TJE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.45Å | |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.42Å | |
| O6 | C24 | doub | 1.21Å | 1.29Å | |
| O5 | C24 | sing | 1.34Å | 1.23Å | |
| C24 | C15 | sing | 1.51Å | 1.60Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C23 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.60Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.51Å | 1.48Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | N1 | sing | 1.46Å | 1.35Å | |
| C8 | C11 | sing | 1.51Å | 1.54Å | |
| O7 | P1 | doub | 1.48Å | 1.44Å | |
| N1 | C9 | sing | 1.35Å | 1.41Å | |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C14 | P1 | sing | 1.82Å | 1.78Å | |
| C11 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | N2 | sing | 1.35Å | 1.29Å | |
| P1 | O4 | sing | 1.61Å | 1.49Å | |
| P1 | C12 | sing | 1.82Å | 1.72Å | |
| N2 | C12 | sing | 1.46Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| O5 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.5° | 120.1° |
| O1 | C1 | C6 | 121.9° | 120.0° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C2 | C1 | C6 | 120.5° | 119.9° |
| C1 | C2 | C3 | 116.9° | 120.0° |
| C1 | C2 | H2 | 121.6° | 120.0° |
| C1 | C6 | C5 | 119.8° | 119.9° |
| C1 | C6 | H5 | 120.1° | 120.0° |
| C2 | C3 | C4 | 122.4° | 120.0° |
| C3 | C2 | H2 | 121.5° | 120.0° |
| C2 | C3 | H3 | 118.8° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.1° |
| C6 | C5 | H4 | 120.0° | 119.9° |
| C5 | C6 | H5 | 120.1° | 120.1° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C3 | C4 | C7 | 121.3° | 119.9° |
| C4 | C3 | H3 | 118.8° | 119.9° |
| C5 | C4 | C7 | 118.4° | 120.0° |
| C4 | C5 | H4 | 120.0° | 120.0° |
| C4 | C7 | C8 | 120.5° | 109.5° |
| C4 | C7 | H6 | 106.6° | 109.5° |
| C4 | C7 | H7 | 106.7° | 109.4° |
| O6 | C24 | O5 | 125.4° | 120.0° |
| O6 | C24 | C15 | 119.1° | 120.0° |
| O5 | C24 | C15 | 115.2° | 120.0° |
| C24 | O5 | H31 | 109.5° | 117.0° |
| C24 | C15 | C16 | 104.8° | 109.5° |
| C24 | C15 | C14 | 109.0° | 109.5° |
| C24 | C15 | H21 | 109.2° | 109.4° |
| C23 | C22 | C21 | 120.9° | 120.0° |
| C22 | C23 | C18 | 119.6° | 120.0° |
| C23 | C22 | H29 | 119.5° | 120.0° |
| C22 | C23 | H30 | 120.2° | 120.0° |
| C22 | C21 | C20 | 118.7° | 120.0° |
| C22 | C21 | H28 | 120.7° | 120.0° |
| C21 | C22 | H29 | 119.5° | 119.9° |
| C7 | C8 | N1 | 116.2° | 109.5° |
| C7 | C8 | C11 | 108.7° | 109.5° |
| C8 | C7 | H6 | 106.7° | 109.5° |
| C8 | C7 | H7 | 106.6° | 109.5° |
| C7 | C8 | H8 | 105.2° | 109.4° |
| C23 | C18 | C17 | 120.6° | 120.0° |
| C23 | C18 | C19 | 118.1° | 120.0° |
| C18 | C23 | H30 | 120.2° | 120.0° |
| C21 | C20 | C19 | 119.2° | 120.0° |
| C21 | C20 | H27 | 120.4° | 120.0° |
| C20 | C21 | H28 | 120.7° | 120.0° |
| C15 | C16 | C17 | 113.4° | 109.5° |
| C16 | C15 | C14 | 113.9° | 109.5° |
| C16 | C15 | H21 | 109.2° | 109.5° |
| C15 | C16 | H22 | 108.5° | 109.5° |
| C15 | C16 | H23 | 108.5° | 109.5° |
| C16 | C17 | C18 | 120.9° | 109.5° |
| C17 | C16 | H22 | 108.5° | 109.5° |
| C17 | C16 | H23 | 108.5° | 109.5° |
| C16 | C17 | H24 | 106.6° | 109.5° |
| C16 | C17 | H25 | 106.5° | 109.5° |
| C15 | C14 | P1 | 112.6° | 109.5° |
| C15 | C14 | H19 | 108.7° | 109.4° |
| C15 | C14 | H20 | 108.7° | 109.5° |
| C14 | C15 | H21 | 110.5° | 109.5° |
| C17 | C18 | C19 | 121.3° | 120.0° |
| C18 | C17 | H24 | 106.5° | 109.4° |
| C18 | C17 | H25 | 106.5° | 109.4° |
| C18 | C19 | C20 | 122.8° | 120.0° |
| C18 | C19 | H26 | 118.6° | 120.0° |
| N1 | C8 | C11 | 113.3° | 109.5° |
| C8 | N1 | C9 | 117.3° | 120.0° |
| N1 | C8 | H8 | 107.4° | 109.5° |
| C8 | N1 | H9 | 121.4° | 120.0° |
| C8 | C11 | O3 | 120.5° | 120.0° |
| C8 | C11 | N2 | 112.4° | 120.0° |
| C11 | C8 | H8 | 105.2° | 109.5° |
| O7 | P1 | C14 | 105.9° | 109.5° |
| O7 | P1 | O4 | 115.5° | 109.4° |
| O7 | P1 | C12 | 105.7° | 109.5° |
| N1 | C9 | O2 | 125.7° | 120.0° |
| N1 | C9 | C10 | 113.6° | 120.0° |
| C9 | N1 | H9 | 121.4° | 120.0° |
| C20 | C19 | H26 | 118.6° | 120.0° |
| C19 | C20 | H27 | 120.4° | 120.0° |
| O2 | C9 | C10 | 120.6° | 120.0° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.4° |
| C14 | P1 | O4 | 106.8° | 109.5° |
| C14 | P1 | C12 | 111.6° | 109.5° |
| P1 | C14 | H19 | 108.7° | 109.5° |
| P1 | C14 | H20 | 108.7° | 109.5° |
| O3 | C11 | N2 | 126.7° | 120.0° |
| C11 | N2 | C12 | 119.3° | 120.0° |
| C11 | N2 | H13 | 120.4° | 120.1° |
| O4 | P1 | C12 | 111.3° | 109.5° |
| P1 | O4 | H18 | 109.5° | 113.9° |
| P1 | C12 | N2 | 108.6° | 109.5° |
| P1 | C12 | C13 | 112.0° | 109.5° |
| P1 | C12 | H14 | 107.0° | 109.4° |
| N2 | C12 | C13 | 111.5° | 109.5° |
| C12 | N2 | H13 | 120.4° | 119.9° |
| N2 | C12 | H14 | 108.9° | 109.5° |
| C13 | C12 | H14 | 108.7° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.4° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.4° | 109.4° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.4° |
| H15 | C13 | H17 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.4° |
| H24 | C17 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 179.7° | 179.7° |
| O1 | C1 | C2 | C3 | 180.0° | 180.0° |
| O1 | C1 | C6 | C5 | 179.8° | 180.0° |
| O1 | C1 | C2 | H2 | 0.0° | 0.0° |
| O1 | C1 | C6 | H5 | 0.2° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.3° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | O1 | H1 | 180.0° | 90.0° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C6 | H5 | 179.4° | 179.7° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | C1 | O1 | H1 | 0.3° | 89.7° |
| C6 | C1 | C2 | H2 | 179.7° | 179.7° |
| C1 | C6 | C5 | H4 | 179.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.3° |
| C2 | C3 | C4 | C7 | 178.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C7 | 177.9° | 180.0° |
| C3 | C4 | C5 | C7 | 177.7° | 179.7° |
| C3 | C4 | C7 | C8 | 82.6° | 90.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H4 | 179.8° | 179.7° |
| C3 | C4 | C7 | H6 | 155.9° | 30.1° |
| C3 | C4 | C7 | H7 | 39.0° | 150.0° |
| C5 | C4 | C7 | C8 | 95.1° | 90.3° |
| C5 | C4 | C3 | H3 | 179.6° | 179.8° |
| C4 | C5 | C6 | H5 | 179.7° | 179.9° |
| C5 | C4 | C7 | H6 | 26.5° | 149.7° |
| C5 | C4 | C7 | H7 | 143.4° | 29.8° |
| C4 | C7 | C8 | H6 | 121.5° | 120.0° |
| C4 | C7 | C8 | H7 | 121.6° | 120.0° |
| C4 | C7 | C8 | N1 | 60.1° | 65.0° |
| C4 | C7 | C8 | C11 | 170.7° | 175.0° |
| C7 | C4 | C3 | H3 | 2.0° | 0.0° |
| C7 | C4 | C5 | H4 | 2.2° | 0.0° |
| C4 | C7 | H6 | H7 | 115.0° | 119.9° |
| C4 | C7 | C8 | H8 | 58.5° | 55.0° |
| O6 | C24 | O5 | C15 | 174.4° | 179.9° |
| O6 | C24 | C15 | C16 | 101.6° | 120.0° |
| O6 | C24 | C15 | C14 | 136.1° | 0.1° |
| O6 | C24 | C15 | H21 | 15.3° | 120.0° |
| O6 | C24 | O5 | H31 | 0.0° | 0.1° |
| O5 | C24 | C15 | C16 | 73.1° | 59.9° |
| O5 | C24 | C15 | C14 | 49.1° | 180.0° |
| O5 | C24 | C15 | H21 | 169.9° | 60.0° |
| C24 | C15 | C16 | C14 | 119.0° | 120.0° |
| C24 | C15 | C16 | H21 | 116.9° | 120.0° |
| C24 | C15 | C16 | C17 | 141.7° | 65.0° |
| C24 | C15 | C14 | H21 | 120.0° | 120.0° |
| C24 | C15 | C14 | P1 | 68.5° | 75.0° |
| C24 | C15 | C14 | H19 | 51.9° | 165.0° |
| C24 | C15 | C14 | H20 | 171.0° | 45.1° |
| C24 | C15 | C16 | H22 | 97.7° | 175.0° |
| C24 | C15 | C16 | H23 | 21.1° | 55.1° |
| C15 | C24 | O5 | H31 | 174.4° | 180.0° |
| C23 | C22 | C21 | H29 | 180.0° | 179.4° |
| C22 | C23 | C18 | H30 | 180.0° | 179.4° |
| C23 | C22 | C21 | C20 | 5.1° | 0.3° |
| C22 | C23 | C18 | C17 | 173.4° | 179.7° |
| C22 | C23 | C18 | C19 | 5.0° | 0.6° |
| C23 | C22 | C21 | H28 | 174.9° | 179.8° |
| C21 | C22 | C23 | C18 | 8.8° | 0.6° |
| C22 | C21 | C20 | H28 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 2.3° | 0.0° |
| C22 | C21 | C20 | H27 | 177.8° | 179.9° |
| C21 | C22 | C23 | H30 | 171.2° | 180.0° |
| C7 | C8 | N1 | C11 | 126.9° | 120.0° |
| C7 | C8 | N1 | H8 | 117.4° | 120.0° |
| C7 | C8 | C11 | H8 | 112.2° | 120.0° |
| C7 | C8 | N1 | C9 | 119.7° | 60.0° |
| C7 | C8 | C11 | O3 | 80.1° | 100.0° |
| C7 | C8 | C11 | N2 | 93.0° | 80.0° |
| C8 | C7 | H6 | H7 | 115.0° | 120.1° |
| C7 | C8 | N1 | H9 | 60.3° | 120.0° |
| C23 | C18 | C17 | C16 | 79.2° | 90.3° |
| C23 | C18 | C17 | C19 | 178.4° | 179.7° |
| C23 | C18 | C19 | C20 | 2.4° | 0.3° |
| C23 | C18 | C17 | H24 | 159.2° | 149.7° |
| C23 | C18 | C17 | H25 | 42.3° | 29.7° |
| C23 | C18 | C19 | H26 | 177.6° | 179.7° |
| C18 | C23 | C22 | H29 | 171.2° | 180.0° |
| C21 | C20 | C19 | C18 | 6.1° | 0.0° |
| C21 | C20 | C19 | H27 | 180.0° | 179.9° |
| C21 | C20 | C19 | H26 | 173.9° | 180.0° |
| C20 | C21 | C22 | H29 | 174.9° | 179.7° |
| C15 | C16 | C17 | H22 | 120.6° | 120.0° |
| C15 | C16 | C17 | H23 | 120.6° | 120.0° |
| C16 | C15 | C14 | H21 | 123.4° | 120.0° |
| C15 | C16 | C17 | C18 | 67.9° | 180.0° |
| C16 | C15 | C14 | P1 | 174.9° | 165.0° |
| C16 | C15 | C14 | H19 | 64.7° | 44.9° |
| C16 | C15 | C14 | H20 | 54.4° | 75.0° |
| C15 | C16 | H22 | H23 | 118.2° | 120.0° |
| C15 | C16 | C17 | H24 | 53.7° | 60.0° |
| C15 | C16 | C17 | H25 | 170.6° | 60.1° |
| C17 | C16 | C15 | C14 | 99.3° | 175.0° |
| C16 | C17 | C18 | H24 | 121.6° | 120.0° |
| C16 | C17 | C18 | H25 | 121.6° | 120.0° |
| C16 | C17 | C18 | C19 | 102.4° | 90.0° |
| C17 | C16 | C15 | H21 | 24.8° | 55.0° |
| C17 | C16 | H22 | H23 | 118.2° | 120.0° |
| C16 | C17 | H24 | H25 | 114.9° | 120.0° |
| C15 | C14 | P1 | O7 | 53.3° | 55.0° |
| C15 | C14 | P1 | H19 | 120.4° | 120.0° |
| C15 | C14 | P1 | H20 | 120.5° | 120.0° |
| C15 | C14 | P1 | O4 | 70.3° | 65.0° |
| C15 | C14 | P1 | C12 | 167.9° | 175.0° |
| C15 | C14 | H19 | H20 | 118.6° | 120.0° |
| C14 | C15 | C16 | H22 | 21.3° | 55.0° |
| C14 | C15 | C16 | H23 | 140.1° | 65.0° |
| C17 | C18 | C19 | C20 | 179.1° | 180.0° |
| C18 | C17 | C16 | H22 | 171.5° | 60.0° |
| C18 | C17 | C16 | H23 | 52.7° | 60.0° |
| C18 | C17 | H24 | H25 | 114.8° | 119.9° |
| C17 | C18 | C19 | H26 | 0.9° | 0.0° |
| C17 | C18 | C23 | H30 | 6.6° | 0.2° |
| C18 | C19 | C20 | H26 | 180.0° | 180.0° |
| C19 | C18 | C17 | H24 | 19.2° | 30.0° |
| C19 | C18 | C17 | H25 | 136.1° | 150.0° |
| C18 | C19 | C20 | H27 | 173.9° | 179.9° |
| C19 | C18 | C23 | H30 | 175.0° | 179.9° |
| N1 | C8 | C11 | H8 | 117.0° | 120.0° |
| C8 | N1 | C9 | H9 | 180.0° | 180.0° |
| C8 | N1 | C9 | O2 | 3.9° | 0.0° |
| C8 | N1 | C9 | C10 | 178.5° | 179.7° |
| N1 | C8 | C11 | O3 | 50.7° | 20.0° |
| N1 | C8 | C11 | N2 | 136.3° | 160.0° |
| N1 | C8 | C7 | H6 | 178.3° | 55.0° |
| N1 | C8 | C7 | H7 | 61.5° | 175.0° |
| C11 | C8 | N1 | C9 | 113.4° | 60.0° |
| C8 | C11 | O3 | N2 | 172.0° | 179.9° |
| C8 | C11 | N2 | C12 | 174.2° | 180.0° |
| C11 | C8 | C7 | H6 | 49.2° | 65.0° |
| C11 | C8 | C7 | H7 | 67.7° | 55.0° |
| C11 | C8 | N1 | H9 | 66.6° | 120.0° |
| C8 | C11 | N2 | H13 | 5.8° | 0.0° |
| O7 | P1 | C14 | O4 | 123.6° | 119.9° |
| O7 | P1 | C14 | C12 | 114.6° | 120.0° |
| O7 | P1 | O4 | C12 | 120.5° | 120.0° |
| O7 | P1 | C12 | N2 | 50.8° | 60.0° |
| O7 | P1 | C12 | C13 | 174.3° | 60.1° |
| O7 | P1 | C12 | H14 | 66.6° | 180.0° |
| O7 | P1 | O4 | H18 | 0.0° | 180.0° |
| O7 | P1 | C14 | H19 | 67.1° | 175.0° |
| O7 | P1 | C14 | H20 | 173.8° | 65.1° |
| N1 | C9 | O2 | C10 | 177.5° | 179.7° |
| C9 | N1 | C8 | H8 | 2.3° | 180.0° |
| N1 | C9 | C10 | H10 | 177.8° | 179.7° |
| N1 | C9 | C10 | H11 | 62.2° | 59.7° |
| N1 | C9 | C10 | H12 | 57.8° | 60.3° |
| C19 | C20 | C21 | H28 | 177.7° | 179.9° |
| O2 | C9 | N1 | H9 | 176.2° | 180.0° |
| O2 | C9 | C10 | H10 | 0.0° | 0.1° |
| O2 | C9 | C10 | H11 | 120.0° | 120.0° |
| O2 | C9 | C10 | H12 | 120.0° | 120.0° |
| C10 | C9 | N1 | H9 | 1.5° | 0.3° |
| C9 | C10 | H10 | H11 | 120.0° | 120.1° |
| C9 | C10 | H10 | H12 | 120.0° | 119.9° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C14 | P1 | O4 | C12 | 122.1° | 120.0° |
| C14 | P1 | C12 | N2 | 63.9° | 180.0° |
| C14 | P1 | C12 | C13 | 59.7° | 60.0° |
| C14 | P1 | C12 | H14 | 178.7° | 60.0° |
| C14 | P1 | O4 | H18 | 117.4° | 60.1° |
| P1 | C14 | H19 | H20 | 118.6° | 120.0° |
| P1 | C14 | C15 | H21 | 51.5° | 45.0° |
| O3 | C11 | N2 | C12 | 1.7° | 0.1° |
| O3 | C11 | C8 | H8 | 167.7° | 140.0° |
| O3 | C11 | N2 | H13 | 178.3° | 180.0° |
| C11 | N2 | C12 | P1 | 107.3° | 105.0° |
| C11 | N2 | C12 | H13 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 128.9° | 135.0° |
| N2 | C11 | C8 | H8 | 19.2° | 39.9° |
| C11 | N2 | C12 | H14 | 8.9° | 15.0° |
| O4 | P1 | C12 | N2 | 176.9° | 60.0° |
| O4 | P1 | C12 | C13 | 59.5° | 180.0° |
| O4 | P1 | C12 | H14 | 59.5° | 60.0° |
| O4 | P1 | C14 | H19 | 169.3° | 55.0° |
| O4 | P1 | C14 | H20 | 50.2° | 175.0° |
| P1 | C12 | N2 | C13 | 123.9° | 120.0° |
| P1 | C12 | N2 | H14 | 116.2° | 119.9° |
| P1 | C12 | C13 | H14 | 118.0° | 119.9° |
| P1 | C12 | N2 | H13 | 72.7° | 75.0° |
| P1 | C12 | C13 | H15 | 180.0° | 180.0° |
| P1 | C12 | C13 | H16 | 60.0° | 60.1° |
| P1 | C12 | C13 | H17 | 60.0° | 60.0° |
| C12 | P1 | O4 | H18 | 120.5° | 60.0° |
| C12 | P1 | C14 | H19 | 47.4° | 65.0° |
| C12 | P1 | C14 | H20 | 71.7° | 55.0° |
| N2 | C12 | C13 | H14 | 120.1° | 120.0° |
| N2 | C12 | C13 | H15 | 58.1° | 60.0° |
| N2 | C12 | C13 | H16 | 61.9° | 60.0° |
| N2 | C12 | C13 | H17 | 178.1° | 180.0° |
| C13 | C12 | N2 | H13 | 51.1° | 45.0° |
| C12 | C13 | H15 | H16 | 120.0° | 120.0° |
| C12 | C13 | H15 | H17 | 120.0° | 120.0° |
| C12 | C13 | H16 | H17 | 120.0° | 120.1° |
| H2 | C2 | C3 | H3 | 0.2° | 0.1° |
| H4 | C5 | C6 | H5 | 0.3° | 0.1° |
| H6 | C7 | C8 | H8 | 63.0° | 175.0° |
| H7 | C7 | C8 | H8 | 179.9° | 65.0° |
| H8 | C8 | N1 | H9 | 177.7° | 0.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H13 | N2 | C12 | H14 | 171.1° | 165.0° |
| H14 | C12 | C13 | H15 | 62.0° | 60.1° |
| H14 | C12 | C13 | H16 | 178.1° | 180.0° |
| H14 | C12 | C13 | H17 | 58.0° | 59.9° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
| H19 | C14 | C15 | H21 | 171.9° | 75.1° |
| H20 | C14 | C15 | H21 | 68.9° | 165.0° |
| H21 | C15 | C16 | H22 | 145.4° | 65.0° |
| H21 | C15 | C16 | H23 | 95.8° | 175.0° |
| H22 | C16 | C17 | H24 | 66.9° | 180.0° |
| H22 | C16 | C17 | H25 | 50.0° | 60.0° |
| H23 | C16 | C17 | H24 | 174.3° | 60.0° |
| H23 | C16 | C17 | H25 | 68.8° | 180.0° |
| H26 | C19 | C20 | H27 | 6.1° | 0.1° |
| H27 | C20 | C21 | H28 | 2.3° | 0.0° |
| H28 | C21 | C22 | H29 | 5.1° | 0.4° |
| H29 | C22 | C23 | H30 | 8.8° | 0.6° |
