WGI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C2 | sing | 1.52Å | 1.53Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C3 | N1 | sing | 1.48Å | 1.48Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C5 | sing | 1.54Å | 1.55Å | |
| C2 | C21 | sing | 1.52Å | 1.53Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| O1 | C14 | sing | 1.45Å | 1.46Å | |
| O1 | C1 | sing | 1.35Å | 1.35Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| O3 | C6 | doub | 1.21Å | 1.24Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| N1 | C1 | sing | 1.35Å | 1.36Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C1 | O2 | doub | 1.22Å | 1.22Å | |
| C6 | C4 | sing | 1.51Å | 1.53Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| C8 | C7 | sing | 1.54Å | 1.52Å | |
| C8 | C10 | sing | 1.55Å | 1.52Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| N2 | C12 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| O6 | C13 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| N3 | C9 | sing | 1.34Å | 1.33Å | |
| C9 | O5 | doub | 1.21Å | 1.24Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| N2 | H34 | sing | 0.97Å | 1.00Å | |
| O6 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 119.5° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C19 | C18 | H26 | 119.9° | 120.0° |
| C18 | C19 | H27 | 120.2° | 120.0° |
| C19 | C20 | C15 | 121.1° | 120.0° |
| C19 | C20 | H13 | 119.4° | 120.0° |
| C20 | C19 | H27 | 120.3° | 120.0° |
| C24 | C25 | C2 | 111.9° | 109.6° |
| C25 | C24 | C23 | 112.8° | 109.4° |
| C25 | C24 | H18 | 108.6° | 109.5° |
| C25 | C24 | H19 | 108.7° | 109.5° |
| C24 | C25 | H30 | 108.9° | 109.4° |
| C24 | C25 | H31 | 108.8° | 109.4° |
| C25 | C2 | C3 | 113.0° | 110.6° |
| C25 | C2 | C5 | 109.0° | 110.5° |
| C25 | C2 | C21 | 112.1° | 111.5° |
| C2 | C25 | H30 | 108.8° | 109.4° |
| C2 | C25 | H31 | 108.9° | 109.5° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H12 | 120.0° | 120.0° |
| C17 | C18 | H26 | 119.9° | 120.0° |
| C20 | C15 | C16 | 118.6° | 120.0° |
| C20 | C15 | C14 | 121.9° | 120.0° |
| C15 | C20 | H13 | 119.4° | 120.0° |
| C24 | C23 | C22 | 114.3° | 109.6° |
| C23 | C24 | H18 | 108.6° | 109.5° |
| C23 | C24 | H19 | 108.6° | 109.5° |
| C24 | C23 | H28 | 108.2° | 109.4° |
| C24 | C23 | H29 | 108.2° | 109.5° |
| C2 | C3 | N1 | 101.0° | 104.7° |
| C3 | C2 | C5 | 102.0° | 102.4° |
| C3 | C2 | C21 | 109.6° | 110.9° |
| C2 | C3 | H32 | 111.5° | 110.3° |
| C2 | C3 | H33 | 111.6° | 110.4° |
| C3 | N1 | C1 | 123.5° | 125.6° |
| C3 | N1 | C4 | 113.2° | 108.7° |
| N1 | C3 | H32 | 111.6° | 110.2° |
| N1 | C3 | H33 | 111.5° | 110.7° |
| C17 | C16 | C15 | 120.5° | 120.0° |
| C16 | C17 | H12 | 120.0° | 119.9° |
| C17 | C16 | H25 | 119.8° | 120.1° |
| C5 | C2 | C21 | 110.7° | 110.5° |
| C2 | C5 | C4 | 103.2° | 102.9° |
| C2 | C5 | H3 | 111.0° | 110.7° |
| C2 | C5 | H4 | 111.0° | 110.9° |
| C2 | C21 | C22 | 115.3° | 109.6° |
| C2 | C21 | H14 | 108.0° | 109.5° |
| C2 | C21 | H15 | 108.0° | 109.5° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C15 | C16 | H25 | 119.8° | 120.0° |
| C15 | C14 | O1 | 112.2° | 109.5° |
| C15 | C14 | H23 | 108.8° | 109.4° |
| C15 | C14 | H24 | 108.8° | 109.5° |
| C14 | O1 | C1 | 114.8° | 117.0° |
| O1 | C14 | H23 | 108.8° | 109.5° |
| O1 | C14 | H24 | 108.8° | 109.5° |
| O1 | C1 | N1 | 113.7° | 120.0° |
| O1 | C1 | O2 | 124.2° | 120.0° |
| C23 | C22 | C21 | 113.5° | 109.3° |
| C23 | C22 | H16 | 108.5° | 109.5° |
| C23 | C22 | H17 | 108.5° | 109.6° |
| C22 | C23 | H28 | 108.3° | 109.4° |
| C22 | C23 | H29 | 108.3° | 109.5° |
| O3 | C6 | C4 | 120.1° | 120.0° |
| O3 | C6 | N2 | 122.7° | 120.0° |
| C5 | C4 | N1 | 103.0° | 107.3° |
| C5 | C4 | C6 | 109.8° | 110.0° |
| C5 | C4 | H2 | 111.4° | 109.9° |
| C4 | C5 | H3 | 111.0° | 110.7° |
| C4 | C5 | H4 | 111.0° | 110.7° |
| C1 | N1 | C4 | 123.2° | 125.7° |
| N1 | C1 | O2 | 122.1° | 120.0° |
| N1 | C4 | C6 | 108.2° | 109.9° |
| N1 | C4 | H2 | 112.6° | 109.8° |
| C22 | C21 | H14 | 108.0° | 109.5° |
| C22 | C21 | H15 | 108.0° | 109.4° |
| C21 | C22 | H16 | 108.5° | 109.5° |
| C21 | C22 | H17 | 108.5° | 109.5° |
| C4 | C6 | N2 | 117.2° | 120.0° |
| C6 | C4 | H2 | 111.6° | 109.9° |
| C6 | N2 | C12 | 122.6° | 120.0° |
| C6 | N2 | H34 | 118.7° | 120.0° |
| C7 | C8 | C10 | 105.1° | 101.8° |
| C8 | C7 | N3 | 102.4° | 105.5° |
| C8 | C7 | H5 | 111.2° | 110.2° |
| C8 | C7 | H6 | 111.2° | 110.3° |
| C7 | C8 | H7 | 110.6° | 111.0° |
| C7 | C8 | H8 | 110.6° | 111.0° |
| C8 | C10 | C11 | 116.6° | 110.5° |
| C8 | C10 | C9 | 102.4° | 104.2° |
| C10 | C8 | H7 | 110.6° | 110.9° |
| C10 | C8 | H8 | 110.6° | 111.0° |
| C8 | C10 | H9 | 108.2° | 110.5° |
| C7 | N3 | C9 | 113.8° | 111.3° |
| C7 | N3 | H1 | 123.1° | 124.3° |
| N3 | C7 | H5 | 111.2° | 110.2° |
| N3 | C7 | H6 | 111.2° | 110.3° |
| N2 | C12 | C13 | 108.5° | 109.4° |
| N2 | C12 | C11 | 111.1° | 109.5° |
| N2 | C12 | H22 | 109.0° | 109.5° |
| C12 | N2 | H34 | 118.7° | 120.0° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C12 | C13 | O6 | 111.9° | 109.5° |
| C12 | C13 | H10 | 108.8° | 109.5° |
| C12 | C13 | H11 | 108.9° | 109.4° |
| C13 | C12 | H22 | 108.3° | 109.4° |
| C12 | C11 | C10 | 112.9° | 109.5° |
| C12 | C11 | H20 | 108.6° | 109.4° |
| C12 | C11 | H21 | 108.6° | 109.5° |
| C11 | C12 | H22 | 108.1° | 109.5° |
| O6 | C13 | H10 | 108.9° | 109.5° |
| O6 | C13 | H11 | 108.9° | 109.4° |
| C13 | O6 | H35 | 109.5° | 114.0° |
| C11 | C10 | C9 | 112.8° | 110.5° |
| C11 | C10 | H9 | 108.1° | 110.5° |
| C10 | C11 | H20 | 108.6° | 109.5° |
| C10 | C11 | H21 | 108.6° | 109.5° |
| C10 | C9 | N3 | 109.1° | 110.1° |
| C10 | C9 | O5 | 125.4° | 124.9° |
| C9 | C10 | H9 | 108.3° | 110.6° |
| N3 | C9 | O5 | 125.5° | 124.9° |
| C9 | N3 | H1 | 123.1° | 124.4° |
| H3 | C5 | H4 | 109.5° | 110.7° |
| H5 | C7 | H6 | 109.5° | 110.2° |
| H7 | C8 | H8 | 109.5° | 110.9° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.4° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H27 | 180.0° | 179.9° |
| C19 | C18 | C17 | H26 | 180.0° | 179.5° |
| C18 | C19 | C20 | C15 | 0.8° | 0.1° |
| C19 | C18 | C17 | C16 | 0.4° | 0.5° |
| C19 | C18 | C17 | H12 | 179.6° | 180.0° |
| C18 | C19 | C20 | H13 | 179.2° | 180.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.2° |
| C19 | C20 | C15 | H13 | 180.0° | 179.9° |
| C19 | C20 | C15 | C16 | 0.8° | 0.1° |
| C19 | C20 | C15 | C14 | 179.1° | 179.7° |
| C20 | C19 | C18 | H26 | 179.4° | 179.7° |
| C24 | C25 | C2 | H30 | 120.4° | 120.0° |
| C24 | C25 | C2 | H31 | 120.4° | 120.0° |
| C25 | C24 | C23 | H18 | 120.5° | 120.0° |
| C25 | C24 | C23 | H19 | 120.5° | 120.0° |
| C24 | C25 | C2 | C3 | 177.1° | 178.1° |
| C24 | C25 | C2 | C5 | 70.3° | 65.4° |
| C24 | C25 | C2 | C21 | 52.6° | 58.0° |
| C25 | C24 | C23 | C22 | 50.0° | 60.7° |
| C25 | C24 | H18 | H19 | 118.5° | 120.1° |
| C25 | C24 | C23 | H28 | 70.7° | 179.3° |
| C25 | C24 | C23 | H29 | 170.7° | 59.4° |
| C24 | C25 | H30 | H31 | 118.9° | 119.9° |
| C2 | C25 | C24 | C23 | 53.9° | 58.7° |
| C25 | C2 | C3 | C5 | 116.9° | 117.8° |
| C25 | C2 | C3 | C21 | 125.8° | 124.3° |
| C25 | C2 | C3 | N1 | 155.3° | 154.2° |
| C25 | C2 | C5 | C21 | 123.7° | 124.0° |
| C25 | C2 | C5 | C4 | 160.4° | 152.7° |
| C25 | C2 | C21 | C22 | 48.3° | 57.9° |
| C25 | C2 | C5 | H3 | 80.6° | 34.4° |
| C25 | C2 | C5 | H4 | 41.4° | 88.9° |
| C25 | C2 | C21 | H14 | 169.1° | 62.1° |
| C25 | C2 | C21 | H15 | 72.6° | 177.9° |
| C2 | C25 | C24 | H18 | 174.4° | 61.3° |
| C2 | C25 | C24 | H19 | 66.6° | 178.6° |
| C2 | C25 | H30 | H31 | 118.9° | 120.0° |
| C25 | C2 | C3 | H32 | 36.6° | 87.3° |
| C25 | C2 | C3 | H33 | 86.1° | 35.0° |
| C18 | C17 | C16 | H12 | 180.0° | 179.5° |
| C18 | C17 | C16 | C15 | 0.4° | 0.5° |
| C18 | C17 | C16 | H25 | 179.5° | 179.4° |
| C17 | C18 | C19 | H27 | 179.5° | 180.0° |
| C20 | C15 | C16 | C17 | 0.6° | 0.2° |
| C20 | C15 | C16 | C14 | 179.9° | 179.8° |
| C20 | C15 | C14 | O1 | 12.3° | 90.2° |
| C20 | C15 | C14 | H23 | 132.7° | 29.8° |
| C20 | C15 | C14 | H24 | 108.1° | 149.7° |
| C20 | C15 | C16 | H25 | 179.3° | 179.8° |
| C15 | C20 | C19 | H27 | 179.2° | 179.7° |
| C24 | C23 | C22 | H28 | 120.7° | 120.0° |
| C24 | C23 | C22 | H29 | 120.7° | 120.1° |
| C24 | C23 | C22 | C21 | 44.4° | 60.6° |
| C24 | C23 | C22 | H16 | 165.1° | 59.3° |
| C24 | C23 | C22 | H17 | 76.2° | 179.4° |
| C23 | C24 | H18 | H19 | 118.5° | 120.0° |
| C24 | C23 | H28 | H29 | 117.8° | 119.9° |
| C23 | C24 | C25 | H30 | 174.3° | 178.7° |
| C23 | C24 | C25 | H31 | 66.4° | 61.4° |
| C2 | C3 | N1 | H32 | 118.6° | 118.6° |
| C2 | C3 | N1 | H33 | 118.6° | 118.9° |
| C3 | C2 | C5 | C21 | 116.6° | 118.2° |
| C3 | C2 | C5 | C4 | 40.7° | 34.8° |
| C2 | C3 | N1 | C1 | 159.1° | 156.6° |
| C2 | C3 | N1 | C4 | 23.6° | 23.7° |
| C3 | C2 | C21 | C22 | 174.6° | 178.3° |
| C3 | C2 | C5 | H3 | 159.7° | 83.5° |
| C3 | C2 | C5 | H4 | 78.3° | 153.2° |
| C3 | C2 | C21 | H14 | 64.6° | 61.7° |
| C3 | C2 | C21 | H15 | 53.7° | 58.3° |
| C3 | C2 | C25 | H30 | 62.5° | 58.1° |
| C3 | C2 | C25 | H31 | 56.7° | 61.9° |
| C2 | C3 | H32 | H33 | 123.9° | 122.3° |
| N1 | C3 | C2 | C5 | 38.4° | 36.4° |
| N1 | C3 | C2 | C21 | 78.9° | 81.5° |
| C3 | N1 | C1 | O1 | 4.5° | 0.3° |
| C3 | N1 | C4 | C5 | 1.8° | 1.3° |
| C3 | N1 | C1 | C4 | 177.1° | 179.7° |
| C3 | N1 | C1 | O2 | 177.6° | 179.7° |
| C3 | N1 | C4 | C6 | 117.9° | 118.4° |
| C3 | N1 | C4 | H2 | 118.3° | 120.7° |
| N1 | C3 | H32 | H33 | 123.9° | 122.6° |
| C17 | C16 | C15 | H25 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 179.2° | 180.0° |
| C16 | C17 | C18 | H26 | 179.6° | 180.0° |
| C2 | C5 | C4 | H3 | 119.0° | 118.3° |
| C2 | C5 | C4 | H4 | 119.0° | 118.6° |
| C2 | C5 | C4 | N1 | 26.2° | 21.5° |
| C5 | C2 | C21 | C22 | 73.7° | 65.5° |
| C2 | C5 | C4 | C6 | 141.3° | 141.0° |
| C2 | C5 | C4 | H2 | 94.7° | 97.9° |
| C2 | C5 | H3 | H4 | 122.9° | 123.4° |
| C5 | C2 | C21 | H14 | 47.1° | 174.5° |
| C5 | C2 | C21 | H15 | 165.5° | 54.5° |
| C5 | C2 | C25 | H30 | 50.1° | 54.6° |
| C5 | C2 | C25 | H31 | 169.3° | 174.5° |
| C5 | C2 | C3 | H32 | 80.3° | 154.9° |
| C5 | C2 | C3 | H33 | 157.0° | 82.8° |
| C2 | C21 | C22 | C23 | 44.0° | 58.6° |
| C21 | C2 | C5 | C4 | 75.8° | 83.4° |
| C2 | C21 | C22 | H14 | 120.8° | 120.0° |
| C2 | C21 | C22 | H15 | 120.9° | 120.0° |
| C21 | C2 | C5 | H3 | 43.1° | 158.3° |
| C21 | C2 | C5 | H4 | 165.2° | 35.1° |
| C2 | C21 | H14 | H15 | 117.4° | 120.0° |
| C2 | C21 | C22 | H16 | 164.6° | 61.4° |
| C2 | C21 | C22 | H17 | 76.6° | 178.6° |
| C21 | C2 | C25 | H30 | 173.0° | 178.0° |
| C21 | C2 | C25 | H31 | 67.8° | 62.1° |
| C21 | C2 | C3 | H32 | 162.4° | 37.0° |
| C21 | C2 | C3 | H33 | 39.7° | 159.3° |
| C16 | C15 | C14 | O1 | 167.9° | 90.0° |
| C15 | C16 | C17 | H12 | 179.5° | 180.0° |
| C16 | C15 | C20 | H13 | 179.2° | 180.0° |
| C16 | C15 | C14 | H23 | 47.4° | 150.0° |
| C16 | C15 | C14 | H24 | 71.7° | 30.0° |
| C15 | C14 | O1 | H23 | 120.4° | 120.0° |
| C15 | C14 | O1 | H24 | 120.4° | 120.0° |
| C15 | C14 | O1 | C1 | 82.6° | 180.0° |
| C14 | C15 | C20 | H13 | 1.0° | 0.2° |
| C15 | C14 | H23 | H24 | 118.7° | 120.0° |
| C14 | C15 | C16 | H25 | 0.8° | 0.0° |
| C14 | O1 | C1 | N1 | 178.1° | 180.0° |
| C14 | O1 | C1 | O2 | 0.3° | 0.0° |
| O1 | C14 | H23 | H24 | 118.8° | 120.0° |
| O1 | C1 | N1 | O2 | 177.9° | 180.0° |
| O1 | C1 | N1 | C4 | 172.6° | 180.0° |
| C1 | O1 | C14 | H23 | 37.8° | 60.0° |
| C1 | O1 | C14 | H24 | 157.0° | 60.0° |
| C23 | C22 | C21 | H16 | 120.6° | 120.0° |
| C23 | C22 | C21 | H17 | 120.6° | 120.0° |
| C23 | C22 | C21 | H14 | 164.8° | 61.4° |
| C23 | C22 | C21 | H15 | 76.9° | 178.7° |
| C23 | C22 | H16 | H17 | 118.2° | 120.1° |
| C22 | C23 | C24 | H18 | 170.5° | 59.3° |
| C22 | C23 | C24 | H19 | 70.5° | 179.4° |
| C22 | C23 | H28 | H29 | 117.9° | 119.9° |
| O3 | C6 | C4 | C5 | 73.7° | 99.4° |
| O3 | C6 | C4 | N1 | 38.0° | 18.6° |
| O3 | C6 | C4 | N2 | 180.0° | 180.0° |
| O3 | C6 | N2 | C12 | 0.8° | 0.0° |
| O3 | C6 | C4 | H2 | 162.4° | 139.5° |
| O3 | C6 | N2 | H34 | 179.2° | 180.0° |
| C5 | C4 | N1 | C1 | 175.6° | 179.0° |
| C5 | C4 | N1 | C6 | 116.2° | 119.6° |
| C5 | C4 | N1 | H2 | 120.1° | 119.4° |
| C5 | C4 | C6 | H2 | 123.9° | 121.1° |
| C5 | C4 | C6 | N2 | 106.3° | 80.6° |
| C4 | C5 | H3 | H4 | 122.9° | 123.2° |
| C1 | N1 | C4 | C6 | 59.5° | 61.3° |
| C1 | N1 | C4 | H2 | 64.3° | 59.6° |
| C1 | N1 | C3 | H32 | 82.3° | 38.0° |
| C1 | N1 | C3 | H33 | 40.4° | 84.5° |
| C4 | N1 | C1 | O2 | 5.3° | 0.0° |
| N1 | C4 | C6 | H2 | 124.4° | 120.9° |
| N1 | C4 | C6 | N2 | 142.0° | 161.4° |
| N1 | C4 | C5 | H3 | 145.3° | 96.8° |
| N1 | C4 | C5 | H4 | 92.8° | 140.0° |
| C4 | N1 | C3 | H32 | 95.1° | 142.3° |
| C4 | N1 | C3 | H33 | 142.2° | 95.2° |
| C22 | C21 | H14 | H15 | 117.3° | 119.9° |
| C21 | C22 | H16 | H17 | 118.2° | 120.0° |
| C21 | C22 | C23 | H28 | 76.3° | 179.4° |
| C21 | C22 | C23 | H29 | 165.1° | 59.5° |
| C4 | C6 | N2 | C12 | 179.2° | 180.0° |
| C6 | C4 | C5 | H3 | 99.7° | 22.7° |
| C6 | C4 | C5 | H4 | 22.3° | 100.5° |
| C4 | C6 | N2 | H34 | 0.8° | 0.0° |
| C6 | N2 | C12 | H34 | 180.0° | 180.0° |
| C6 | N2 | C12 | C13 | 124.5° | 86.2° |
| C6 | N2 | C12 | C11 | 112.2° | 153.8° |
| N2 | C6 | C4 | H2 | 17.6° | 40.5° |
| C6 | N2 | C12 | H22 | 6.8° | 33.8° |
| C7 | C8 | C10 | H7 | 119.3° | 118.1° |
| C7 | C8 | C10 | H8 | 119.3° | 118.1° |
| C8 | C7 | N3 | H5 | 118.8° | 119.0° |
| C8 | C7 | N3 | H6 | 118.9° | 119.1° |
| C7 | C8 | C10 | C11 | 149.2° | 143.5° |
| C7 | C8 | C10 | C9 | 25.5° | 24.8° |
| C8 | C7 | N3 | C9 | 16.3° | 17.0° |
| C8 | C7 | N3 | H1 | 163.7° | 162.7° |
| C8 | C7 | H5 | H6 | 123.3° | 122.0° |
| C7 | C8 | H7 | H8 | 122.0° | 123.8° |
| C7 | C8 | C10 | H9 | 88.7° | 94.0° |
| C10 | C8 | C7 | N3 | 25.5° | 25.4° |
| C8 | C10 | C11 | C12 | 71.2° | 65.0° |
| C8 | C10 | C11 | C9 | 118.2° | 114.7° |
| C8 | C10 | C11 | H9 | 122.1° | 122.5° |
| C8 | C10 | C9 | H9 | 114.2° | 118.7° |
| C8 | C10 | C9 | N3 | 16.4° | 16.3° |
| C8 | C10 | C9 | O5 | 164.3° | 163.4° |
| C10 | C8 | C7 | H5 | 144.3° | 93.6° |
| C10 | C8 | C7 | H6 | 93.4° | 144.5° |
| C10 | C8 | H7 | H8 | 122.0° | 123.8° |
| C8 | C10 | C11 | H20 | 168.3° | 55.0° |
| C8 | C10 | C11 | H21 | 49.3° | 175.0° |
| C7 | N3 | C9 | C10 | 0.0° | 0.4° |
| C7 | N3 | C9 | H1 | 180.0° | 179.7° |
| C7 | N3 | C9 | O5 | 179.3° | 179.9° |
| N3 | C7 | H5 | H6 | 123.3° | 121.9° |
| N3 | C7 | C8 | H7 | 144.8° | 143.5° |
| N3 | C7 | C8 | H8 | 93.8° | 92.7° |
| N2 | C12 | C13 | C11 | 122.8° | 120.0° |
| N2 | C12 | C13 | H22 | 118.2° | 120.0° |
| N2 | C12 | C11 | H22 | 119.5° | 120.0° |
| N2 | C12 | C13 | O6 | 173.1° | 65.1° |
| N2 | C12 | C11 | C10 | 66.1° | 64.9° |
| N2 | C12 | C13 | H10 | 66.5° | 55.0° |
| N2 | C12 | C13 | H11 | 52.7° | 175.0° |
| N2 | C12 | C11 | H20 | 54.4° | 175.1° |
| N2 | C12 | C11 | H21 | 173.4° | 55.1° |
| C13 | C12 | C11 | H22 | 119.1° | 120.0° |
| C12 | C13 | O6 | H10 | 120.3° | 120.1° |
| C12 | C13 | O6 | H11 | 120.4° | 119.9° |
| C13 | C12 | C11 | C10 | 172.5° | 175.1° |
| C12 | C13 | H10 | H11 | 118.9° | 120.0° |
| C13 | C12 | C11 | H20 | 67.0° | 55.1° |
| C13 | C12 | C11 | H21 | 52.0° | 64.9° |
| C13 | C12 | N2 | H34 | 55.5° | 93.8° |
| C12 | C13 | O6 | H35 | 180.0° | 180.0° |
| C11 | C12 | C13 | O6 | 64.1° | 54.9° |
| C12 | C11 | C10 | H20 | 120.5° | 120.0° |
| C12 | C11 | C10 | H21 | 120.5° | 120.0° |
| C12 | C11 | C10 | C9 | 170.6° | 179.7° |
| C12 | C11 | C10 | H9 | 50.9° | 57.5° |
| C11 | C12 | C13 | H10 | 56.3° | 175.0° |
| C11 | C12 | C13 | H11 | 175.5° | 65.0° |
| C12 | C11 | H20 | H21 | 118.5° | 120.0° |
| C11 | C12 | N2 | H34 | 67.8° | 26.2° |
| O6 | C13 | H10 | H11 | 118.9° | 120.0° |
| O6 | C13 | C12 | H22 | 54.9° | 174.9° |
| C11 | C10 | C9 | H9 | 119.7° | 122.6° |
| C11 | C10 | C9 | N3 | 142.5° | 134.9° |
| C11 | C10 | C9 | O5 | 38.2° | 44.8° |
| C11 | C10 | C8 | H7 | 91.5° | 98.4° |
| C11 | C10 | C8 | H8 | 29.9° | 25.4° |
| C10 | C11 | H20 | H21 | 118.5° | 120.0° |
| C10 | C11 | C12 | H22 | 53.4° | 55.2° |
| C10 | C9 | N3 | O5 | 179.3° | 179.7° |
| C10 | C9 | N3 | H1 | 179.9° | 179.3° |
| C9 | C10 | C8 | H7 | 144.8° | 142.9° |
| C9 | C10 | C8 | H8 | 93.8° | 93.3° |
| C9 | C10 | C11 | H20 | 50.1° | 59.7° |
| C9 | C10 | C11 | H21 | 68.9° | 60.3° |
| C9 | N3 | C7 | H5 | 135.2° | 102.0° |
| C9 | N3 | C7 | H6 | 102.5° | 136.1° |
| N3 | C9 | C10 | H9 | 97.8° | 102.4° |
| O5 | C9 | N3 | H1 | 0.6° | 0.4° |
| O5 | C9 | C10 | H9 | 81.5° | 77.9° |
| H1 | N3 | C7 | H5 | 44.9° | 78.3° |
| H1 | N3 | C7 | H6 | 77.5° | 43.6° |
| H2 | C4 | C5 | H3 | 24.3° | 143.8° |
| H2 | C4 | C5 | H4 | 146.3° | 20.6° |
| H5 | C7 | C8 | H7 | 96.4° | 24.5° |
| H5 | C7 | C8 | H8 | 25.0° | 148.3° |
| H6 | C7 | C8 | H7 | 25.9° | 97.4° |
| H6 | C7 | C8 | H8 | 147.3° | 26.4° |
| H7 | C8 | C10 | H9 | 30.6° | 24.1° |
| H8 | C8 | C10 | H9 | 152.0° | 147.9° |
| H9 | C10 | C11 | H20 | 69.7° | 177.5° |
| H9 | C10 | C11 | H21 | 171.4° | 62.4° |
| H10 | C13 | C12 | H22 | 175.3° | 65.0° |
| H10 | C13 | O6 | H35 | 59.7° | 60.0° |
| H11 | C13 | C12 | H22 | 65.5° | 55.0° |
| H11 | C13 | O6 | H35 | 59.6° | 60.1° |
| H12 | C17 | C16 | H25 | 0.5° | 0.1° |
| H12 | C17 | C18 | H26 | 0.4° | 0.5° |
| H13 | C20 | C19 | H27 | 0.8° | 0.1° |
| H14 | C21 | C22 | H16 | 74.6° | 178.6° |
| H14 | C21 | C22 | H17 | 44.2° | 58.6° |
| H15 | C21 | C22 | H16 | 43.7° | 58.7° |
| H15 | C21 | C22 | H17 | 162.5° | 61.3° |
| H16 | C22 | C23 | H28 | 44.4° | 60.7° |
| H16 | C22 | C23 | H29 | 74.3° | 179.4° |
| H17 | C22 | C23 | H28 | 163.1° | 59.4° |
| H17 | C22 | C23 | H29 | 44.5° | 60.5° |
| H18 | C24 | C23 | H28 | 49.8° | 60.7° |
| H18 | C24 | C23 | H29 | 68.8° | 179.4° |
| H18 | C24 | C25 | H30 | 65.3° | 58.7° |
| H18 | C24 | C25 | H31 | 54.0° | 178.6° |
| H19 | C24 | C23 | H28 | 168.8° | 59.4° |
| H19 | C24 | C23 | H29 | 50.2° | 60.5° |
| H19 | C24 | C25 | H30 | 53.8° | 61.4° |
| H19 | C24 | C25 | H31 | 173.1° | 58.5° |
| H20 | C11 | C12 | H22 | 173.9° | 64.9° |
| H21 | C11 | C12 | H22 | 67.1° | 175.1° |
| H22 | C12 | N2 | H34 | 173.2° | 146.2° |
| H26 | C18 | C19 | H27 | 0.5° | 0.5° |
