A1JPF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C6 | sing | 1.53Å | 1.54Å | |
| C14 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C11 | sing | 1.53Å | 1.54Å | |
| C5 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.40Å | 1.40Å | |
| C2 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.38Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C9 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C18 | sing | 1.46Å | 1.47Å | |
| C18 | C24 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| C20 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | O2 | doub | 1.21Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.08Å | 1.08Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C6 | 110.0° | 109.4° |
| C15 | C14 | C10 | 109.9° | 109.5° |
| C15 | C14 | C13 | 109.9° | 109.5° |
| C14 | C15 | H10 | 109.4° | 109.4° |
| C14 | C15 | H11 | 109.4° | 109.5° |
| C15 | C14 | H23 | 109.2° | 109.5° |
| C15 | C6 | C5 | 114.0° | 109.5° |
| C15 | C6 | C7 | 108.6° | 109.5° |
| C15 | C6 | C11 | 108.0° | 109.5° |
| C6 | C15 | H10 | 109.3° | 109.5° |
| C6 | C15 | H11 | 109.3° | 109.5° |
| C10 | C14 | C13 | 109.2° | 109.5° |
| C14 | C10 | C8 | 109.7° | 109.4° |
| C14 | C10 | H6 | 109.4° | 109.5° |
| C14 | C10 | H7 | 109.4° | 109.5° |
| C10 | C14 | H23 | 109.3° | 109.4° |
| C14 | C13 | C12 | 109.4° | 109.5° |
| C14 | C13 | H8 | 109.5° | 109.5° |
| C14 | C13 | H9 | 109.5° | 109.4° |
| C13 | C14 | H23 | 109.3° | 109.5° |
| C10 | C8 | C7 | 109.0° | 109.5° |
| C10 | C8 | C9 | 109.6° | 109.5° |
| C10 | C8 | H5 | 109.6° | 109.4° |
| C8 | C10 | H6 | 109.4° | 109.5° |
| C8 | C10 | H7 | 109.4° | 109.4° |
| C3 | C4 | C5 | 120.9° | 120.1° |
| C4 | C3 | C2 | 119.6° | 119.9° |
| C3 | C4 | H2 | 119.5° | 119.9° |
| C4 | C3 | H30 | 120.2° | 120.1° |
| C4 | C5 | C6 | 127.7° | 119.9° |
| C4 | C5 | C16 | 118.1° | 120.1° |
| C5 | C4 | H2 | 119.5° | 119.9° |
| C3 | C2 | N1 | 130.5° | 120.1° |
| C3 | C2 | C17 | 119.8° | 119.9° |
| C2 | C3 | H30 | 120.2° | 120.0° |
| C13 | C12 | C11 | 109.0° | 109.5° |
| C13 | C12 | C9 | 109.8° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C13 | C12 | H22 | 109.6° | 109.5° |
| C5 | C6 | C7 | 108.8° | 109.4° |
| C5 | C6 | C11 | 109.3° | 109.4° |
| C6 | C5 | C16 | 114.1° | 120.0° |
| C7 | C6 | C11 | 108.0° | 109.5° |
| C6 | C7 | C8 | 111.0° | 109.5° |
| C6 | C7 | H3 | 109.1° | 109.5° |
| C6 | C7 | H4 | 109.1° | 109.5° |
| C6 | C11 | C12 | 111.0° | 109.5° |
| C6 | C11 | H20 | 109.1° | 109.5° |
| C6 | C11 | H21 | 109.1° | 109.5° |
| C5 | C16 | C17 | 121.1° | 120.1° |
| C5 | C16 | H24 | 119.5° | 119.9° |
| C7 | C8 | C9 | 109.3° | 109.4° |
| C8 | C7 | H3 | 109.1° | 109.4° |
| C8 | C7 | H4 | 109.1° | 109.4° |
| C7 | C8 | H5 | 109.6° | 109.5° |
| C8 | C9 | C12 | 109.6° | 109.5° |
| C9 | C8 | H5 | 109.7° | 109.5° |
| C8 | C9 | H31 | 109.4° | 109.5° |
| C8 | C9 | H32 | 109.4° | 109.5° |
| N1 | C2 | C17 | 109.7° | 120.0° |
| C2 | N1 | C1 | 121.1° | 120.0° |
| C2 | N1 | H1 | 119.5° | 120.1° |
| C2 | C17 | C16 | 120.4° | 119.9° |
| C2 | C17 | H12 | 119.8° | 120.1° |
| N1 | C1 | O1 | 123.2° | 120.0° |
| N1 | C1 | N2 | 113.9° | 120.0° |
| C1 | N1 | H1 | 119.4° | 119.9° |
| C11 | C12 | C9 | 109.3° | 109.4° |
| C12 | C11 | H20 | 109.1° | 109.5° |
| C12 | C11 | H21 | 109.1° | 109.5° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| C9 | C12 | H22 | 109.6° | 109.5° |
| C12 | C9 | H31 | 109.4° | 109.4° |
| C12 | C9 | H32 | 109.4° | 109.5° |
| C16 | C17 | H12 | 119.8° | 120.1° |
| C17 | C16 | H24 | 119.4° | 119.9° |
| O1 | C1 | N2 | 122.9° | 120.0° |
| C1 | N2 | C18 | 120.8° | 120.0° |
| C1 | N2 | H33 | 119.6° | 120.0° |
| N2 | C18 | C24 | 112.3° | 109.5° |
| N2 | C18 | C19 | 110.9° | 109.6° |
| N2 | C18 | H25 | 108.0° | 109.5° |
| C18 | N2 | H33 | 119.6° | 120.0° |
| C24 | C18 | C19 | 110.7° | 109.7° |
| C18 | C24 | C23 | 110.0° | 109.3° |
| C18 | C24 | H18 | 109.3° | 109.6° |
| C18 | C24 | H19 | 109.3° | 109.5° |
| C24 | C18 | H25 | 107.3° | 109.5° |
| C18 | C19 | C20 | 109.8° | 109.3° |
| C19 | C18 | H25 | 107.3° | 109.2° |
| C18 | C19 | H26 | 109.4° | 109.5° |
| C18 | C19 | H27 | 109.4° | 109.5° |
| C24 | C23 | N3 | 110.0° | 108.7° |
| C23 | C24 | H18 | 109.3° | 109.5° |
| C23 | C24 | H19 | 109.3° | 109.5° |
| C24 | C23 | H28 | 109.3° | 109.5° |
| C24 | C23 | H29 | 109.4° | 109.6° |
| C19 | C20 | N3 | 108.8° | 108.7° |
| C19 | C20 | H13 | 109.6° | 109.6° |
| C19 | C20 | H14 | 109.6° | 109.7° |
| C20 | C19 | H26 | 109.4° | 109.5° |
| C20 | C19 | H27 | 109.4° | 109.5° |
| C23 | N3 | C20 | 114.3° | 118.8° |
| C23 | N3 | C21 | 124.4° | 120.6° |
| N3 | C23 | H28 | 109.3° | 109.7° |
| N3 | C23 | H29 | 109.4° | 109.6° |
| C20 | N3 | C21 | 121.3° | 120.6° |
| N3 | C20 | H13 | 109.6° | 109.6° |
| N3 | C20 | H14 | 109.7° | 109.6° |
| N3 | C21 | C22 | 118.0° | 120.0° |
| N3 | C21 | O2 | 121.1° | 120.0° |
| C22 | C21 | O2 | 120.9° | 120.0° |
| C21 | C22 | H15 | 109.5° | 109.5° |
| C21 | C22 | H16 | 109.5° | 109.4° |
| C21 | C22 | H17 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.6° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.6° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H17 | 109.4° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.7° |
| H31 | C9 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C6 | H10 | 120.1° | 119.9° |
| C14 | C15 | C6 | H11 | 120.1° | 120.0° |
| C15 | C14 | C10 | C13 | 120.6° | 120.1° |
| C15 | C14 | C10 | H23 | 119.8° | 120.0° |
| C15 | C14 | C13 | H23 | 119.8° | 120.0° |
| C15 | C14 | C10 | C8 | 60.4° | 60.0° |
| C15 | C14 | C13 | C12 | 60.5° | 60.0° |
| C14 | C15 | C6 | C5 | 179.7° | 180.0° |
| C14 | C15 | C6 | C7 | 58.2° | 60.1° |
| C14 | C15 | C6 | C11 | 58.7° | 60.0° |
| C15 | C14 | C10 | H6 | 179.5° | 59.9° |
| C15 | C14 | C10 | H7 | 59.6° | 180.0° |
| C15 | C14 | C13 | H8 | 59.5° | 180.0° |
| C15 | C14 | C13 | H9 | 179.5° | 60.0° |
| C14 | C15 | H10 | H11 | 119.8° | 120.0° |
| C6 | C15 | C14 | C10 | 59.8° | 60.1° |
| C6 | C15 | C14 | C13 | 60.4° | 60.0° |
| C15 | C6 | C5 | C4 | 23.7° | 60.0° |
| C15 | C6 | C5 | C7 | 121.3° | 120.0° |
| C15 | C6 | C5 | C11 | 121.0° | 120.0° |
| C15 | C6 | C7 | C11 | 116.9° | 120.1° |
| C15 | C6 | C5 | C16 | 159.5° | 119.9° |
| C15 | C6 | C7 | C8 | 58.8° | 60.0° |
| C15 | C6 | C11 | C12 | 59.2° | 60.0° |
| C15 | C6 | C7 | H3 | 61.5° | 60.0° |
| C15 | C6 | C7 | H4 | 179.0° | 180.0° |
| C6 | C15 | H10 | H11 | 119.7° | 120.0° |
| C15 | C6 | C11 | H20 | 179.4° | 179.9° |
| C15 | C6 | C11 | H21 | 61.0° | 60.0° |
| C6 | C15 | C14 | H23 | 179.7° | 180.0° |
| C10 | C14 | C13 | H23 | 119.6° | 119.9° |
| C14 | C10 | C8 | H6 | 120.0° | 120.0° |
| C14 | C10 | C8 | H7 | 120.0° | 120.0° |
| C10 | C14 | C13 | C12 | 60.1° | 60.1° |
| C14 | C10 | C8 | C7 | 59.9° | 60.0° |
| C14 | C10 | C8 | C9 | 59.7° | 60.0° |
| C14 | C10 | C8 | H5 | 179.8° | 180.0° |
| C14 | C10 | H6 | H7 | 119.9° | 120.0° |
| C10 | C14 | C13 | H8 | 180.0° | 60.0° |
| C10 | C14 | C13 | H9 | 59.9° | 180.0° |
| C10 | C14 | C15 | H10 | 60.3° | 180.0° |
| C10 | C14 | C15 | H11 | 179.9° | 59.9° |
| C13 | C14 | C10 | C8 | 60.1° | 60.0° |
| C14 | C13 | C12 | H8 | 120.0° | 120.0° |
| C14 | C13 | C12 | H9 | 120.0° | 120.0° |
| C14 | C13 | C12 | C11 | 59.9° | 59.9° |
| C14 | C13 | C12 | C9 | 59.9° | 60.0° |
| C13 | C14 | C10 | H6 | 59.9° | 180.0° |
| C13 | C14 | C10 | H7 | 179.8° | 59.9° |
| C14 | C13 | H8 | H9 | 120.1° | 119.9° |
| C13 | C14 | C15 | H10 | 179.5° | 60.0° |
| C13 | C14 | C15 | H11 | 59.7° | 179.9° |
| C14 | C13 | C12 | H22 | 179.7° | 179.9° |
| C10 | C8 | C7 | C6 | 59.8° | 60.0° |
| C10 | C8 | C7 | C9 | 119.8° | 120.0° |
| C10 | C8 | C7 | H5 | 120.0° | 120.0° |
| C10 | C8 | C9 | H5 | 120.4° | 120.0° |
| C10 | C8 | C9 | C12 | 59.2° | 60.0° |
| C10 | C8 | C7 | H3 | 60.4° | 60.0° |
| C10 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C10 | H6 | H7 | 119.9° | 120.0° |
| C8 | C10 | C14 | H23 | 179.7° | 180.0° |
| C10 | C8 | C9 | H31 | 60.8° | 60.0° |
| C10 | C8 | C9 | H32 | 179.2° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | H30 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 178.4° | 179.9° |
| C3 | C4 | C5 | C16 | 1.6° | 0.0° |
| C4 | C3 | C2 | N1 | 179.4° | 180.0° |
| C4 | C3 | C2 | C17 | 0.6° | 0.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C4 | C5 | C6 | C16 | 176.9° | 179.9° |
| C4 | C5 | C6 | C7 | 97.7° | 180.0° |
| C4 | C5 | C6 | C11 | 144.6° | 60.0° |
| C4 | C5 | C16 | C17 | 1.8° | 0.0° |
| C4 | C5 | C16 | H24 | 178.2° | 180.0° |
| C5 | C4 | C3 | H30 | 178.9° | 179.9° |
| C3 | C2 | N1 | C17 | 179.9° | 180.0° |
| C3 | C2 | N1 | C1 | 130.9° | 33.3° |
| C3 | C2 | C17 | C16 | 0.8° | 0.0° |
| C3 | C2 | N1 | H1 | 49.1° | 146.9° |
| C2 | C3 | C4 | H2 | 179.0° | 179.7° |
| C3 | C2 | C17 | H12 | 179.1° | 180.0° |
| C13 | C12 | C11 | C6 | 60.2° | 60.0° |
| C13 | C12 | C9 | C8 | 59.4° | 60.0° |
| C13 | C12 | C11 | C9 | 120.1° | 120.0° |
| C13 | C12 | C11 | H22 | 119.9° | 120.0° |
| C13 | C12 | C9 | H22 | 120.4° | 120.1° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | C11 | H20 | 179.5° | 180.0° |
| C13 | C12 | C11 | H21 | 60.0° | 60.1° |
| C12 | C13 | C14 | H23 | 179.6° | 180.0° |
| C13 | C12 | C9 | H31 | 60.6° | 60.0° |
| C13 | C12 | C9 | H32 | 179.5° | 180.0° |
| C5 | C6 | C7 | C11 | 118.5° | 119.9° |
| C5 | C6 | C7 | C8 | 176.7° | 180.0° |
| C5 | C6 | C11 | C12 | 176.3° | 180.0° |
| C6 | C5 | C16 | C17 | 179.0° | 180.0° |
| C6 | C5 | C4 | H2 | 1.6° | 0.3° |
| C5 | C6 | C7 | H3 | 63.1° | 60.0° |
| C5 | C6 | C7 | H4 | 56.4° | 60.0° |
| C5 | C6 | C15 | H10 | 59.6° | 60.0° |
| C5 | C6 | C15 | H11 | 60.3° | 60.0° |
| C5 | C6 | C11 | H20 | 56.1° | 60.0° |
| C5 | C6 | C11 | H21 | 63.5° | 60.0° |
| C6 | C5 | C16 | H24 | 1.0° | 0.1° |
| C7 | C6 | C5 | C16 | 79.2° | 0.1° |
| C6 | C7 | C8 | H3 | 120.2° | 120.0° |
| C6 | C7 | C8 | H4 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 60.0° | 60.0° |
| C7 | C6 | C11 | C12 | 58.1° | 60.0° |
| C6 | C7 | H3 | H4 | 119.3° | 120.1° |
| C6 | C7 | C8 | H5 | 179.7° | 180.0° |
| C7 | C6 | C15 | H10 | 61.9° | 180.0° |
| C7 | C6 | C15 | H11 | 178.3° | 59.9° |
| C7 | C6 | C11 | H20 | 62.1° | 60.0° |
| C7 | C6 | C11 | H21 | 178.3° | 179.9° |
| C11 | C6 | C5 | C16 | 38.5° | 120.0° |
| C11 | C6 | C7 | C8 | 58.1° | 60.0° |
| C6 | C11 | C12 | H20 | 120.2° | 120.0° |
| C6 | C11 | C12 | H21 | 120.2° | 120.0° |
| C6 | C11 | C12 | C9 | 59.9° | 60.0° |
| C11 | C6 | C7 | H3 | 178.4° | 180.0° |
| C11 | C6 | C7 | H4 | 62.1° | 59.9° |
| C11 | C6 | C15 | H10 | 178.8° | 59.9° |
| C11 | C6 | C15 | H11 | 61.4° | 180.0° |
| C6 | C11 | H20 | H21 | 119.3° | 120.0° |
| C6 | C11 | C12 | H22 | 179.9° | 180.0° |
| C5 | C16 | C17 | C2 | 1.5° | 0.0° |
| C5 | C16 | C17 | H24 | 180.0° | 179.9° |
| C16 | C5 | C4 | H2 | 178.4° | 179.7° |
| C5 | C16 | C17 | H12 | 178.5° | 180.0° |
| C7 | C8 | C9 | H5 | 120.2° | 120.0° |
| C7 | C8 | C9 | C12 | 60.2° | 60.0° |
| C8 | C7 | H3 | H4 | 119.3° | 119.9° |
| C7 | C8 | C10 | H6 | 179.9° | 60.0° |
| C7 | C8 | C10 | H7 | 60.1° | 179.9° |
| C7 | C8 | C9 | H31 | 179.8° | 180.0° |
| C7 | C8 | C9 | H32 | 59.8° | 60.0° |
| C8 | C9 | C12 | C11 | 60.2° | 60.0° |
| C8 | C9 | C12 | H31 | 120.0° | 120.0° |
| C8 | C9 | C12 | H32 | 120.0° | 120.1° |
| C9 | C8 | C7 | H3 | 179.8° | 180.0° |
| C9 | C8 | C7 | H4 | 60.2° | 60.0° |
| C9 | C8 | C10 | H6 | 60.3° | 179.9° |
| C9 | C8 | C10 | H7 | 179.8° | 60.0° |
| C8 | C9 | C12 | H22 | 179.8° | 180.0° |
| C8 | C9 | H31 | H32 | 119.9° | 120.0° |
| C2 | N1 | C1 | H1 | 180.0° | 179.8° |
| N1 | C2 | C17 | C16 | 179.2° | 180.0° |
| C2 | N1 | C1 | O1 | 15.4° | 5.1° |
| C2 | N1 | C1 | N2 | 167.5° | 174.9° |
| N1 | C2 | C17 | H12 | 0.8° | 0.0° |
| N1 | C2 | C3 | H30 | 0.6° | 0.1° |
| C17 | C2 | N1 | C1 | 49.2° | 146.7° |
| C2 | C17 | C16 | H12 | 180.0° | 180.0° |
| C17 | C2 | N1 | H1 | 130.8° | 33.1° |
| C2 | C17 | C16 | H24 | 178.5° | 180.0° |
| C17 | C2 | C3 | H30 | 179.3° | 180.0° |
| N1 | C1 | O1 | N2 | 176.9° | 180.0° |
| N1 | C1 | N2 | C18 | 179.7° | 180.0° |
| N1 | C1 | N2 | H33 | 0.3° | 0.1° |
| C11 | C12 | C9 | H22 | 120.0° | 120.0° |
| C11 | C12 | C13 | H8 | 60.1° | 180.0° |
| C11 | C12 | C13 | H9 | 179.9° | 60.0° |
| C12 | C11 | H20 | H21 | 119.3° | 120.0° |
| C11 | C12 | C9 | H31 | 179.8° | 180.0° |
| C11 | C12 | C9 | H32 | 59.9° | 60.1° |
| C12 | C9 | C8 | H5 | 179.6° | 179.9° |
| C9 | C12 | C13 | H8 | 179.9° | 60.0° |
| C9 | C12 | C13 | H9 | 60.1° | 180.0° |
| C9 | C12 | C11 | H20 | 60.4° | 60.0° |
| C9 | C12 | C11 | H21 | 179.9° | 180.0° |
| C12 | C9 | H31 | H32 | 119.9° | 120.0° |
| O1 | C1 | N2 | C18 | 2.6° | 0.0° |
| O1 | C1 | N1 | H1 | 164.6° | 174.7° |
| O1 | C1 | N2 | H33 | 177.5° | 179.9° |
| C1 | N2 | C18 | H33 | 180.0° | 179.9° |
| C1 | N2 | C18 | C24 | 168.2° | 155.0° |
| C1 | N2 | C18 | C19 | 67.3° | 84.7° |
| N2 | C1 | N1 | H1 | 12.6° | 5.3° |
| C1 | N2 | C18 | H25 | 50.0° | 35.0° |
| N2 | C18 | C24 | C19 | 124.6° | 120.3° |
| N2 | C18 | C24 | H25 | 118.6° | 120.0° |
| N2 | C18 | C19 | H25 | 117.8° | 119.9° |
| N2 | C18 | C24 | C23 | 179.9° | 178.6° |
| N2 | C18 | C19 | C20 | 177.5° | 178.7° |
| N2 | C18 | C24 | H18 | 60.0° | 58.7° |
| N2 | C18 | C24 | H19 | 59.8° | 61.4° |
| N2 | C18 | C19 | H26 | 62.5° | 58.7° |
| N2 | C18 | C19 | H27 | 57.5° | 61.4° |
| C24 | C18 | C19 | H25 | 116.8° | 119.9° |
| C18 | C24 | C23 | H18 | 120.1° | 120.0° |
| C18 | C24 | C23 | H19 | 120.1° | 119.9° |
| C24 | C18 | C19 | C20 | 57.1° | 61.1° |
| C18 | C24 | C23 | N3 | 54.4° | 54.6° |
| C18 | C24 | H18 | H19 | 119.7° | 120.1° |
| C24 | C18 | C19 | H26 | 62.9° | 178.9° |
| C24 | C18 | C19 | H27 | 177.2° | 58.8° |
| C18 | C24 | C23 | H28 | 65.7° | 174.5° |
| C18 | C24 | C23 | H29 | 174.5° | 65.2° |
| C24 | C18 | N2 | H33 | 11.8° | 24.9° |
| C19 | C18 | C24 | C23 | 55.3° | 61.1° |
| C18 | C19 | C20 | H26 | 120.0° | 120.0° |
| C18 | C19 | C20 | H27 | 120.1° | 119.9° |
| C18 | C19 | C20 | N3 | 57.5° | 54.6° |
| C18 | C19 | C20 | H13 | 177.4° | 65.2° |
| C18 | C19 | C20 | H14 | 62.4° | 174.5° |
| C19 | C18 | C24 | H18 | 175.4° | 179.0° |
| C19 | C18 | C24 | H19 | 64.8° | 58.8° |
| C18 | C19 | H26 | H27 | 119.9° | 120.0° |
| C19 | C18 | N2 | H33 | 112.7° | 95.4° |
| C24 | C23 | N3 | H28 | 120.1° | 119.8° |
| C24 | C23 | N3 | H29 | 120.1° | 119.7° |
| C24 | C23 | N3 | C20 | 58.5° | 53.9° |
| C24 | C23 | N3 | C21 | 118.8° | 126.5° |
| C23 | C24 | H18 | H19 | 119.7° | 120.1° |
| C23 | C24 | C18 | H25 | 61.5° | 58.6° |
| C24 | C23 | H28 | H29 | 119.8° | 120.3° |
| C19 | C20 | N3 | C23 | 59.8° | 53.9° |
| C19 | C20 | N3 | H13 | 119.9° | 119.7° |
| C19 | C20 | N3 | H14 | 119.9° | 119.9° |
| C19 | C20 | N3 | C21 | 117.6° | 126.5° |
| C19 | C20 | H13 | H14 | 120.3° | 120.4° |
| C20 | C19 | C18 | H25 | 59.7° | 58.8° |
| C20 | C19 | H26 | H27 | 119.9° | 120.1° |
| C23 | N3 | C20 | C21 | 177.4° | 179.6° |
| C23 | N3 | C21 | C22 | 5.2° | 0.4° |
| C23 | N3 | C21 | O2 | 176.4° | 179.7° |
| C23 | N3 | C20 | H13 | 179.7° | 65.8° |
| C23 | N3 | C20 | H14 | 60.1° | 173.8° |
| N3 | C23 | C24 | H18 | 174.5° | 174.6° |
| N3 | C23 | C24 | H19 | 65.7° | 65.3° |
| N3 | C23 | H28 | H29 | 119.8° | 120.4° |
| C20 | N3 | C21 | C22 | 171.9° | 180.0° |
| C20 | N3 | C21 | O2 | 6.4° | 0.1° |
| N3 | C20 | H13 | H14 | 120.3° | 120.3° |
| N3 | C20 | C19 | H26 | 62.5° | 174.6° |
| N3 | C20 | C19 | H27 | 177.6° | 65.3° |
| C20 | N3 | C23 | H28 | 61.6° | 173.7° |
| C20 | N3 | C23 | H29 | 178.6° | 65.8° |
| N3 | C21 | C22 | O2 | 178.4° | 179.9° |
| C21 | N3 | C20 | H13 | 2.3° | 113.8° |
| C21 | N3 | C20 | H14 | 122.5° | 6.6° |
| N3 | C21 | C22 | H15 | 178.4° | 90.0° |
| N3 | C21 | C22 | H16 | 61.6° | 150.0° |
| N3 | C21 | C22 | H17 | 58.4° | 30.1° |
| C21 | N3 | C23 | H28 | 121.1° | 6.7° |
| C21 | N3 | C23 | H29 | 1.3° | 113.8° |
| C21 | C22 | H15 | H16 | 120.0° | 120.0° |
| C21 | C22 | H15 | H17 | 120.0° | 120.0° |
| C21 | C22 | H16 | H17 | 120.0° | 120.0° |
| O2 | C21 | C22 | H15 | 0.0° | 89.9° |
| O2 | C21 | C22 | H16 | 120.0° | 30.1° |
| O2 | C21 | C22 | H17 | 120.0° | 150.1° |
| H2 | C4 | C3 | H30 | 1.1° | 0.3° |
| H3 | C7 | C8 | H5 | 59.5° | 59.9° |
| H4 | C7 | C8 | H5 | 60.1° | 60.0° |
| H5 | C8 | C10 | H6 | 60.2° | 60.1° |
| H5 | C8 | C10 | H7 | 59.8° | 60.0° |
| H5 | C8 | C9 | H31 | 59.6° | 60.0° |
| H5 | C8 | C9 | H32 | 60.4° | 60.0° |
| H6 | C10 | C14 | H23 | 59.7° | 60.1° |
| H7 | C10 | C14 | H23 | 60.2° | 60.0° |
| H8 | C13 | C12 | H22 | 59.7° | 60.0° |
| H8 | C13 | C14 | H23 | 60.4° | 59.9° |
| H9 | C13 | C12 | H22 | 60.3° | 60.0° |
| H9 | C13 | C14 | H23 | 59.7° | 60.0° |
| H10 | C15 | C14 | H23 | 59.6° | 60.1° |
| H11 | C15 | C14 | H23 | 60.2° | 60.0° |
| H12 | C17 | C16 | H24 | 1.5° | 0.0° |
| H13 | C20 | C19 | H26 | 57.4° | 54.8° |
| H13 | C20 | C19 | H27 | 62.5° | 174.9° |
| H14 | C20 | C19 | H26 | 177.6° | 65.5° |
| H14 | C20 | C19 | H27 | 57.7° | 54.5° |
| H15 | C22 | H16 | H17 | 120.0° | 120.0° |
| H18 | C24 | C18 | H25 | 58.6° | 61.3° |
| H18 | C24 | C23 | H28 | 54.4° | 65.5° |
| H18 | C24 | C23 | H29 | 65.4° | 54.9° |
| H19 | C24 | C18 | H25 | 178.4° | 178.6° |
| H19 | C24 | C23 | H28 | 174.2° | 54.6° |
| H19 | C24 | C23 | H29 | 54.4° | 174.9° |
| H20 | C11 | C12 | H22 | 59.7° | 60.0° |
| H21 | C11 | C12 | H22 | 59.9° | 60.0° |
| H22 | C12 | C9 | H31 | 59.8° | 60.0° |
| H22 | C12 | C9 | H32 | 60.1° | 59.9° |
| H25 | C18 | C19 | H26 | 179.8° | 61.2° |
| H25 | C18 | C19 | H27 | 60.3° | 178.8° |
| H25 | C18 | N2 | H33 | 130.0° | 144.9° |
