | C18 | doub | 1.21Å | 1.25Å | |
| N3 | C9 | sing | 1.35Å | 1.34Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | N4 | sing | 1.47Å | 1.47Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O4 | doub | 1.21Å | 1.23Å | |
| C18 | O5 | sing | 1.34Å | 1.25Å | |
| C18 | C10 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| N5 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| N3 | H36 | sing | 0.97Å | 1.00Å | |
| N4 | H37 | sing | 1.01Å | 1.00Å | |
| N4 | H38 | sing | 1.01Å | 1.00Å | |
| O5 | H40 | sing | 0.97Å | 0.95Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C12 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C25 | C27 | 109.4° | 109.5° |
| C28 | C25 | N6 | 109.7° | 109.5° |
| C28 | C25 | C26 | 109.4° | 109.5° |
| C25 | C28 | H23 | 109.5° | 109.5° |
| C25 | C28 | H24 | 109.5° | 109.5° |
| C25 | C28 | H25 | 109.5° | 109.5° |
| C24 | C22 | C21 | 109.6° | 109.5° |
| C24 | C22 | H12 | 109.5° | 109.4° |
| C24 | C22 | H13 | 109.4° | 109.5° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.4° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| C27 | C25 | N6 | 109.3° | 109.5° |
| C27 | C25 | C26 | 109.5° | 109.5° |
| C25 | C27 | H20 | 109.5° | 109.5° |
| C25 | C27 | H21 | 109.5° | 109.5° |
| C25 | C27 | H22 | 109.5° | 109.5° |
| N6 | C25 | C26 | 109.4° | 109.4° |
| C25 | N6 | C20 | 117.0° | 120.0° |
| C25 | N6 | H29 | 121.5° | 120.0° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H27 | 109.4° | 109.5° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| N6 | C20 | O6 | 123.7° | 120.0° |
| N6 | C20 | C19 | 114.9° | 120.0° |
| C20 | N6 | H29 | 121.5° | 120.0° |
| C22 | C21 | C19 | 109.4° | 109.4° |
| C22 | C21 | C23 | 109.5° | 109.5° |
| C22 | C21 | H11 | 109.3° | 109.4° |
| C21 | C22 | H12 | 109.5° | 109.4° |
| C21 | C22 | H13 | 109.4° | 109.5° |
| O6 | C20 | C19 | 120.8° | 120.0° |
| C20 | C19 | C21 | 108.9° | 109.5° |
| C20 | C19 | N5 | 109.6° | 109.5° |
| C20 | C19 | H30 | 109.0° | 109.5° |
| C19 | C21 | C23 | 109.9° | 109.5° |
| C21 | C19 | N5 | 110.4° | 109.5° |
| C19 | C21 | H11 | 109.4° | 109.4° |
| C21 | C19 | H30 | 109.0° | 109.4° |
| C23 | C21 | H11 | 109.4° | 109.5° |
| C21 | C23 | H14 | 109.5° | 109.5° |
| C21 | C23 | H15 | 109.5° | 109.5° |
| C21 | C23 | H16 | 109.5° | 109.5° |
| C19 | N5 | C7 | 121.6° | 120.0° |
| C19 | N5 | H3 | 119.2° | 120.0° |
| N5 | C19 | H30 | 109.9° | 109.4° |
| N5 | C7 | O3 | 123.8° | 119.9° |
| N5 | C7 | C5 | 114.6° | 120.0° |
| C7 | N5 | H3 | 119.2° | 119.9° |
| O3 | C7 | C5 | 120.8° | 120.0° |
| C7 | C5 | C4 | 110.4° | 109.5° |
| C7 | C5 | H31 | 109.3° | 109.5° |
| C7 | C5 | H32 | 109.2° | 109.5° |
| C5 | C4 | C1 | 109.9° | 109.1° |
| C5 | C4 | N1 | 111.2° | 109.1° |
| C5 | C4 | H2 | 108.4° | 109.1° |
| C4 | C5 | H31 | 109.3° | 109.5° |
| C4 | C5 | H32 | 109.3° | 109.4° |
| C1 | C4 | N1 | 108.0° | 111.3° |
| C4 | C1 | O1 | 120.5° | 118.6° |
| C4 | C1 | N2 | 119.4° | 122.8° |
| C1 | C4 | H2 | 110.3° | 109.1° |
| C4 | N1 | C2 | 118.6° | 122.8° |
| N1 | C4 | H2 | 109.0° | 109.1° |
| C4 | N1 | H33 | 120.7° | 118.6° |
| O1 | C1 | N2 | 119.9° | 118.6° |
| C1 | N2 | C3 | 119.4° | 122.8° |
| C1 | N2 | C11 | 120.4° | 118.6° |
| N1 | C2 | C3 | 118.1° | 122.8° |
| N1 | C2 | O2 | 121.2° | 118.6° |
| C2 | N1 | H33 | 120.7° | 118.6° |
| C3 | N2 | C11 | 120.2° | 118.6° |
| N2 | C3 | C2 | 107.6° | 111.3° |
| N2 | C3 | C6 | 112.9° | 109.1° |
| N2 | C3 | H1 | 108.8° | 109.0° |
| N2 | C11 | C15 | 110.4° | 109.5° |
| N2 | C11 | H41 | 109.2° | 109.4° |
| N2 | C11 | H42 | 109.3° | 109.5° |
| C3 | C2 | O2 | 120.7° | 118.6° |
| C2 | C3 | C6 | 109.2° | 109.1° |
| C2 | C3 | H1 | 110.2° | 109.2° |
| C3 | C6 | N3 | 108.7° | 109.5° |
| C6 | C3 | H1 | 108.2° | 109.1° |
| C3 | C6 | H34 | 109.7° | 109.5° |
| C3 | C6 | H35 | 109.7° | 109.4° |
| C11 | C15 | C14 | 120.0° | 120.0° |
| C11 | C15 | C16 | 120.0° | 120.0° |
| C15 | C11 | H41 | 109.3° | 109.5° |
| C15 | C11 | H42 | 109.2° | 109.5° |
| C14 | C15 | C16 | 120.0° | 119.9° |
| C15 | C14 | C13 | 120.1° | 120.1° |
| C15 | C14 | H8 | 120.0° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H9 | 120.0° | 120.0° |
| C6 | N3 | C9 | 121.9° | 120.0° |
| N3 | C6 | H34 | 109.7° | 109.5° |
| N3 | C6 | H35 | 109.7° | 109.5° |
| C6 | N3 | H36 | 119.0° | 120.0° |
| O7 | C18 | O5 | 125.6° | 120.0° |
| O7 | C18 | C10 | 116.8° | 120.0° |
| N3 | C9 | C8 | 115.1° | 120.0° |
| N3 | C9 | O4 | 123.9° | 120.0° |
| C9 | N3 | H36 | 119.1° | 120.0° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C14 | C13 | H7 | 120.0° | 120.0° |
| C13 | C14 | H8 | 120.0° | 120.0° |
| C16 | C17 | C12 | 120.1° | 120.0° |
| C17 | C16 | H9 | 120.1° | 120.0° |
| C16 | C17 | H10 | 119.9° | 120.0° |
| C9 | C8 | N4 | 109.2° | 109.5° |
| C9 | C8 | C10 | 109.8° | 109.5° |
| C8 | C9 | O4 | 121.0° | 120.0° |
| C9 | C8 | H4 | 108.7° | 109.5° |
| N4 | C8 | C10 | 110.8° | 109.5° |
| N4 | C8 | H4 | 109.6° | 109.5° |
| C8 | N4 | H37 | 109.5° | 111.0° |
| C8 | N4 | H38 | 109.4° | 111.0° |
| C8 | C10 | C18 | 110.1° | 109.5° |
| C10 | C8 | H4 | 108.7° | 109.4° |
| C8 | C10 | H5 | 109.3° | 109.5° |
| C8 | C10 | H6 | 109.3° | 109.5° |
| O5 | C18 | C10 | 117.2° | 120.0° |
| C18 | O5 | H40 | 109.5° | 117.0° |
| C18 | C10 | H5 | 109.3° | 109.4° |
| C18 | C10 | H6 | 109.3° | 109.5° |
| C13 | C12 | C17 | 119.9° | 120.0° |
| C12 | C13 | H7 | 120.0° | 120.0° |
| C13 | C12 | H43 | 120.1° | 120.0° |
| C12 | C17 | H10 | 119.9° | 120.0° |
| C17 | C12 | H43 | 120.0° | 120.0° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H14 | C23 | H16 | 109.4° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H20 | C27 | H21 | 109.4° | 109.5° |
| H20 | C27 | H22 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.5° | 109.4° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H25 | 109.4° | 109.4° |
| H24 | C28 | H25 | 109.4° | 109.4° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H26 | C26 | H28 | 109.5° | 109.4° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H31 | C5 | H32 | 109.4° | 109.5° |
| H34 | C6 | H35 | 109.5° | 109.5° |
| H37 | N4 | H38 | 109.5° | 111.0° |
| H41 | C11 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C25 | C27 | N6 | 120.2° | 120.1° |
| C28 | C25 | C27 | C26 | 119.9° | 120.0° |
| C28 | C25 | N6 | C26 | 120.0° | 120.0° |
| C28 | C25 | N6 | C20 | 142.3° | 60.0° |
| C28 | C25 | C27 | H20 | 180.0° | 60.0° |
| C28 | C25 | C27 | H21 | 60.0° | 180.0° |
| C28 | C25 | C27 | H22 | 60.0° | 60.0° |
| C25 | C28 | H23 | H24 | 120.0° | 120.1° |
| C25 | C28 | H23 | H25 | 120.0° | 120.0° |
| C25 | C28 | H24 | H25 | 120.0° | 120.0° |
| C28 | C25 | C26 | H26 | 180.0° | 180.0° |
| C28 | C25 | C26 | H27 | 60.0° | 60.0° |
| C28 | C25 | C26 | H28 | 60.0° | 60.0° |
| C28 | C25 | N6 | H29 | 37.7° | 119.9° |
| C24 | C22 | C21 | H12 | 120.0° | 119.9° |
| C24 | C22 | C21 | H13 | 120.0° | 120.0° |
| C24 | C22 | C21 | C19 | 79.7° | 175.0° |
| C24 | C22 | C21 | C23 | 159.8° | 65.0° |
| C24 | C22 | C21 | H11 | 40.0° | 55.1° |
| C24 | C22 | H12 | H13 | 119.9° | 120.0° |
| C22 | C24 | H17 | H18 | 120.0° | 119.9° |
| C22 | C24 | H17 | H19 | 120.0° | 120.0° |
| C22 | C24 | H18 | H19 | 120.0° | 120.0° |
| C27 | C25 | N6 | C26 | 120.0° | 120.0° |
| C27 | C25 | N6 | C20 | 22.3° | 60.1° |
| C25 | C27 | H20 | H21 | 120.0° | 120.1° |
| C25 | C27 | H20 | H22 | 120.0° | 120.0° |
| C25 | C27 | H21 | H22 | 120.0° | 120.0° |
| C27 | C25 | C28 | H23 | 180.0° | 60.0° |
| C27 | C25 | C28 | H24 | 60.0° | 180.0° |
| C27 | C25 | C28 | H25 | 60.0° | 60.0° |
| C27 | C25 | C26 | H26 | 60.1° | 60.0° |
| C27 | C25 | C26 | H27 | 180.0° | 180.0° |
| C27 | C25 | C26 | H28 | 60.0° | 60.0° |
| C27 | C25 | N6 | H29 | 157.7° | 120.1° |
| C25 | N6 | C20 | H29 | 180.0° | 179.9° |
| C25 | N6 | C20 | O6 | 7.7° | 0.1° |
| C25 | N6 | C20 | C19 | 178.9° | 180.0° |
| N6 | C25 | C27 | H20 | 59.8° | 60.1° |
| N6 | C25 | C27 | H21 | 179.8° | 60.0° |
| N6 | C25 | C27 | H22 | 60.2° | 180.0° |
| N6 | C25 | C28 | H23 | 60.1° | 180.0° |
| N6 | C25 | C28 | H24 | 60.0° | 59.9° |
| N6 | C25 | C28 | H25 | 180.0° | 60.0° |
| N6 | C25 | C26 | H26 | 59.8° | 60.0° |
| N6 | C25 | C26 | H27 | 60.2° | 60.0° |
| N6 | C25 | C26 | H28 | 179.8° | 180.0° |
| C26 | C25 | N6 | C20 | 97.7° | 180.0° |
| C26 | C25 | C27 | H20 | 60.1° | 180.0° |
| C26 | C25 | C27 | H21 | 59.9° | 60.0° |
| C26 | C25 | C27 | H22 | 179.9° | 60.0° |
| C26 | C25 | C28 | H23 | 60.0° | 60.1° |
| C26 | C25 | C28 | H24 | 180.0° | 60.0° |
| C26 | C25 | C28 | H25 | 60.0° | 180.0° |
| C25 | C26 | H26 | H27 | 120.0° | 120.0° |
| C25 | C26 | H26 | H28 | 120.0° | 120.0° |
| C25 | C26 | H27 | H28 | 120.0° | 120.0° |
| C26 | C25 | N6 | H29 | 82.3° | 0.1° |
| N6 | C20 | O6 | C19 | 170.7° | 179.9° |
| N6 | C20 | C19 | C21 | 128.6° | 60.0° |
| N6 | C20 | C19 | N5 | 110.6° | 179.9° |
| N6 | C20 | C19 | H30 | 9.7° | 59.9° |
| C22 | C21 | C19 | C20 | 2.7° | 59.9° |
| C22 | C21 | C19 | C23 | 120.2° | 120.0° |
| C22 | C21 | C19 | H11 | 119.7° | 119.9° |
| C22 | C21 | C23 | H11 | 119.8° | 120.0° |
| C22 | C21 | C19 | N5 | 117.7° | 60.1° |
| C21 | C22 | H12 | H13 | 119.9° | 120.0° |
| C22 | C21 | C23 | H14 | 180.0° | 60.0° |
| C22 | C21 | C23 | H15 | 60.0° | 180.0° |
| C22 | C21 | C23 | H16 | 60.0° | 60.0° |
| C21 | C22 | C24 | H17 | 180.0° | 60.0° |
| C21 | C22 | C24 | H18 | 60.0° | 59.9° |
| C21 | C22 | C24 | H19 | 60.0° | 179.9° |
| C22 | C21 | C19 | H30 | 121.6° | 180.0° |
| O6 | C20 | C19 | C21 | 42.9° | 120.0° |
| O6 | C20 | C19 | N5 | 77.9° | 0.0° |
| O6 | C20 | N6 | H29 | 172.3° | 179.9° |
| O6 | C20 | C19 | H30 | 161.8° | 120.0° |
| C20 | C19 | C21 | N5 | 120.4° | 120.0° |
| C20 | C19 | C21 | H30 | 118.9° | 120.1° |
| C20 | C19 | C21 | C23 | 122.9° | 180.0° |
| C20 | C19 | N5 | H30 | 119.8° | 120.1° |
| C20 | C19 | N5 | C7 | 155.9° | 155.0° |
| C20 | C19 | N5 | H3 | 24.1° | 25.0° |
| C20 | C19 | C21 | H11 | 117.0° | 60.0° |
| C19 | C20 | N6 | H29 | 1.1° | 0.1° |
| C19 | C21 | C23 | H11 | 120.1° | 120.0° |
| C21 | C19 | N5 | H30 | 120.3° | 119.9° |
| C21 | C19 | N5 | C7 | 84.2° | 84.9° |
| C21 | C19 | N5 | H3 | 95.8° | 95.0° |
| C19 | C21 | C22 | H12 | 40.4° | 65.1° |
| C19 | C21 | C22 | H13 | 160.3° | 54.9° |
| C19 | C21 | C23 | H14 | 59.9° | 180.0° |
| C19 | C21 | C23 | H15 | 60.2° | 60.0° |
| C19 | C21 | C23 | H16 | 179.8° | 60.0° |
| C23 | C21 | C19 | N5 | 2.6° | 60.0° |
| C23 | C21 | C22 | H12 | 80.1° | 54.9° |
| C23 | C21 | C22 | H13 | 39.8° | 175.0° |
| C21 | C23 | H14 | H15 | 120.0° | 120.1° |
| C21 | C23 | H14 | H16 | 120.0° | 120.0° |
| C21 | C23 | H15 | H16 | 120.0° | 120.1° |
| C23 | C21 | C19 | H30 | 118.2° | 60.0° |
| C19 | N5 | C7 | H3 | 180.0° | 179.9° |
| C19 | N5 | C7 | O3 | 1.9° | 0.0° |
| C19 | N5 | C7 | C5 | 168.0° | 180.0° |
| N5 | C19 | C21 | H11 | 122.6° | 180.0° |
| N5 | C7 | O3 | C5 | 169.3° | 180.0° |
| N5 | C7 | C5 | C4 | 127.3° | 180.0° |
| C7 | N5 | C19 | H30 | 36.1° | 35.0° |
| N5 | C7 | C5 | H31 | 112.6° | 60.0° |
| N5 | C7 | C5 | H32 | 7.1° | 60.0° |
| O3 | C7 | C5 | C4 | 62.5° | 0.0° |
| O3 | C7 | N5 | H3 | 178.1° | 180.0° |
| O3 | C7 | C5 | H31 | 57.7° | 120.0° |
| O3 | C7 | C5 | H32 | 177.4° | 120.0° |
| C7 | C5 | C4 | H31 | 120.2° | 120.0° |
| C7 | C5 | C4 | H32 | 120.1° | 120.0° |
| C7 | C5 | C4 | C1 | 114.9° | 175.0° |
| C7 | C5 | C4 | N1 | 125.6° | 63.2° |
| C7 | C5 | C4 | H2 | 5.7° | 55.9° |
| C5 | C7 | N5 | H3 | 12.0° | 0.1° |
| C7 | C5 | H31 | H32 | 119.6° | 120.0° |
| C5 | C4 | C1 | N1 | 121.4° | 120.4° |
| C5 | C4 | C1 | H2 | 119.5° | 119.2° |
| C5 | C4 | N1 | H2 | 119.5° | 119.1° |
| C5 | C4 | C1 | O1 | 17.9° | 79.0° |
| C5 | C4 | C1 | N2 | 157.1° | 100.7° |
| C5 | C4 | N1 | C2 | 162.7° | 101.0° |
| C4 | C5 | H31 | H32 | 119.6° | 120.0° |
| C5 | C4 | N1 | H33 | 17.3° | 79.0° |
| C1 | C4 | N1 | H2 | 119.9° | 120.4° |
| C4 | C1 | O1 | N2 | 174.9° | 179.7° |
| C1 | C4 | N1 | C2 | 42.1° | 19.5° |
| C4 | C1 | N2 | C3 | 7.0° | 0.0° |
| C4 | C1 | N2 | C11 | 176.0° | 179.9° |
| C1 | C4 | C5 | H31 | 5.2° | 64.9° |
| C1 | C4 | C5 | H32 | 124.9° | 55.1° |
| C1 | C4 | N1 | H33 | 137.9° | 160.5° |
| N1 | C4 | C1 | O1 | 139.3° | 160.6° |
| N1 | C4 | C1 | N2 | 35.6° | 19.7° |
| C4 | N1 | C2 | H33 | 180.0° | 180.0° |
| C4 | N1 | C2 | C3 | 3.2° | 0.1° |
| C4 | N1 | C2 | O2 | 179.9° | 179.9° |
| N1 | C4 | C5 | H31 | 114.2° | 56.8° |
| N1 | C4 | C5 | H32 | 5.5° | 176.8° |
| O1 | C1 | N2 | C3 | 178.0° | 179.7° |
| O1 | C1 | N2 | C11 | 1.0° | 0.4° |
| O1 | C1 | C4 | H2 | 101.6° | 40.2° |
| C1 | N2 | C3 | C11 | 177.0° | 179.9° |
| C1 | N2 | C3 | C2 | 46.3° | 19.4° |
| C1 | N2 | C3 | C6 | 166.8° | 101.1° |
| C1 | N2 | C11 | C15 | 106.9° | 82.0° |
| C1 | N2 | C3 | H1 | 73.1° | 139.9° |
| N2 | C1 | C4 | H2 | 83.4° | 140.1° |
| C1 | N2 | C11 | H41 | 132.9° | 158.0° |
| C1 | N2 | C11 | H42 | 13.2° | 38.1° |
| N1 | C2 | C3 | N2 | 38.7° | 19.6° |
| N1 | C2 | C3 | O2 | 176.7° | 179.9° |
| N1 | C2 | C3 | C6 | 161.6° | 100.8° |
| N1 | C2 | C3 | H1 | 79.7° | 140.0° |
| C2 | N1 | C4 | H2 | 77.8° | 139.9° |
| N2 | C3 | C2 | C6 | 122.9° | 120.4° |
| N2 | C3 | C2 | H1 | 118.4° | 120.4° |
| N2 | C3 | C2 | O2 | 138.0° | 160.3° |
| N2 | C3 | C6 | H1 | 120.4° | 119.0° |
| C3 | N2 | C11 | C15 | 76.1° | 98.0° |
| N2 | C3 | C6 | N3 | 155.1° | 78.1° |
| N2 | C3 | C6 | H34 | 35.2° | 42.0° |
| N2 | C3 | C6 | H35 | 85.1° | 161.9° |
| C3 | N2 | C11 | H41 | 44.1° | 22.1° |
| C3 | N2 | C11 | H42 | 163.8° | 142.0° |
| C11 | N2 | C3 | C2 | 136.7° | 160.5° |
| C11 | N2 | C3 | C6 | 16.2° | 79.0° |
| N2 | C11 | C15 | H41 | 120.1° | 120.0° |
| N2 | C11 | C15 | H42 | 120.2° | 120.0° |
| N2 | C11 | C15 | C14 | 155.0° | 89.0° |
| N2 | C11 | C15 | C16 | 24.9° | 91.1° |
| C11 | N2 | C3 | H1 | 103.9° | 40.1° |
| N2 | C11 | H41 | H42 | 119.6° | 120.0° |
| C2 | C3 | C6 | H1 | 120.0° | 119.2° |
| C2 | C3 | C6 | N3 | 85.3° | 160.1° |
| C3 | C2 | N1 | H33 | 176.9° | 179.9° |
| C2 | C3 | C6 | H34 | 154.8° | 79.8° |
| C2 | C3 | C6 | H35 | 34.5° | 40.1° |
| O2 | C2 | C3 | C6 | 15.2° | 79.3° |
| O2 | C2 | C3 | H1 | 103.5° | 39.9° |
| O2 | C2 | N1 | H33 | 0.1° | 0.0° |
| C3 | C6 | N3 | H34 | 119.9° | 120.0° |
| C3 | C6 | N3 | H35 | 119.9° | 120.0° |
| C3 | C6 | N3 | C9 | 84.1° | 173.8° |
| C3 | C6 | H34 | H35 | 120.4° | 119.9° |
| C3 | C6 | N3 | H36 | 95.9° | 6.4° |
| C11 | C15 | C14 | C16 | 179.9° | 179.9° |
| C11 | C15 | C14 | C13 | 179.5° | 180.0° |
| C11 | C15 | C16 | C17 | 179.7° | 180.0° |
| C11 | C15 | C14 | H8 | 0.5° | 0.1° |
| C11 | C15 | C16 | H9 | 0.3° | 0.0° |
| C15 | C11 | H41 | H42 | 119.6° | 120.0° |
| C15 | C14 | C13 | H8 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C13 | C12 | 0.8° | 0.1° |
| C15 | C14 | C13 | H7 | 179.2° | 179.7° |
| C14 | C15 | C16 | H9 | 179.8° | 179.9° |
| C14 | C15 | C11 | H41 | 84.9° | 151.0° |
| C14 | C15 | C11 | H42 | 34.8° | 31.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.1° |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.4° | 0.0° |
| C16 | C15 | C14 | H8 | 179.6° | 180.0° |
| C15 | C16 | C17 | H10 | 179.6° | 180.0° |
| C16 | C15 | C11 | H41 | 95.2° | 28.9° |
| C16 | C15 | C11 | H42 | 145.1° | 148.9° |
| C6 | N3 | C9 | H36 | 180.0° | 179.9° |
| C6 | N3 | C9 | C8 | 168.0° | 176.0° |
| C6 | N3 | C9 | O4 | 11.1° | 3.9° |
| N3 | C6 | C3 | H1 | 34.6° | 41.0° |
| N3 | C6 | H34 | H35 | 120.4° | 120.0° |
| O7 | C18 | C10 | C8 | 99.7° | 0.1° |
| O7 | C18 | O5 | C10 | 172.4° | 179.9° |
| O7 | C18 | C10 | H5 | 140.2° | 120.0° |
| O7 | C18 | C10 | H6 | 20.4° | 119.9° |
| O7 | C18 | O5 | H40 | 0.0° | 0.0° |
| N3 | C9 | C8 | O4 | 179.1° | 179.9° |
| N3 | C9 | C8 | N4 | 36.6° | 151.3° |
| N3 | C9 | C8 | C10 | 158.2° | 88.7° |
| N3 | C9 | C8 | H4 | 82.9° | 31.3° |
| C9 | N3 | C6 | H34 | 156.0° | 53.7° |
| C9 | N3 | C6 | H35 | 35.7° | 66.3° |
| C14 | C13 | C12 | H7 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 1.0° | 0.1° |
| C14 | C13 | C12 | H43 | 179.0° | 179.8° |
| C16 | C17 | C12 | C13 | 0.8° | 0.0° |
| C16 | C17 | C12 | H10 | 180.0° | 180.0° |
| C16 | C17 | C12 | H43 | 179.2° | 179.7° |
| C9 | C8 | N4 | C10 | 121.0° | 120.0° |
| C9 | C8 | N4 | H4 | 119.0° | 120.1° |
| C9 | C8 | C10 | H4 | 118.8° | 120.0° |
| C9 | C8 | C10 | C18 | 146.4° | 175.0° |
| C9 | C8 | C10 | H5 | 93.5° | 65.0° |
| C9 | C8 | C10 | H6 | 26.3° | 55.0° |
| C8 | C9 | N3 | H36 | 12.0° | 4.1° |
| C9 | C8 | N4 | H37 | 180.0° | 60.0° |
| C9 | C8 | N4 | H38 | 60.0° | 176.1° |
| N4 | C8 | C10 | H4 | 120.5° | 120.0° |
| N4 | C8 | C9 | O4 | 144.3° | 28.6° |
| N4 | C8 | C10 | C18 | 92.9° | 64.9° |
| N4 | C8 | C10 | H5 | 27.1° | 55.0° |
| N4 | C8 | C10 | H6 | 147.0° | 175.0° |
| C8 | N4 | H37 | H38 | 120.0° | 124.0° |
| C10 | C8 | C9 | O4 | 22.6° | 91.4° |
| C8 | C10 | C18 | O5 | 87.2° | 180.0° |
| C8 | C10 | C18 | H5 | 120.1° | 120.0° |
| C8 | C10 | C18 | H6 | 120.1° | 120.0° |
| C8 | C10 | H5 | H6 | 119.7° | 120.0° |
| C10 | C8 | N4 | H37 | 58.9° | 60.0° |
| C10 | C8 | N4 | H38 | 179.0° | 64.0° |
| O4 | C9 | C8 | H4 | 96.2° | 148.6° |
| O4 | C9 | N3 | H36 | 168.9° | 176.0° |
| O5 | C18 | C10 | H5 | 32.9° | 60.0° |
| O5 | C18 | C10 | H6 | 152.7° | 60.0° |
| C18 | C10 | C8 | H4 | 27.6° | 55.0° |
| C18 | C10 | H5 | H6 | 119.7° | 120.0° |
| C10 | C18 | O5 | H40 | 172.4° | 180.0° |
| C13 | C12 | C17 | H43 | 180.0° | 179.7° |
| C12 | C13 | C14 | H8 | 179.2° | 180.0° |
| C13 | C12 | C17 | H10 | 179.2° | 180.0° |
| C17 | C12 | C13 | H7 | 179.0° | 179.8° |
| C12 | C17 | C16 | H9 | 179.6° | 180.0° |
| H1 | C3 | C6 | H34 | 85.2° | 161.0° |
| H1 | C3 | C6 | H35 | 154.5° | 79.1° |
| H2 | C4 | C5 | H31 | 125.9° | 175.9° |
| H2 | C4 | C5 | H32 | 114.4° | 64.1° |
| H2 | C4 | N1 | H33 | 102.2° | 40.1° |
| H3 | N5 | C19 | H30 | 143.9° | 145.1° |
| H4 | C8 | C10 | H5 | 147.6° | 175.0° |
| H4 | C8 | C10 | H6 | 92.5° | 65.0° |
| H4 | C8 | N4 | H37 | 61.1° | 180.0° |
| H4 | C8 | N4 | H38 | 59.0° | 56.0° |
| H7 | C13 | C14 | H8 | 0.8° | 0.2° |
| H7 | C13 | C12 | H43 | 1.0° | 0.1° |
| H9 | C16 | C17 | H10 | 0.4° | 0.0° |
| H10 | C17 | C12 | H43 | 0.8° | 0.3° |
| H11 | C21 | C22 | H12 | 160.1° | 175.0° |
| H11 | C21 | C22 | H13 | 80.0° | 64.9° |
| H11 | C21 | C23 | H14 | 60.2° | 60.0° |
| H11 | C21 | C23 | H15 | 179.8° | 60.0° |
| H11 | C21 | C23 | H16 | 59.8° | 180.0° |
| H11 | C21 | C19 | H30 | 1.9° | 60.1° |
| H12 | C22 | C24 | H17 | 60.0° | 180.0° |
| H12 | C22 | C24 | H18 | 60.0° | 60.0° |
| H12 | C22 | C24 | H19 | 180.0° | 60.0° |
| H13 | C22 | C24 | H17 | 60.0° | 60.0° |
| H13 | C22 | C24 | H18 | 180.0° | 180.0° |
| H13 | C22 | C24 | H19 | 60.0° | 60.0° |
| H14 | C23 | H15 | H16 | 120.0° | 119.9° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
| H20 | C27 | H21 | H22 | 120.0° | 120.0° |
| H23 | C28 | H24 | H25 | 119.9° | 120.0° |
| H26 | C26 | H27 | H28 | 120.0° | 120.0° |
| H34 | C6 | N3 | H36 | 24.0° | 126.4° |
| H35 | C6 | N3 | H36 | 144.3° | 113.6° |
