2EI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N3 | sing | 1.47Å | 1.46Å | |
| C24 | N3 | sing | 1.47Å | 1.46Å | |
| C24 | C22 | sing | 1.51Å | 1.50Å | |
| N3 | C25 | sing | 1.34Å | 1.36Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | O2 | doub | 1.22Å | 1.22Å | |
| C25 | C21 | sing | 1.48Å | 1.48Å | |
| C23 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C15 | sing | 1.36Å | 1.38Å | |
| O1 | C17 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C2 | C1 | sing | 1.54Å | 1.53Å | |
| C9 | C27 | sing | 1.48Å | 1.48Å | |
| C9 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| N1 | C8 | sing | 1.35Å | 1.35Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C31 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C30 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C29 | sing | 1.32Å | 1.34Å | Aromatic |
| N | C4 | sing | 1.48Å | 1.46Å | |
| N | C5 | sing | 1.35Å | 1.35Å | |
| O | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N3 | C24 | 122.9° | 125.7° |
| C26 | N3 | C25 | 123.7° | 125.6° |
| N3 | C26 | H19 | 109.5° | 109.5° |
| N3 | C26 | H20 | 109.5° | 109.5° |
| N3 | C26 | H21 | 109.4° | 109.5° |
| N3 | C24 | C22 | 102.3° | 106.3° |
| C24 | N3 | C25 | 113.3° | 108.7° |
| N3 | C24 | H15 | 111.2° | 110.1° |
| N3 | C24 | H16 | 111.2° | 110.1° |
| C24 | C22 | C23 | 130.9° | 133.2° |
| C24 | C22 | C21 | 109.4° | 106.5° |
| C22 | C24 | H15 | 111.2° | 110.0° |
| C22 | C24 | H16 | 111.2° | 110.2° |
| N3 | C25 | O2 | 125.3° | 124.8° |
| N3 | C25 | C21 | 106.3° | 110.3° |
| C23 | C22 | C21 | 119.7° | 120.3° |
| C22 | C23 | C18 | 121.2° | 119.9° |
| C22 | C23 | H22 | 119.4° | 120.0° |
| C22 | C21 | C25 | 108.7° | 108.2° |
| C22 | C21 | C20 | 120.0° | 119.4° |
| O2 | C25 | C21 | 128.5° | 124.8° |
| C25 | C21 | C20 | 131.1° | 132.4° |
| C23 | C18 | C17 | 120.2° | 119.9° |
| C23 | C18 | C19 | 118.4° | 120.2° |
| C18 | C23 | H22 | 119.4° | 120.1° |
| C13 | C14 | C15 | 119.1° | 120.2° |
| C14 | C13 | C12 | 120.4° | 120.2° |
| C14 | C13 | H10 | 119.8° | 119.9° |
| C13 | C14 | H11 | 120.4° | 119.9° |
| C14 | C15 | O1 | 115.3° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C15 | C14 | H11 | 120.4° | 119.9° |
| C21 | C20 | C19 | 119.5° | 119.8° |
| C21 | C20 | H14 | 120.3° | 120.0° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C13 | C12 | H9 | 119.8° | 120.0° |
| C12 | C13 | H10 | 119.8° | 120.0° |
| C15 | O1 | C17 | 118.2° | 117.0° |
| O1 | C15 | C16 | 123.6° | 120.0° |
| O1 | C17 | C18 | 109.5° | 109.5° |
| O1 | C17 | H23 | 109.5° | 109.4° |
| O1 | C17 | H24 | 109.5° | 109.4° |
| C15 | C16 | C11 | 119.5° | 119.8° |
| C15 | C16 | H12 | 120.3° | 120.1° |
| C17 | C18 | C19 | 121.4° | 119.9° |
| C18 | C17 | H23 | 109.5° | 109.5° |
| C18 | C17 | H24 | 109.4° | 109.5° |
| C18 | C19 | C20 | 121.2° | 120.4° |
| C18 | C19 | H13 | 119.4° | 119.8° |
| C20 | C19 | H13 | 119.4° | 119.8° |
| C19 | C20 | H14 | 120.3° | 120.1° |
| C12 | C11 | C16 | 119.4° | 119.8° |
| C12 | C11 | C10 | 119.7° | 120.1° |
| C11 | C12 | H9 | 119.7° | 120.0° |
| C16 | C11 | C10 | 120.9° | 120.1° |
| C11 | C16 | H12 | 120.2° | 120.1° |
| C11 | C10 | N2 | 118.8° | 126.1° |
| C11 | C10 | C9 | 129.2° | 126.0° |
| N2 | C10 | C9 | 111.5° | 107.8° |
| C10 | N2 | N1 | 104.0° | 108.4° |
| C10 | C9 | C27 | 129.6° | 126.3° |
| C10 | C9 | C8 | 104.7° | 107.4° |
| N2 | N1 | C3 | 120.3° | 125.7° |
| N2 | N1 | C8 | 112.9° | 108.5° |
| C3 | C2 | C1 | 105.4° | 102.9° |
| C2 | C3 | N1 | 113.3° | 111.0° |
| C2 | C3 | C4 | 103.6° | 101.6° |
| C3 | C2 | H2 | 110.5° | 110.7° |
| C3 | C2 | H3 | 110.5° | 110.7° |
| C2 | C3 | H4 | 108.4° | 111.0° |
| C2 | C1 | C | 114.6° | 110.0° |
| C2 | C1 | N | 102.4° | 107.3° |
| C2 | C1 | H1 | 107.7° | 109.9° |
| C1 | C2 | H2 | 110.5° | 110.7° |
| C1 | C2 | H3 | 110.5° | 110.7° |
| C27 | C9 | C8 | 125.5° | 126.3° |
| C9 | C27 | C31 | 120.7° | 120.9° |
| C9 | C27 | C28 | 121.2° | 120.9° |
| C9 | C8 | N1 | 106.8° | 107.8° |
| C9 | C8 | H8 | 126.6° | 126.1° |
| C3 | N1 | C8 | 126.8° | 125.8° |
| N1 | C3 | C4 | 113.6° | 111.0° |
| N1 | C3 | H4 | 109.2° | 110.9° |
| N1 | C8 | H8 | 126.6° | 126.1° |
| C | C1 | N | 115.7° | 109.9° |
| C | C1 | H1 | 107.7° | 109.8° |
| C1 | C | H29 | 109.5° | 109.4° |
| C1 | C | H30 | 109.5° | 109.4° |
| C1 | C | H31 | 109.5° | 109.5° |
| C27 | C31 | C30 | 118.8° | 119.0° |
| C31 | C27 | C28 | 118.1° | 118.2° |
| C27 | C31 | H18 | 120.6° | 120.5° |
| C31 | C30 | N4 | 123.6° | 120.9° |
| C31 | C30 | H17 | 118.2° | 119.5° |
| C30 | C31 | H18 | 120.6° | 120.5° |
| C27 | C28 | C29 | 118.8° | 119.0° |
| C27 | C28 | H26 | 120.6° | 120.5° |
| C3 | C4 | N | 107.0° | 104.8° |
| C4 | C3 | H4 | 108.5° | 111.0° |
| C3 | C4 | H27 | 110.1° | 110.3° |
| C3 | C4 | H28 | 110.1° | 110.4° |
| C1 | N | C4 | 110.4° | 108.7° |
| C1 | N | C5 | 121.9° | 125.7° |
| N | C1 | H1 | 108.2° | 109.9° |
| C30 | N4 | C29 | 117.0° | 121.9° |
| N4 | C30 | H17 | 118.2° | 119.5° |
| C28 | C29 | N4 | 123.6° | 120.9° |
| C28 | C29 | H25 | 118.2° | 119.5° |
| C29 | C28 | H26 | 120.6° | 120.5° |
| N4 | C29 | H25 | 118.2° | 119.5° |
| C4 | N | C5 | 127.7° | 125.6° |
| N | C4 | H27 | 110.1° | 110.3° |
| N | C4 | H28 | 110.1° | 110.5° |
| N | C5 | O | 121.7° | 120.0° |
| N | C5 | C6 | 116.0° | 120.0° |
| O | C5 | C6 | 122.3° | 120.0° |
| C5 | C6 | C7 | 113.5° | 109.5° |
| C5 | C6 | H32 | 108.4° | 109.5° |
| C5 | C6 | H33 | 108.4° | 109.4° |
| C6 | C7 | H5 | 109.5° | 109.4° |
| C6 | C7 | H6 | 109.5° | 109.4° |
| C6 | C7 | H7 | 109.4° | 109.5° |
| C7 | C6 | H32 | 108.5° | 109.5° |
| C7 | C6 | H33 | 108.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 110.8° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 110.1° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H27 | C4 | H28 | 109.4° | 110.4° |
| H29 | C | H30 | 109.4° | 109.5° |
| H29 | C | H31 | 109.4° | 109.5° |
| H30 | C | H31 | 109.5° | 109.5° |
| H32 | C6 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N3 | C24 | C25 | 177.0° | 179.8° |
| C26 | N3 | C24 | C22 | 178.0° | 180.0° |
| C26 | N3 | C25 | O2 | 1.8° | 0.1° |
| C26 | N3 | C25 | C21 | 177.9° | 179.9° |
| C26 | N3 | C24 | H15 | 63.1° | 60.9° |
| C26 | N3 | C24 | H16 | 59.2° | 60.6° |
| N3 | C26 | H19 | H20 | 120.0° | 120.0° |
| N3 | C26 | H19 | H21 | 120.0° | 120.0° |
| N3 | C26 | H20 | H21 | 119.9° | 120.1° |
| N3 | C24 | C22 | H15 | 118.8° | 119.1° |
| N3 | C24 | C22 | H16 | 118.9° | 119.3° |
| N3 | C24 | C22 | C23 | 179.5° | 180.0° |
| N3 | C24 | C22 | C21 | 0.8° | 0.2° |
| C24 | N3 | C25 | O2 | 178.7° | 179.9° |
| C24 | N3 | C25 | C21 | 0.9° | 0.1° |
| N3 | C24 | H15 | H16 | 123.3° | 121.6° |
| C24 | N3 | C26 | H19 | 180.0° | 90.0° |
| C24 | N3 | C26 | H20 | 60.0° | 150.0° |
| C24 | N3 | C26 | H21 | 60.0° | 30.0° |
| C22 | C24 | N3 | C25 | 1.1° | 0.2° |
| C24 | C22 | C23 | C21 | 179.8° | 179.8° |
| C24 | C22 | C21 | C25 | 0.3° | 0.1° |
| C24 | C22 | C23 | C18 | 178.7° | 180.0° |
| C24 | C22 | C21 | C20 | 177.5° | 179.8° |
| C22 | C24 | H15 | H16 | 123.3° | 121.7° |
| C24 | C22 | C23 | H22 | 1.3° | 0.2° |
| N3 | C25 | C21 | C22 | 0.4° | 0.0° |
| N3 | C25 | O2 | C21 | 179.6° | 179.9° |
| N3 | C25 | C21 | C20 | 176.5° | 179.9° |
| C25 | N3 | C24 | H15 | 119.9° | 119.3° |
| C25 | N3 | C24 | H16 | 117.8° | 119.2° |
| C25 | N3 | C26 | H19 | 3.3° | 89.8° |
| C25 | N3 | C26 | H20 | 116.7° | 30.2° |
| C25 | N3 | C26 | H21 | 123.3° | 150.3° |
| C23 | C22 | C21 | C25 | 179.9° | 180.0° |
| C22 | C23 | C18 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 2.7° | 0.0° |
| C22 | C23 | C18 | C17 | 179.8° | 180.0° |
| C22 | C23 | C18 | C19 | 0.7° | 0.5° |
| C23 | C22 | C24 | H15 | 60.6° | 60.9° |
| C23 | C22 | C24 | H16 | 61.7° | 60.7° |
| C22 | C21 | C25 | O2 | 179.2° | 179.9° |
| C22 | C21 | C25 | C20 | 176.9° | 179.9° |
| C21 | C22 | C23 | C18 | 1.5° | 0.2° |
| C22 | C21 | C20 | C19 | 3.0° | 0.0° |
| C22 | C21 | C20 | H14 | 177.0° | 179.9° |
| C21 | C22 | C24 | H15 | 119.6° | 119.3° |
| C21 | C22 | C24 | H16 | 118.1° | 119.1° |
| C21 | C22 | C23 | H22 | 178.5° | 179.9° |
| O2 | C25 | C21 | C20 | 3.9° | 0.1° |
| C25 | C21 | C20 | C19 | 179.6° | 179.9° |
| C25 | C21 | C20 | H14 | 0.5° | 0.0° |
| C23 | C18 | C17 | O1 | 94.2° | 90.0° |
| C23 | C18 | C17 | C19 | 179.4° | 179.5° |
| C23 | C18 | C19 | C20 | 1.1° | 0.5° |
| C23 | C18 | C19 | H13 | 179.0° | 179.8° |
| C23 | C18 | C17 | H23 | 25.7° | 150.0° |
| C23 | C18 | C17 | H24 | 145.8° | 30.0° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | O1 | 178.3° | 179.9° |
| C13 | C14 | C15 | C16 | 4.2° | 0.3° |
| C14 | C13 | C12 | C11 | 4.1° | 0.0° |
| C14 | C13 | C12 | H9 | 175.8° | 180.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C14 | C15 | O1 | C16 | 173.9° | 179.8° |
| C14 | C15 | O1 | C17 | 175.1° | 0.0° |
| C14 | C15 | C16 | C11 | 5.6° | 0.6° |
| C15 | C14 | C13 | H10 | 179.4° | 180.0° |
| C14 | C15 | C16 | H12 | 174.4° | 180.0° |
| C21 | C20 | C19 | C18 | 2.2° | 0.3° |
| C21 | C20 | C19 | H14 | 180.0° | 179.9° |
| C21 | C20 | C19 | H13 | 177.8° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 2.7° | 0.3° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C12 | C13 | C14 | H11 | 179.4° | 180.0° |
| C15 | O1 | C17 | C18 | 166.4° | 180.0° |
| O1 | C15 | C16 | C11 | 179.2° | 179.7° |
| O1 | C15 | C14 | H11 | 1.6° | 0.1° |
| O1 | C15 | C16 | H12 | 0.8° | 0.3° |
| C15 | O1 | C17 | H23 | 73.6° | 60.0° |
| C15 | O1 | C17 | H24 | 46.4° | 60.0° |
| C17 | O1 | C15 | C16 | 1.2° | 179.7° |
| O1 | C17 | C18 | H23 | 120.0° | 119.9° |
| O1 | C17 | C18 | H24 | 120.0° | 120.0° |
| O1 | C17 | C18 | C19 | 85.2° | 90.5° |
| O1 | C17 | H23 | H24 | 120.0° | 120.0° |
| C15 | C16 | C11 | C12 | 2.1° | 0.6° |
| C15 | C16 | C11 | H12 | 180.0° | 179.4° |
| C15 | C16 | C11 | C10 | 175.2° | 179.7° |
| C16 | C15 | C14 | H11 | 175.7° | 179.7° |
| C17 | C18 | C19 | C20 | 179.5° | 180.0° |
| C17 | C18 | C19 | H13 | 0.5° | 0.3° |
| C17 | C18 | C23 | H22 | 0.1° | 0.2° |
| C18 | C17 | H23 | H24 | 120.0° | 120.1° |
| C18 | C19 | C20 | H13 | 180.0° | 179.7° |
| C18 | C19 | C20 | H14 | 177.8° | 179.8° |
| C19 | C18 | C23 | H22 | 179.3° | 179.7° |
| C19 | C18 | C17 | H23 | 154.8° | 29.5° |
| C19 | C18 | C17 | H24 | 34.8° | 149.6° |
| C12 | C11 | C16 | C10 | 177.3° | 179.8° |
| C12 | C11 | C10 | N2 | 118.4° | 145.0° |
| C12 | C11 | C10 | C9 | 52.8° | 34.7° |
| C11 | C12 | C13 | H10 | 175.9° | 180.0° |
| C12 | C11 | C16 | H12 | 177.9° | 180.0° |
| C16 | C11 | C10 | N2 | 58.9° | 35.2° |
| C16 | C11 | C10 | C9 | 129.9° | 145.0° |
| C16 | C11 | C12 | H9 | 177.2° | 179.7° |
| C11 | C10 | N2 | C9 | 172.7° | 179.8° |
| C11 | C10 | N2 | N1 | 175.2° | 179.9° |
| C11 | C10 | C9 | C27 | 9.7° | 0.2° |
| C11 | C10 | C9 | C8 | 175.2° | 179.8° |
| C10 | C11 | C12 | H9 | 0.1° | 0.0° |
| C10 | C11 | C16 | H12 | 4.8° | 0.3° |
| N2 | C10 | C9 | C27 | 178.5° | 180.0° |
| N2 | C10 | C9 | C8 | 3.4° | 0.0° |
| C10 | N2 | N1 | C3 | 178.9° | 180.0° |
| C10 | N2 | N1 | C8 | 0.6° | 0.5° |
| C9 | C10 | N2 | N1 | 2.5° | 0.3° |
| C10 | C9 | C27 | C8 | 174.2° | 180.0° |
| C10 | C9 | C8 | N1 | 2.8° | 0.3° |
| C10 | C9 | C27 | C31 | 36.0° | 49.7° |
| C10 | C9 | C27 | C28 | 145.3° | 130.1° |
| C10 | C9 | C8 | H8 | 177.2° | 180.0° |
| N2 | N1 | C3 | C2 | 80.5° | 95.0° |
| N2 | N1 | C8 | C9 | 1.5° | 0.4° |
| N2 | N1 | C3 | C8 | 179.4° | 179.5° |
| N2 | N1 | C3 | C4 | 161.7° | 152.8° |
| N2 | N1 | C3 | H4 | 40.5° | 28.9° |
| N2 | N1 | C8 | H8 | 178.5° | 179.8° |
| C3 | C2 | C1 | H2 | 119.4° | 118.3° |
| C3 | C2 | C1 | H3 | 119.3° | 118.4° |
| C2 | C3 | N1 | C4 | 117.8° | 112.2° |
| C2 | C3 | N1 | H4 | 121.0° | 123.9° |
| C2 | C3 | N1 | C8 | 100.1° | 85.5° |
| C3 | C2 | C1 | C | 92.7° | 141.7° |
| C2 | C3 | C4 | H4 | 115.0° | 118.1° |
| C3 | C2 | C1 | N | 33.5° | 22.2° |
| C2 | C3 | C4 | N | 15.4° | 37.0° |
| C3 | C2 | C1 | H1 | 147.5° | 97.3° |
| C3 | C2 | H2 | H3 | 121.9° | 123.3° |
| C2 | C3 | C4 | H27 | 135.0° | 81.8° |
| C2 | C3 | C4 | H28 | 104.2° | 155.9° |
| C1 | C2 | C3 | N1 | 93.1° | 153.6° |
| C2 | C1 | C | N | 118.9° | 117.9° |
| C2 | C1 | C | H1 | 119.8° | 121.1° |
| C1 | C2 | C3 | C4 | 30.4° | 35.5° |
| C2 | C1 | N | H1 | 113.6° | 119.5° |
| C2 | C1 | N | C4 | 24.4° | 1.0° |
| C2 | C1 | N | C5 | 153.4° | 178.9° |
| C1 | C2 | H2 | H3 | 121.9° | 123.3° |
| C1 | C2 | C3 | H4 | 145.4° | 82.5° |
| C2 | C1 | C | H29 | 180.0° | 179.4° |
| C2 | C1 | C | H30 | 60.0° | 60.7° |
| C2 | C1 | C | H31 | 60.0° | 59.4° |
| C27 | C9 | C8 | N1 | 178.2° | 179.7° |
| C9 | C27 | C31 | C28 | 178.7° | 179.8° |
| C9 | C27 | C31 | C30 | 177.7° | 180.0° |
| C9 | C27 | C28 | C29 | 179.8° | 180.0° |
| C27 | C9 | C8 | H8 | 1.8° | 0.0° |
| C9 | C27 | C31 | H18 | 2.3° | 0.0° |
| C9 | C27 | C28 | H26 | 0.2° | 0.1° |
| C9 | C8 | N1 | C3 | 179.1° | 180.0° |
| C9 | C8 | N1 | H8 | 180.0° | 179.7° |
| C8 | C9 | C27 | C31 | 138.1° | 130.3° |
| C8 | C9 | C27 | C28 | 40.5° | 49.9° |
| N1 | C3 | C4 | H4 | 121.6° | 123.8° |
| N1 | C3 | C4 | N | 107.9° | 155.1° |
| N1 | C3 | C2 | H2 | 147.5° | 35.2° |
| N1 | C3 | C2 | H3 | 26.2° | 88.1° |
| C3 | N1 | C8 | H8 | 0.9° | 0.3° |
| N1 | C3 | C4 | H27 | 11.7° | 36.3° |
| N1 | C3 | C4 | H28 | 132.4° | 86.0° |
| C8 | N1 | C3 | C4 | 17.7° | 26.7° |
| C8 | N1 | C3 | H4 | 138.9° | 150.5° |
| C | C1 | N | H1 | 120.9° | 121.0° |
| C | C1 | N | C4 | 101.1° | 118.5° |
| C | C1 | N | C5 | 81.1° | 61.6° |
| C | C1 | C2 | H2 | 147.9° | 23.3° |
| C | C1 | C2 | H3 | 26.6° | 100.0° |
| C1 | C | H29 | H30 | 120.0° | 119.9° |
| C1 | C | H29 | H31 | 120.0° | 120.0° |
| C1 | C | H30 | H31 | 120.0° | 120.0° |
| C27 | C31 | C30 | H18 | 180.0° | 180.0° |
| C27 | C31 | C30 | N4 | 3.0° | 0.1° |
| C31 | C27 | C28 | C29 | 1.2° | 0.2° |
| C27 | C31 | C30 | H17 | 177.0° | 179.7° |
| C31 | C27 | C28 | H26 | 178.8° | 179.7° |
| C30 | C31 | C27 | C28 | 1.0° | 0.2° |
| C31 | C30 | N4 | H17 | 180.0° | 179.6° |
| C31 | C30 | N4 | C29 | 2.5° | 0.3° |
| C27 | C28 | C29 | H26 | 180.0° | 179.9° |
| C27 | C28 | C29 | N4 | 1.7° | 0.0° |
| C28 | C27 | C31 | H18 | 179.0° | 179.8° |
| C27 | C28 | C29 | H25 | 178.3° | 179.8° |
| C3 | C4 | N | C1 | 5.7° | 24.1° |
| C3 | C4 | N | H27 | 119.6° | 118.8° |
| C3 | C4 | N | H28 | 119.6° | 118.9° |
| C3 | C4 | N | C5 | 171.9° | 155.8° |
| C4 | C3 | C2 | H2 | 89.0° | 82.8° |
| C4 | C3 | C2 | H3 | 149.7° | 153.8° |
| C3 | C4 | H27 | H28 | 121.1° | 122.3° |
| C1 | N | C4 | C5 | 177.6° | 179.9° |
| C1 | N | C5 | O | 1.0° | 0.1° |
| C1 | N | C5 | C6 | 177.3° | 180.0° |
| N | C1 | C2 | H2 | 85.9° | 96.1° |
| N | C1 | C2 | H3 | 152.8° | 140.6° |
| C1 | N | C4 | H27 | 113.9° | 94.7° |
| C1 | N | C4 | H28 | 125.4° | 143.0° |
| N | C1 | C | H29 | 61.1° | 61.5° |
| N | C1 | C | H30 | 179.0° | 178.6° |
| N | C1 | C | H31 | 58.9° | 58.5° |
| C30 | N4 | C29 | C28 | 0.1° | 0.3° |
| N4 | C30 | C31 | H18 | 177.0° | 180.0° |
| C30 | N4 | C29 | H25 | 179.9° | 179.9° |
| C28 | C29 | N4 | H25 | 180.0° | 179.8° |
| C29 | N4 | C30 | H17 | 177.5° | 180.0° |
| N4 | C29 | C28 | H26 | 178.3° | 180.0° |
| C4 | N | C5 | O | 178.4° | 180.0° |
| C4 | N | C5 | C6 | 0.1° | 0.1° |
| C4 | N | C1 | H1 | 138.0° | 120.5° |
| N | C4 | C3 | H4 | 130.4° | 81.1° |
| N | C4 | H27 | H28 | 121.2° | 122.3° |
| N | C5 | O | C6 | 178.2° | 179.9° |
| N | C5 | C6 | C7 | 127.8° | 179.9° |
| C5 | N | C1 | H1 | 39.8° | 59.4° |
| C5 | N | C4 | H27 | 68.5° | 85.4° |
| C5 | N | C4 | H28 | 52.3° | 36.9° |
| N | C5 | C6 | H32 | 7.2° | 60.0° |
| N | C5 | C6 | H33 | 111.6° | 59.9° |
| O | C5 | C6 | C7 | 53.9° | 0.0° |
| O | C5 | C6 | H32 | 174.5° | 120.0° |
| O | C5 | C6 | H33 | 66.7° | 120.0° |
| C5 | C6 | C7 | H32 | 120.6° | 120.0° |
| C5 | C6 | C7 | H33 | 120.6° | 119.9° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 60.0° | 60.0° |
| C5 | C6 | C7 | H7 | 60.0° | 60.0° |
| C5 | C6 | H32 | H33 | 118.1° | 119.9° |
| C6 | C7 | H5 | H6 | 120.0° | 119.9° |
| C6 | C7 | H5 | H7 | 120.0° | 120.0° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C6 | H32 | H33 | 118.2° | 120.1° |
| H1 | C1 | C2 | H2 | 28.1° | 144.4° |
| H1 | C1 | C2 | H3 | 93.2° | 21.1° |
| H1 | C1 | C | H29 | 60.2° | 59.6° |
| H1 | C1 | C | H30 | 59.8° | 60.4° |
| H1 | C1 | C | H31 | 179.9° | 179.6° |
| H2 | C2 | C3 | H4 | 26.1° | 159.1° |
| H3 | C2 | C3 | H4 | 95.2° | 35.8° |
| H4 | C3 | C4 | H27 | 109.9° | 160.1° |
| H4 | C3 | C4 | H28 | 10.8° | 37.9° |
| H5 | C7 | H6 | H7 | 120.0° | 120.1° |
| H5 | C7 | C6 | H32 | 59.4° | 60.0° |
| H5 | C7 | C6 | H33 | 59.4° | 60.1° |
| H6 | C7 | C6 | H32 | 179.4° | 60.0° |
| H6 | C7 | C6 | H33 | 60.6° | 180.0° |
| H7 | C7 | C6 | H32 | 60.6° | 180.0° |
| H7 | C7 | C6 | H33 | 179.4° | 59.9° |
| H9 | C12 | C13 | H10 | 4.2° | 0.0° |
| H10 | C13 | C14 | H11 | 0.6° | 0.0° |
| H13 | C19 | C20 | H14 | 2.2° | 0.1° |
| H17 | C30 | C31 | H18 | 3.0° | 0.3° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
| H25 | C29 | C28 | H26 | 1.7° | 0.3° |
| H29 | C | H30 | H31 | 119.9° | 120.1° |
