0UU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C6 | sing | 1.51Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C27 | sing | 1.51Å | 1.53Å | |
| C12 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | C17 | sing | 1.53Å | 1.53Å | |
| C4 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | N2 | sing | 1.38Å | 1.34Å | Aromatic |
| C3 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| N2 | C19 | sing | 1.36Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| O3 | C27 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.36Å | 1.34Å | Aromatic |
| C27 | O2 | sing | 1.34Å | 1.37Å | |
| C19 | N1 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | N4 | sing | 1.38Å | 1.34Å | |
| N4 | C20 | sing | 1.35Å | 1.34Å | |
| O2 | C28 | sing | 1.45Å | 1.45Å | |
| C20 | O1 | doub | 1.22Å | 1.23Å | |
| C20 | C21 | sing | 1.48Å | 1.54Å | |
| C22 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C2 | H29 | sing | 1.08Å | 1.08Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 112.8° | 109.2° |
| C9 | C8 | C7 | 111.6° | 109.3° |
| C9 | C8 | H20 | 108.9° | 109.5° |
| C9 | C8 | H21 | 109.0° | 109.5° |
| C8 | C9 | H22 | 108.6° | 109.5° |
| C8 | C9 | H23 | 108.6° | 109.5° |
| C9 | C10 | C11 | 111.7° | 109.3° |
| C10 | C9 | H22 | 108.6° | 109.5° |
| C10 | C9 | H23 | 108.6° | 109.5° |
| C9 | C10 | H24 | 108.9° | 109.5° |
| C9 | C10 | H25 | 108.9° | 109.5° |
| C8 | C7 | N3 | 108.3° | 109.5° |
| C8 | C7 | H18 | 109.7° | 109.5° |
| C8 | C7 | H19 | 109.8° | 109.5° |
| C7 | C8 | H20 | 109.0° | 109.5° |
| C7 | C8 | H21 | 108.9° | 109.5° |
| C10 | C11 | N3 | 109.5° | 109.6° |
| C11 | C10 | H24 | 108.9° | 109.5° |
| C11 | C10 | H25 | 108.9° | 109.5° |
| C10 | C11 | H26 | 109.5° | 109.5° |
| C10 | C11 | H27 | 109.5° | 109.5° |
| C7 | N3 | C11 | 107.3° | 111.2° |
| C7 | N3 | C18 | 112.1° | 111.0° |
| N3 | C7 | H18 | 109.8° | 109.4° |
| N3 | C7 | H19 | 109.7° | 109.5° |
| C11 | N3 | C18 | 108.1° | 111.0° |
| N3 | C11 | H26 | 109.5° | 109.5° |
| N3 | C11 | H27 | 109.5° | 109.4° |
| N3 | C18 | C6 | 112.5° | 109.5° |
| N3 | C18 | H15 | 108.7° | 109.4° |
| N3 | C18 | H16 | 108.7° | 109.5° |
| C18 | C6 | C5 | 120.1° | 119.7° |
| C18 | C6 | C4 | 120.2° | 119.8° |
| C6 | C18 | H15 | 108.7° | 109.4° |
| C6 | C18 | H16 | 108.7° | 109.5° |
| C13 | C14 | C15 | 112.8° | 109.5° |
| C14 | C13 | C12 | 109.7° | 109.4° |
| C13 | C14 | H9 | 108.6° | 109.4° |
| C13 | C14 | H10 | 108.6° | 109.4° |
| C14 | C13 | H11 | 109.4° | 109.4° |
| C14 | C13 | H12 | 109.4° | 109.5° |
| C14 | C15 | C16 | 110.1° | 109.5° |
| C14 | C15 | C27 | 110.8° | 109.4° |
| C14 | C15 | H4 | 109.1° | 109.5° |
| C15 | C14 | H9 | 108.6° | 109.5° |
| C15 | C14 | H10 | 108.6° | 109.5° |
| C5 | C6 | C4 | 119.7° | 120.4° |
| C6 | C5 | C3 | 119.5° | 119.8° |
| C6 | C5 | H14 | 120.3° | 120.1° |
| C6 | C4 | C2 | 120.7° | 120.5° |
| C6 | C4 | H28 | 119.6° | 119.8° |
| C5 | C3 | N2 | 133.1° | 133.9° |
| C5 | C3 | C1 | 120.6° | 119.9° |
| C3 | C5 | H14 | 120.2° | 120.1° |
| C13 | C12 | N2 | 115.3° | 109.5° |
| C13 | C12 | C17 | 108.1° | 109.5° |
| C12 | C13 | H11 | 109.4° | 109.5° |
| C12 | C13 | H12 | 109.4° | 109.5° |
| C13 | C12 | H13 | 108.5° | 109.4° |
| C16 | C15 | C27 | 108.7° | 109.5° |
| C15 | C16 | C17 | 112.7° | 109.5° |
| C16 | C15 | H4 | 109.1° | 109.5° |
| C15 | C16 | H5 | 108.7° | 109.5° |
| C15 | C16 | H6 | 108.7° | 109.5° |
| C15 | C27 | O3 | 120.0° | 120.0° |
| C15 | C27 | O2 | 118.8° | 120.0° |
| C27 | C15 | H4 | 109.1° | 109.4° |
| N2 | C12 | C17 | 107.1° | 109.5° |
| C12 | N2 | C3 | 122.6° | 126.3° |
| C12 | N2 | C19 | 128.8° | 126.4° |
| N2 | C12 | H13 | 109.2° | 109.5° |
| C12 | C17 | C16 | 110.8° | 109.4° |
| C12 | C17 | H7 | 109.1° | 109.5° |
| C12 | C17 | H8 | 109.1° | 109.5° |
| C17 | C12 | H13 | 108.4° | 109.5° |
| C4 | C2 | C1 | 119.6° | 119.8° |
| C2 | C4 | H28 | 119.7° | 119.7° |
| C4 | C2 | H29 | 120.2° | 120.1° |
| N2 | C3 | C1 | 106.2° | 106.1° |
| C3 | N2 | C19 | 108.6° | 107.3° |
| C3 | C1 | C2 | 119.9° | 119.5° |
| C3 | C1 | N1 | 108.3° | 107.1° |
| N2 | C19 | N1 | 109.8° | 109.9° |
| N2 | C19 | N4 | 125.9° | 125.1° |
| C17 | C16 | H5 | 108.7° | 109.4° |
| C17 | C16 | H6 | 108.7° | 109.5° |
| C16 | C17 | H7 | 109.1° | 109.4° |
| C16 | C17 | H8 | 109.1° | 109.4° |
| O3 | C27 | O2 | 121.2° | 120.0° |
| C2 | C1 | N1 | 131.9° | 133.4° |
| C1 | C2 | H29 | 120.2° | 120.1° |
| C1 | N1 | C19 | 107.1° | 109.6° |
| C27 | O2 | C28 | 115.0° | 117.0° |
| N1 | C19 | N4 | 124.2° | 125.0° |
| C19 | N4 | C20 | 122.1° | 120.1° |
| C19 | N4 | H30 | 119.0° | 119.9° |
| N4 | C20 | O1 | 126.3° | 120.0° |
| N4 | C20 | C21 | 114.5° | 120.0° |
| C20 | N4 | H30 | 119.0° | 120.0° |
| O2 | C28 | H1 | 109.5° | 109.4° |
| O2 | C28 | H2 | 109.5° | 109.4° |
| O2 | C28 | H3 | 109.5° | 109.5° |
| O1 | C20 | C21 | 119.1° | 120.0° |
| C20 | C21 | C22 | 121.3° | 120.2° |
| C20 | C21 | C26 | 118.7° | 120.2° |
| C21 | C22 | C23 | 121.0° | 119.9° |
| C22 | C21 | C26 | 119.9° | 119.7° |
| C21 | C22 | H31 | 119.5° | 120.1° |
| C22 | C23 | C24 | 118.3° | 120.1° |
| C23 | C22 | H31 | 119.5° | 120.0° |
| C22 | C23 | H32 | 120.8° | 119.9° |
| C21 | C26 | C25 | 119.2° | 119.9° |
| C21 | C26 | H35 | 120.4° | 120.1° |
| C23 | C24 | C25 | 120.2° | 120.3° |
| C24 | C23 | H32 | 120.8° | 119.9° |
| C23 | C24 | H33 | 119.9° | 119.8° |
| C26 | C25 | C24 | 121.3° | 120.1° |
| C26 | C25 | H34 | 119.3° | 119.9° |
| C25 | C26 | H35 | 120.4° | 120.0° |
| C25 | C24 | H33 | 119.9° | 119.9° |
| C24 | C25 | H34 | 119.3° | 119.9° |
| H1 | C28 | H2 | 109.5° | 109.5° |
| H1 | C28 | H3 | 109.5° | 109.5° |
| H2 | C28 | H3 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H18 | C7 | H19 | 109.5° | 109.5° |
| H20 | C8 | H21 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.6° |
| H24 | C10 | H25 | 109.5° | 109.6° |
| H26 | C11 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H22 | 120.5° | 119.9° |
| C8 | C9 | C10 | H23 | 120.5° | 119.9° |
| C9 | C8 | C7 | H20 | 120.3° | 119.9° |
| C9 | C8 | C7 | H21 | 120.3° | 120.0° |
| C8 | C9 | C10 | C11 | 43.7° | 57.6° |
| C9 | C8 | C7 | N3 | 57.8° | 59.2° |
| C9 | C8 | C7 | H18 | 177.6° | 60.8° |
| C9 | C8 | C7 | H19 | 62.0° | 179.2° |
| C9 | C8 | H20 | H21 | 119.1° | 120.1° |
| C8 | C9 | H22 | H23 | 118.5° | 120.2° |
| C8 | C9 | C10 | H24 | 164.0° | 177.6° |
| C8 | C9 | C10 | H25 | 76.6° | 62.3° |
| C10 | C9 | C8 | C7 | 45.0° | 57.7° |
| C9 | C10 | C11 | H24 | 120.4° | 119.9° |
| C9 | C10 | C11 | H25 | 120.3° | 119.9° |
| C9 | C10 | C11 | N3 | 55.2° | 59.2° |
| C10 | C9 | C8 | H20 | 75.3° | 177.6° |
| C10 | C9 | C8 | H21 | 165.3° | 62.3° |
| C10 | C9 | H22 | H23 | 118.5° | 120.2° |
| C9 | C10 | H24 | H25 | 119.0° | 120.1° |
| C9 | C10 | C11 | H26 | 64.8° | 179.2° |
| C9 | C10 | C11 | H27 | 175.2° | 60.9° |
| C8 | C7 | N3 | H18 | 119.8° | 120.0° |
| C8 | C7 | N3 | H19 | 119.8° | 120.0° |
| C8 | C7 | N3 | C11 | 69.5° | 61.7° |
| C8 | C7 | N3 | C18 | 172.0° | 174.1° |
| C8 | C7 | H18 | H19 | 120.5° | 120.0° |
| C7 | C8 | H20 | H21 | 119.0° | 120.1° |
| C7 | C8 | C9 | H22 | 75.5° | 62.2° |
| C7 | C8 | C9 | H23 | 165.5° | 177.6° |
| C10 | C11 | N3 | C7 | 68.6° | 61.7° |
| C10 | C11 | N3 | H26 | 120.0° | 120.1° |
| C10 | C11 | N3 | H27 | 120.0° | 120.1° |
| C10 | C11 | N3 | C18 | 170.3° | 174.1° |
| C11 | C10 | C9 | H22 | 76.8° | 62.3° |
| C11 | C10 | C9 | H23 | 164.2° | 177.5° |
| C11 | C10 | H24 | H25 | 119.0° | 120.1° |
| C10 | C11 | H26 | H27 | 120.0° | 120.0° |
| C7 | N3 | C11 | C18 | 121.1° | 124.2° |
| C7 | N3 | C18 | C6 | 62.3° | 170.0° |
| C7 | N3 | C18 | H15 | 58.2° | 70.0° |
| C7 | N3 | C18 | H16 | 177.3° | 49.9° |
| N3 | C7 | H18 | H19 | 120.5° | 120.0° |
| N3 | C7 | C8 | H20 | 62.5° | 179.1° |
| N3 | C7 | C8 | H21 | 178.1° | 60.9° |
| C7 | N3 | C11 | H26 | 51.4° | 178.2° |
| C7 | N3 | C11 | H27 | 171.4° | 58.3° |
| C11 | N3 | C18 | C6 | 179.7° | 65.7° |
| C11 | N3 | C18 | H15 | 59.9° | 54.2° |
| C11 | N3 | C18 | H16 | 59.2° | 174.2° |
| C11 | N3 | C7 | H18 | 170.7° | 58.3° |
| C11 | N3 | C7 | H19 | 50.3° | 178.3° |
| N3 | C11 | C10 | H24 | 175.6° | 179.1° |
| N3 | C11 | C10 | H25 | 65.1° | 60.8° |
| N3 | C11 | H26 | H27 | 120.0° | 119.9° |
| N3 | C18 | C6 | H15 | 120.5° | 119.9° |
| N3 | C18 | C6 | H16 | 120.5° | 120.1° |
| N3 | C18 | C6 | C5 | 103.0° | 90.1° |
| N3 | C18 | C6 | C4 | 77.8° | 89.9° |
| N3 | C18 | H15 | H16 | 118.6° | 120.0° |
| C18 | N3 | C7 | H18 | 52.1° | 65.9° |
| C18 | N3 | C7 | H19 | 68.2° | 54.1° |
| C18 | N3 | C11 | H26 | 69.7° | 54.1° |
| C18 | N3 | C11 | H27 | 50.3° | 65.8° |
| C18 | C6 | C5 | C4 | 179.2° | 180.0° |
| C18 | C6 | C5 | C3 | 179.9° | 180.0° |
| C18 | C6 | C4 | C2 | 178.8° | 180.0° |
| C18 | C6 | C5 | H14 | 0.1° | 0.0° |
| C6 | C18 | H15 | H16 | 118.6° | 120.0° |
| C18 | C6 | C4 | H28 | 1.2° | 0.0° |
| C13 | C14 | C15 | H9 | 120.5° | 120.0° |
| C13 | C14 | C15 | H10 | 120.5° | 120.0° |
| C14 | C13 | C12 | H11 | 120.0° | 119.9° |
| C14 | C13 | C12 | H12 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 51.9° | 60.0° |
| C13 | C14 | C15 | C27 | 68.3° | 180.0° |
| C14 | C13 | C12 | N2 | 178.9° | 60.0° |
| C14 | C13 | C12 | C17 | 61.3° | 60.0° |
| C13 | C14 | C15 | H4 | 171.6° | 60.0° |
| C13 | C14 | H9 | H10 | 118.5° | 119.9° |
| C14 | C13 | H11 | H12 | 119.9° | 120.1° |
| C14 | C13 | C12 | H13 | 56.1° | 180.0° |
| C15 | C14 | C13 | C12 | 58.5° | 60.0° |
| C14 | C15 | C16 | C27 | 121.5° | 120.0° |
| C14 | C15 | C16 | H4 | 119.6° | 120.1° |
| C14 | C15 | C27 | H4 | 120.1° | 120.0° |
| C14 | C15 | C16 | C17 | 50.5° | 60.0° |
| C14 | C15 | C27 | O3 | 26.9° | 112.9° |
| C14 | C15 | C27 | O2 | 152.2° | 67.2° |
| C14 | C15 | C16 | H5 | 171.0° | 60.0° |
| C14 | C15 | C16 | H6 | 69.9° | 180.0° |
| C15 | C14 | H9 | H10 | 118.5° | 120.1° |
| C15 | C14 | C13 | H11 | 178.6° | 59.9° |
| C15 | C14 | C13 | H12 | 61.5° | 180.0° |
| C6 | C5 | C3 | H14 | 180.0° | 180.0° |
| C5 | C6 | C4 | C2 | 0.4° | 0.0° |
| C6 | C5 | C3 | N2 | 179.2° | 180.0° |
| C6 | C5 | C3 | C1 | 0.8° | 0.0° |
| C5 | C6 | C18 | H15 | 17.5° | 150.0° |
| C5 | C6 | C18 | H16 | 136.6° | 30.0° |
| C5 | C6 | C4 | H28 | 179.6° | 180.0° |
| C4 | C6 | C5 | C3 | 0.7° | 0.0° |
| C6 | C4 | C2 | H28 | 180.0° | 180.0° |
| C6 | C4 | C2 | C1 | 1.3° | 0.0° |
| C4 | C6 | C5 | H14 | 179.3° | 180.0° |
| C4 | C6 | C18 | H15 | 161.7° | 30.0° |
| C4 | C6 | C18 | H16 | 42.6° | 150.0° |
| C6 | C4 | C2 | H29 | 178.7° | 180.0° |
| C5 | C3 | N2 | C12 | 2.0° | 0.0° |
| C5 | C3 | N2 | C1 | 179.9° | 180.0° |
| C5 | C3 | N2 | C19 | 179.8° | 179.8° |
| C5 | C3 | C1 | C2 | 0.2° | 0.0° |
| C5 | C3 | C1 | N1 | 179.7° | 180.0° |
| C13 | C12 | N2 | C17 | 120.3° | 120.0° |
| C13 | C12 | N2 | H13 | 122.5° | 119.9° |
| C13 | C12 | C17 | H13 | 117.5° | 120.0° |
| C13 | C12 | N2 | C3 | 137.0° | 132.2° |
| C13 | C12 | N2 | C19 | 45.6° | 48.1° |
| C13 | C12 | C17 | C16 | 60.7° | 60.0° |
| C13 | C12 | C17 | H7 | 179.1° | 180.0° |
| C13 | C12 | C17 | H8 | 59.5° | 60.0° |
| C12 | C13 | C14 | H9 | 179.0° | 180.0° |
| C12 | C13 | C14 | H10 | 62.0° | 60.0° |
| C12 | C13 | H11 | H12 | 119.9° | 120.0° |
| C16 | C15 | C27 | H4 | 118.9° | 120.0° |
| C15 | C16 | C17 | C12 | 56.4° | 60.0° |
| C15 | C16 | C17 | H5 | 120.5° | 120.0° |
| C15 | C16 | C17 | H6 | 120.5° | 120.0° |
| C16 | C15 | C27 | O3 | 148.0° | 7.1° |
| C16 | C15 | C27 | O2 | 31.2° | 172.9° |
| C15 | C16 | H5 | H6 | 118.5° | 120.0° |
| C15 | C16 | C17 | H7 | 176.6° | 180.0° |
| C15 | C16 | C17 | H8 | 63.8° | 60.0° |
| C16 | C15 | C14 | H9 | 172.4° | 180.0° |
| C16 | C15 | C14 | H10 | 68.6° | 60.0° |
| C27 | C15 | C16 | C17 | 71.0° | 180.0° |
| C15 | C27 | O3 | O2 | 179.1° | 180.0° |
| C15 | C27 | O2 | C28 | 169.1° | 174.8° |
| C27 | C15 | C16 | H5 | 49.5° | 60.0° |
| C27 | C15 | C16 | H6 | 168.6° | 60.0° |
| C27 | C15 | C14 | H9 | 52.2° | 60.0° |
| C27 | C15 | C14 | H10 | 171.2° | 60.0° |
| N2 | C12 | C17 | H13 | 117.8° | 120.0° |
| C12 | N2 | C3 | C19 | 177.8° | 179.7° |
| C12 | N2 | C3 | C1 | 178.1° | 180.0° |
| N2 | C12 | C17 | C16 | 174.5° | 60.0° |
| C12 | N2 | C19 | N1 | 177.8° | 179.8° |
| C12 | N2 | C19 | N4 | 0.3° | 0.0° |
| N2 | C12 | C17 | H7 | 54.3° | 60.0° |
| N2 | C12 | C17 | H8 | 65.3° | 180.0° |
| N2 | C12 | C13 | H11 | 58.9° | 180.0° |
| N2 | C12 | C13 | H12 | 61.0° | 60.0° |
| C17 | C12 | N2 | C3 | 102.7° | 12.2° |
| C17 | C12 | N2 | C19 | 74.7° | 168.1° |
| C12 | C17 | C16 | H7 | 120.2° | 120.0° |
| C12 | C17 | C16 | H8 | 120.2° | 120.0° |
| C12 | C17 | C16 | H5 | 176.9° | 60.0° |
| C12 | C17 | C16 | H6 | 64.1° | 180.0° |
| C12 | C17 | H7 | H8 | 119.4° | 120.1° |
| C17 | C12 | C13 | H11 | 178.6° | 59.9° |
| C17 | C12 | C13 | H12 | 58.7° | 180.0° |
| C4 | C2 | C1 | C3 | 1.2° | 0.0° |
| C4 | C2 | C1 | H29 | 180.0° | 180.0° |
| C4 | C2 | C1 | N1 | 179.4° | 180.0° |
| N2 | C3 | C1 | C2 | 179.9° | 180.0° |
| N2 | C3 | C1 | N1 | 0.3° | 0.0° |
| C3 | N2 | C19 | N1 | 0.1° | 0.4° |
| C3 | N2 | C19 | N4 | 177.4° | 179.7° |
| C3 | N2 | C12 | H13 | 14.5° | 107.8° |
| N2 | C3 | C5 | H14 | 0.8° | 0.0° |
| C1 | C3 | N2 | C19 | 0.3° | 0.2° |
| C3 | C1 | C2 | N1 | 179.4° | 180.0° |
| C3 | C1 | N1 | C19 | 0.3° | 0.3° |
| C1 | C3 | C5 | H14 | 179.2° | 180.0° |
| C3 | C1 | C2 | H29 | 178.8° | 180.0° |
| N2 | C19 | N1 | C1 | 0.1° | 0.4° |
| N2 | C19 | N1 | N4 | 177.6° | 179.8° |
| N2 | C19 | N4 | C20 | 178.1° | 174.0° |
| C19 | N2 | C12 | H13 | 168.1° | 71.8° |
| N2 | C19 | N4 | H30 | 1.9° | 5.9° |
| C17 | C16 | C15 | H4 | 170.2° | 60.0° |
| C17 | C16 | H5 | H6 | 118.5° | 120.0° |
| C16 | C17 | H7 | H8 | 119.4° | 119.9° |
| C16 | C17 | C12 | H13 | 56.8° | 180.0° |
| O3 | C27 | O2 | C28 | 11.8° | 5.2° |
| O3 | C27 | C15 | H4 | 93.2° | 127.1° |
| C2 | C1 | N1 | C19 | 179.7° | 179.7° |
| C1 | C2 | C4 | H28 | 178.7° | 180.0° |
| C1 | N1 | C19 | N4 | 177.7° | 179.7° |
| N1 | C1 | C2 | H29 | 0.7° | 0.0° |
| C27 | O2 | C28 | H1 | 180.0° | 65.0° |
| C27 | O2 | C28 | H2 | 60.0° | 55.0° |
| C27 | O2 | C28 | H3 | 60.0° | 175.1° |
| O2 | C27 | C15 | H4 | 87.7° | 52.9° |
| N1 | C19 | N4 | C20 | 0.9° | 5.8° |
| N1 | C19 | N4 | H30 | 179.1° | 174.3° |
| C19 | N4 | C20 | H30 | 180.0° | 179.9° |
| C19 | N4 | C20 | O1 | 2.7° | 5.1° |
| C19 | N4 | C20 | C21 | 172.8° | 174.9° |
| N4 | C20 | O1 | C21 | 175.4° | 179.9° |
| N4 | C20 | C21 | C22 | 3.7° | 5.8° |
| N4 | C20 | C21 | C26 | 174.2° | 174.4° |
| O2 | C28 | H1 | H2 | 120.0° | 120.0° |
| O2 | C28 | H1 | H3 | 120.0° | 120.0° |
| O2 | C28 | H2 | H3 | 120.0° | 120.0° |
| O1 | C20 | C21 | C22 | 179.6° | 174.2° |
| O1 | C20 | C21 | C26 | 1.7° | 5.6° |
| O1 | C20 | N4 | H30 | 177.3° | 175.0° |
| C20 | C21 | C22 | C26 | 177.8° | 179.8° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C20 | C21 | C26 | C25 | 179.1° | 179.7° |
| C21 | C20 | N4 | H30 | 7.2° | 5.1° |
| C20 | C21 | C22 | H31 | 0.1° | 0.0° |
| C20 | C21 | C26 | H35 | 0.9° | 0.0° |
| C21 | C22 | C23 | H31 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.7° | 0.1° |
| C22 | C21 | C26 | C25 | 1.2° | 0.5° |
| C21 | C22 | C23 | H32 | 178.3° | 180.0° |
| C22 | C21 | C26 | H35 | 178.8° | 179.7° |
| C23 | C22 | C21 | C26 | 2.0° | 0.2° |
| C22 | C23 | C24 | H32 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C22 | C23 | C24 | H33 | 179.5° | 179.9° |
| C21 | C26 | C25 | H35 | 180.0° | 179.8° |
| C21 | C26 | C25 | C24 | 0.0° | 0.5° |
| C26 | C21 | C22 | H31 | 178.0° | 179.7° |
| C21 | C26 | C25 | H34 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.3° | 0.2° |
| C23 | C24 | C25 | H33 | 180.0° | 180.0° |
| C24 | C23 | C22 | H31 | 178.3° | 180.0° |
| C23 | C24 | C25 | H34 | 179.7° | 180.0° |
| C26 | C25 | C24 | H34 | 180.0° | 179.8° |
| C26 | C25 | C24 | H33 | 179.7° | 179.7° |
| C25 | C24 | C23 | H32 | 179.5° | 180.0° |
| C24 | C25 | C26 | H35 | 180.0° | 179.7° |
| H1 | C28 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | C16 | H5 | 69.4° | 180.0° |
| H4 | C15 | C16 | H6 | 49.7° | 60.0° |
| H4 | C15 | C14 | H9 | 67.9° | 60.0° |
| H4 | C15 | C14 | H10 | 51.1° | NaN° |
| H5 | C16 | C17 | H7 | 62.9° | 60.0° |
| H5 | C16 | C17 | H8 | 56.7° | 179.9° |
| H6 | C16 | C17 | H7 | 56.1° | 60.0° |
| H6 | C16 | C17 | H8 | 175.7° | 60.0° |
| H7 | C17 | C12 | H13 | 63.4° | 60.0° |
| H8 | C17 | C12 | H13 | 177.0° | 60.0° |
| H9 | C14 | C13 | H11 | 60.9° | 60.1° |
| H9 | C14 | C13 | H12 | 59.0° | 60.0° |
| H10 | C14 | C13 | H11 | 58.1° | 180.0° |
| H10 | C14 | C13 | H12 | 178.0° | 59.9° |
| H11 | C13 | C12 | H13 | 64.0° | 60.1° |
| H12 | C13 | C12 | H13 | 176.1° | 60.0° |
| H18 | C7 | C8 | H20 | 57.3° | 59.1° |
| H18 | C7 | C8 | H21 | 62.1° | 179.2° |
| H19 | C7 | C8 | H20 | 177.7° | 60.9° |
| H19 | C7 | C8 | H21 | 58.3° | 59.1° |
| H20 | C8 | C9 | H22 | 164.2° | 57.7° |
| H20 | C8 | C9 | H23 | 45.2° | 62.5° |
| H21 | C8 | C9 | H22 | 44.8° | 177.8° |
| H21 | C8 | C9 | H23 | 74.2° | 57.6° |
| H22 | C9 | C10 | H24 | 43.5° | 57.7° |
| H22 | C9 | C10 | H25 | 162.9° | 177.8° |
| H23 | C9 | C10 | H24 | 75.5° | 62.5° |
| H23 | C9 | C10 | H25 | 43.9° | 57.6° |
| H24 | C10 | C11 | H26 | 55.6° | 60.8° |
| H24 | C10 | C11 | H27 | 64.4° | 59.1° |
| H25 | C10 | C11 | H26 | 174.9° | 59.3° |
| H25 | C10 | C11 | H27 | 54.9° | 179.2° |
| H28 | C4 | C2 | H29 | 1.3° | 0.0° |
| H31 | C22 | C23 | H32 | 1.7° | 0.0° |
| H32 | C23 | C24 | H33 | 0.5° | 0.0° |
| H33 | C24 | C25 | H34 | 0.3° | 0.0° |
| H34 | C25 | C26 | H35 | 0.0° | 0.1° |
