A1ERS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N7 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C12 | N11 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| N11 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| N13 | C14 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.46Å | 1.48Å | |
| C4 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | N3 | sing | 1.38Å | 1.39Å | |
| C10 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.34Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | N17 | sing | 1.39Å | 1.39Å | |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C2 | N17 | sing | 1.35Å | 1.39Å | |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| N17 | C18 | sing | 1.40Å | 1.43Å | |
| C18 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | O30 | doub | 1.21Å | 1.22Å | |
| C28 | N27 | sing | 1.35Å | 1.33Å | |
| C21 | O22 | sing | 1.36Å | 1.39Å | |
| C21 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| O22 | C23 | sing | 1.36Å | 1.39Å | |
| N27 | C26 | sing | 1.47Å | 1.45Å | |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N7 | H11 | sing | 1.01Å | 1.00Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| N15 | H14 | sing | 0.97Å | 1.00Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| N27 | H20 | sing | 0.97Å | 1.00Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | N7 | 110.3° | 109.5° |
| C6 | C5 | C4 | 110.2° | 109.3° |
| C6 | C5 | H2 | 109.3° | 109.5° |
| C6 | C5 | H3 | 109.3° | 109.6° |
| C5 | C6 | H4 | 109.3° | 109.5° |
| C5 | C6 | H5 | 109.3° | 109.5° |
| C6 | N7 | C8 | 111.5° | 111.2° |
| N7 | C6 | H4 | 109.3° | 109.5° |
| N7 | C6 | H5 | 109.2° | 109.5° |
| C6 | N7 | H11 | 109.0° | 111.0° |
| C5 | C4 | N3 | 114.8° | 109.5° |
| C5 | C4 | C9 | 112.9° | 109.2° |
| C5 | C4 | H1 | 104.3° | 109.6° |
| C4 | C5 | H2 | 109.3° | 109.5° |
| C4 | C5 | H3 | 109.3° | 109.5° |
| N11 | C12 | N13 | 128.8° | 122.3° |
| C12 | N11 | C10 | 112.7° | 120.6° |
| N11 | C12 | H10 | 115.6° | 118.9° |
| C12 | N13 | C14 | 118.4° | 121.0° |
| N13 | C12 | H10 | 115.6° | 118.9° |
| N7 | C8 | C9 | 110.4° | 109.5° |
| N7 | C8 | H6 | 109.2° | 109.5° |
| N7 | C8 | H7 | 109.3° | 109.4° |
| C8 | N7 | H11 | 108.9° | 111.0° |
| N11 | C10 | N3 | 127.6° | 134.2° |
| N11 | C10 | C16 | 124.7° | 119.0° |
| N13 | C14 | C16 | 118.1° | 118.5° |
| N13 | C14 | N15 | 117.6° | 120.8° |
| N3 | C4 | C9 | 114.4° | 109.5° |
| C4 | N3 | C10 | 132.0° | 125.7° |
| C4 | N3 | C2 | 118.9° | 125.7° |
| N3 | C4 | H1 | 104.6° | 109.5° |
| C4 | C9 | C8 | 110.7° | 109.3° |
| C9 | C4 | H1 | 104.2° | 109.5° |
| C4 | C9 | H8 | 109.2° | 109.5° |
| C4 | C9 | H9 | 109.2° | 109.5° |
| N3 | C10 | C16 | 107.7° | 106.9° |
| C10 | N3 | C2 | 109.0° | 108.6° |
| C10 | C16 | C14 | 117.2° | 118.6° |
| C10 | C16 | N17 | 107.0° | 106.9° |
| C29 | C28 | O30 | 122.0° | 120.0° |
| C29 | C28 | N27 | 116.3° | 120.0° |
| C28 | C29 | H21 | 109.5° | 109.4° |
| C28 | C29 | H22 | 109.5° | 109.4° |
| C28 | C29 | H23 | 109.4° | 109.5° |
| C16 | C14 | N15 | 124.3° | 120.7° |
| C14 | C16 | N17 | 135.7° | 134.5° |
| C14 | N15 | H13 | 109.5° | 120.0° |
| C14 | N15 | H14 | 109.5° | 120.0° |
| N3 | C2 | N17 | 107.3° | 109.6° |
| N3 | C2 | O1 | 126.4° | 125.2° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C19 | C20 | C21 | 119.7° | 120.0° |
| C20 | C19 | H15 | 119.8° | 120.0° |
| C19 | C20 | H16 | 120.2° | 120.0° |
| C19 | C18 | N17 | 119.6° | 120.0° |
| C19 | C18 | C35 | 119.8° | 119.9° |
| C18 | C19 | H15 | 119.8° | 120.0° |
| C16 | N17 | C2 | 109.1° | 108.1° |
| C16 | N17 | C18 | 127.1° | 126.0° |
| C20 | C21 | O22 | 117.1° | 120.0° |
| C20 | C21 | C34 | 120.4° | 120.0° |
| C21 | C20 | H16 | 120.2° | 120.0° |
| C9 | C8 | H6 | 109.2° | 109.5° |
| C9 | C8 | H7 | 109.2° | 109.4° |
| C8 | C9 | H8 | 109.2° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.5° |
| N17 | C2 | O1 | 126.3° | 125.2° |
| C2 | N17 | C18 | 123.4° | 126.0° |
| N17 | C18 | C35 | 120.1° | 120.0° |
| C18 | C35 | C34 | 119.9° | 120.0° |
| C18 | C35 | H28 | 120.0° | 120.0° |
| O30 | C28 | N27 | 121.7° | 120.0° |
| C28 | N27 | C26 | 118.0° | 120.0° |
| C28 | N27 | H20 | 121.0° | 120.0° |
| O22 | C21 | C34 | 122.3° | 119.9° |
| C21 | O22 | C23 | 118.9° | 118.0° |
| C21 | C34 | C35 | 119.7° | 120.0° |
| C21 | C34 | H27 | 120.1° | 120.0° |
| O22 | C23 | C24 | 120.1° | 120.1° |
| O22 | C23 | C33 | 118.7° | 120.0° |
| N27 | C26 | C25 | 115.5° | 109.5° |
| N27 | C26 | H18 | 107.9° | 109.5° |
| N27 | C26 | H19 | 107.9° | 109.5° |
| C26 | N27 | H20 | 121.0° | 120.0° |
| C35 | C34 | H27 | 120.2° | 120.0° |
| C34 | C35 | H28 | 120.0° | 120.0° |
| C23 | C24 | C25 | 119.9° | 119.9° |
| C24 | C23 | C33 | 121.1° | 119.9° |
| C23 | C24 | H17 | 120.1° | 120.0° |
| C24 | C25 | C26 | 121.0° | 119.9° |
| C24 | C25 | C31 | 118.8° | 120.1° |
| C25 | C24 | H17 | 120.1° | 120.1° |
| C23 | C33 | C32 | 118.9° | 120.0° |
| C23 | C33 | H26 | 120.5° | 120.1° |
| C26 | C25 | C31 | 120.1° | 120.0° |
| C25 | C26 | H18 | 108.0° | 109.5° |
| C25 | C26 | H19 | 108.0° | 109.5° |
| C25 | C31 | C32 | 120.9° | 120.1° |
| C25 | C31 | H24 | 119.5° | 120.0° |
| C33 | C32 | C31 | 120.3° | 120.0° |
| C33 | C32 | H25 | 119.8° | 120.0° |
| C32 | C33 | H26 | 120.5° | 120.0° |
| C32 | C31 | H24 | 119.5° | 119.9° |
| C31 | C32 | H25 | 119.9° | 119.9° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C8 | H7 | 109.4° | 109.5° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H13 | N15 | H14 | 109.5° | 120.1° |
| H18 | C26 | H19 | 109.4° | 109.4° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | N7 | H4 | 120.1° | 120.0° |
| C5 | C6 | N7 | H5 | 120.1° | 120.0° |
| C6 | C5 | C4 | H2 | 120.1° | 120.0° |
| C6 | C5 | C4 | H3 | 120.1° | 120.0° |
| C5 | C6 | N7 | C8 | 65.3° | 61.7° |
| C6 | C5 | C4 | N3 | 179.5° | 177.6° |
| C6 | C5 | C4 | C9 | 45.8° | 57.7° |
| C6 | C5 | C4 | H1 | 66.7° | 62.3° |
| C6 | C5 | H2 | H3 | 119.7° | 120.2° |
| C5 | C6 | H4 | H5 | 119.6° | 119.9° |
| C5 | C6 | N7 | H11 | 55.0° | 174.1° |
| N7 | C6 | C5 | C4 | 13.5° | 59.2° |
| C6 | N7 | C8 | H11 | 120.3° | 124.1° |
| C6 | N7 | C8 | C9 | 53.0° | 61.7° |
| N7 | C6 | C5 | H2 | 133.6° | 179.1° |
| N7 | C6 | C5 | H3 | 106.6° | 60.8° |
| N7 | C6 | H4 | H5 | 119.6° | 120.0° |
| C6 | N7 | C8 | H6 | 173.2° | 178.3° |
| C6 | N7 | C8 | H7 | 67.1° | 58.2° |
| C5 | C4 | N3 | C9 | 132.9° | 119.7° |
| C5 | C4 | N3 | H1 | 113.6° | 120.2° |
| C5 | C4 | C9 | H1 | 112.5° | 120.0° |
| C5 | C4 | N3 | C10 | 48.9° | 120.3° |
| C5 | C4 | N3 | C2 | 125.9° | 59.7° |
| C5 | C4 | C9 | C8 | 57.7° | 57.7° |
| C4 | C5 | H2 | H3 | 119.7° | 120.0° |
| C4 | C5 | C6 | H4 | 133.6° | 60.9° |
| C4 | C5 | C6 | H5 | 106.6° | 179.2° |
| C5 | C4 | C9 | H8 | 62.5° | 62.3° |
| C5 | C4 | C9 | H9 | 177.9° | 177.6° |
| N11 | C12 | N13 | H10 | 180.0° | 179.9° |
| N11 | C12 | N13 | C14 | 0.1° | 0.3° |
| C12 | N11 | C10 | N3 | 176.6° | 180.0° |
| C12 | N11 | C10 | C16 | 1.0° | 0.2° |
| N13 | C12 | N11 | C10 | 0.9° | 0.0° |
| C12 | N13 | C14 | C16 | 0.8° | 0.3° |
| C12 | N13 | C14 | N15 | 177.2° | 180.0° |
| N7 | C8 | C9 | C4 | 7.2° | 59.1° |
| N7 | C8 | C9 | H6 | 120.1° | 120.1° |
| N7 | C8 | C9 | H7 | 120.2° | 119.9° |
| C8 | N7 | C6 | H4 | 174.5° | 58.3° |
| C8 | N7 | C6 | H5 | 54.8° | 178.2° |
| N7 | C8 | H6 | H7 | 119.6° | 120.0° |
| N7 | C8 | C9 | H8 | 113.0° | 60.8° |
| N7 | C8 | C9 | H9 | 127.4° | 179.1° |
| N11 | C10 | N3 | C4 | 3.5° | 0.0° |
| N11 | C10 | N3 | C16 | 177.9° | 179.8° |
| N11 | C10 | C16 | C14 | 0.2° | 0.2° |
| N11 | C10 | N3 | C2 | 178.7° | 180.0° |
| N11 | C10 | C16 | N17 | 178.1° | 179.8° |
| C10 | N11 | C12 | H10 | 179.1° | 179.9° |
| N13 | C14 | C16 | C10 | 0.7° | 0.0° |
| N13 | C14 | C16 | N15 | 177.8° | 179.8° |
| N13 | C14 | C16 | N17 | 176.3° | 179.4° |
| C14 | N13 | C12 | H10 | 179.9° | 179.8° |
| N13 | C14 | N15 | H13 | 0.0° | 0.4° |
| N13 | C14 | N15 | H14 | 120.0° | 179.6° |
| N3 | C4 | C9 | H1 | 113.6° | 120.1° |
| C4 | N3 | C10 | C2 | 175.2° | 180.0° |
| C4 | N3 | C10 | C16 | 174.4° | 179.8° |
| N3 | C4 | C9 | C8 | 168.4° | 177.6° |
| C4 | N3 | C2 | N17 | 174.7° | 180.0° |
| C4 | N3 | C2 | O1 | 5.6° | 0.3° |
| N3 | C4 | C5 | H2 | 59.4° | 62.5° |
| N3 | C4 | C5 | H3 | 60.4° | 57.6° |
| N3 | C4 | C9 | H8 | 71.4° | 57.6° |
| N3 | C4 | C9 | H9 | 48.2° | 62.5° |
| C9 | C4 | N3 | C10 | 84.0° | 120.0° |
| C9 | C4 | N3 | C2 | 101.1° | 60.0° |
| C4 | C9 | C8 | H8 | 120.2° | 120.0° |
| C4 | C9 | C8 | H9 | 120.2° | 120.0° |
| C9 | C4 | C5 | H2 | 74.3° | 177.6° |
| C9 | C4 | C5 | H3 | 165.9° | 62.4° |
| C4 | C9 | C8 | H6 | 113.0° | 179.2° |
| C4 | C9 | C8 | H7 | 127.3° | 60.8° |
| C4 | C9 | H8 | H9 | 119.5° | 120.1° |
| N3 | C10 | C16 | C14 | 177.8° | 180.0° |
| N3 | C10 | C16 | N17 | 0.1° | 0.4° |
| C10 | N3 | C2 | N17 | 1.2° | 0.0° |
| C10 | N3 | C2 | O1 | 178.5° | 179.8° |
| C10 | N3 | C4 | H1 | 162.5° | 0.1° |
| C10 | C16 | C14 | N17 | 177.1° | 179.4° |
| C10 | C16 | C14 | N15 | 177.1° | 179.8° |
| C16 | C10 | N3 | C2 | 0.8° | 0.2° |
| C10 | C16 | N17 | C2 | 0.7° | 0.4° |
| C10 | C16 | N17 | C18 | 172.2° | 179.6° |
| C29 | C28 | O30 | N27 | 179.8° | 180.0° |
| C29 | C28 | N27 | C26 | 177.3° | 180.0° |
| C29 | C28 | N27 | H20 | 2.6° | 0.0° |
| C28 | C29 | H21 | H22 | 120.0° | 119.9° |
| C28 | C29 | H21 | H23 | 120.0° | 120.1° |
| C28 | C29 | H22 | H23 | 120.0° | 120.0° |
| C14 | C16 | N17 | C2 | 177.9° | 179.9° |
| C14 | C16 | N17 | C18 | 5.0° | 0.1° |
| C16 | C14 | N15 | H13 | 177.8° | 179.3° |
| C16 | C14 | N15 | H14 | 62.2° | 0.7° |
| N15 | C14 | C16 | N17 | 5.8° | 0.3° |
| C14 | N15 | H13 | H14 | 120.0° | 180.0° |
| N3 | C2 | N17 | C16 | 1.2° | 0.3° |
| N3 | C2 | N17 | O1 | 179.7° | 179.7° |
| N3 | C2 | N17 | C18 | 172.1° | 179.7° |
| C2 | N3 | C4 | H1 | 12.3° | 179.9° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | H16 | 180.0° | 179.8° |
| C20 | C19 | C18 | N17 | 171.0° | 179.9° |
| C20 | C19 | C18 | C35 | 0.3° | 0.2° |
| C19 | C20 | C21 | O22 | 175.7° | 180.0° |
| C19 | C20 | C21 | C34 | 0.3° | 0.1° |
| C19 | C18 | N17 | C16 | 57.9° | 94.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C19 | C18 | N17 | C2 | 114.0° | 85.1° |
| C19 | C18 | N17 | C35 | 171.3° | 179.7° |
| C19 | C18 | C35 | C34 | 0.4° | 0.5° |
| C18 | C19 | C20 | H16 | 180.0° | 179.9° |
| C19 | C18 | C35 | H28 | 179.6° | 179.7° |
| C16 | N17 | C2 | C18 | 173.2° | 180.0° |
| C16 | N17 | C2 | O1 | 178.5° | 180.0° |
| C16 | N17 | C18 | C35 | 130.8° | 85.4° |
| C20 | C21 | O22 | C34 | 175.9° | 179.9° |
| C20 | C21 | O22 | C23 | 162.6° | 5.2° |
| C20 | C21 | C34 | C35 | 0.2° | 0.2° |
| C21 | C20 | C19 | H15 | 180.0° | 179.9° |
| C20 | C21 | C34 | H27 | 179.8° | 179.9° |
| C8 | C9 | C4 | H1 | 54.8° | 62.3° |
| C9 | C8 | H6 | H7 | 119.6° | 120.0° |
| C8 | C9 | H8 | H9 | 119.4° | 120.0° |
| C9 | C8 | N7 | H11 | 67.3° | 174.2° |
| C2 | N17 | C18 | C35 | 57.2° | 94.6° |
| O1 | C2 | N17 | C18 | 8.2° | 0.0° |
| N17 | C18 | C35 | C34 | 170.9° | 179.8° |
| N17 | C18 | C19 | H15 | 9.0° | 0.0° |
| N17 | C18 | C35 | H28 | 9.1° | 0.0° |
| C18 | C35 | C34 | C21 | 0.1° | 0.5° |
| C18 | C35 | C34 | H28 | 180.0° | 179.7° |
| C35 | C18 | C19 | H15 | 179.7° | 179.7° |
| C18 | C35 | C34 | H27 | 179.9° | 179.7° |
| O30 | C28 | N27 | C26 | 2.5° | 0.0° |
| O30 | C28 | N27 | H20 | 177.6° | 180.0° |
| O30 | C28 | C29 | H21 | 0.0° | 90.0° |
| O30 | C28 | C29 | H22 | 120.0° | 150.0° |
| O30 | C28 | C29 | H23 | 120.0° | 30.0° |
| C28 | N27 | C26 | H20 | 180.0° | 180.0° |
| C28 | N27 | C26 | C25 | 98.7° | 180.0° |
| C28 | N27 | C26 | H18 | 22.3° | 60.0° |
| C28 | N27 | C26 | H19 | 140.4° | 60.0° |
| N27 | C28 | C29 | H21 | 179.7° | 90.0° |
| N27 | C28 | C29 | H22 | 60.2° | 30.0° |
| N27 | C28 | C29 | H23 | 59.8° | 150.0° |
| O22 | C21 | C34 | C35 | 175.6° | 179.7° |
| C21 | O22 | C23 | C24 | 72.0° | 103.5° |
| C21 | O22 | C23 | C33 | 108.5° | 76.8° |
| O22 | C21 | C20 | H16 | 4.3° | 0.2° |
| O22 | C21 | C34 | H27 | 4.4° | 0.1° |
| C34 | C21 | O22 | C23 | 13.3° | 174.9° |
| C21 | C34 | C35 | H27 | 180.0° | 179.7° |
| C34 | C21 | C20 | H16 | 179.7° | 179.9° |
| C21 | C34 | C35 | H28 | 179.9° | 179.8° |
| O22 | C23 | C24 | C33 | 179.4° | 179.8° |
| O22 | C23 | C24 | C25 | 179.3° | 180.0° |
| O22 | C23 | C33 | C32 | 179.3° | 179.7° |
| O22 | C23 | C24 | H17 | 0.7° | 0.0° |
| O22 | C23 | C33 | H26 | 0.7° | 0.0° |
| N27 | C26 | C25 | C24 | 2.5° | 90.0° |
| N27 | C26 | C25 | H18 | 120.9° | 120.0° |
| N27 | C26 | C25 | H19 | 120.9° | 120.0° |
| N27 | C26 | C25 | C31 | 177.2° | 90.0° |
| N27 | C26 | H18 | H19 | 117.2° | 120.0° |
| C23 | C24 | C25 | H17 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.6° | 180.0° |
| C23 | C24 | C25 | C31 | 0.0° | 0.0° |
| C24 | C23 | C33 | C32 | 0.1° | 0.5° |
| C24 | C23 | C33 | H26 | 179.9° | 179.8° |
| C25 | C24 | C23 | C33 | 0.1° | 0.3° |
| C24 | C25 | C26 | C31 | 179.7° | 180.0° |
| C24 | C25 | C31 | C32 | 0.0° | 0.0° |
| C24 | C25 | C26 | H18 | 123.4° | 150.0° |
| C24 | C25 | C26 | H19 | 118.4° | 30.0° |
| C24 | C25 | C31 | H24 | 180.0° | 180.0° |
| C23 | C33 | C32 | H26 | 180.0° | 179.7° |
| C23 | C33 | C32 | C31 | 0.1° | 0.5° |
| C33 | C23 | C24 | H17 | 179.9° | 179.7° |
| C23 | C33 | C32 | H25 | 179.9° | 179.7° |
| C26 | C25 | C31 | C32 | 179.7° | 180.0° |
| C26 | C25 | C24 | H17 | 0.4° | 0.0° |
| C25 | C26 | H18 | H19 | 117.3° | 120.0° |
| C25 | C26 | N27 | H20 | 81.4° | 0.0° |
| C26 | C25 | C31 | H24 | 0.3° | 0.0° |
| C25 | C31 | C32 | C33 | 0.1° | 0.3° |
| C25 | C31 | C32 | H24 | 180.0° | 180.0° |
| C31 | C25 | C24 | H17 | 180.0° | 180.0° |
| C31 | C25 | C26 | H18 | 56.3° | 30.0° |
| C31 | C25 | C26 | H19 | 61.9° | 150.0° |
| C25 | C31 | C32 | H25 | 179.9° | 180.0° |
| C33 | C32 | C31 | H25 | 180.0° | 179.7° |
| C33 | C32 | C31 | H24 | 179.9° | 179.7° |
| C31 | C32 | C33 | H26 | 179.9° | 179.7° |
| H1 | C4 | C5 | H2 | 173.2° | 57.7° |
| H1 | C4 | C5 | H3 | 53.4° | 177.7° |
| H1 | C4 | C9 | H8 | 175.0° | 177.8° |
| H1 | C4 | C9 | H9 | 65.4° | 57.6° |
| H2 | C5 | C6 | H4 | 106.3° | 59.1° |
| H2 | C5 | C6 | H5 | 13.5° | 60.8° |
| H3 | C5 | C6 | H4 | 13.5° | 179.2° |
| H3 | C5 | C6 | H5 | 133.3° | 59.3° |
| H4 | C6 | N7 | H11 | 65.1° | 65.8° |
| H5 | C6 | N7 | H11 | 175.1° | 54.1° |
| H6 | C8 | C9 | H8 | 126.9° | 59.2° |
| H6 | C8 | C9 | H9 | 7.3° | 60.8° |
| H6 | C8 | N7 | H11 | 52.8° | 54.1° |
| H7 | C8 | C9 | H8 | 7.2° | 179.3° |
| H7 | C8 | C9 | H9 | 112.4° | 59.2° |
| H7 | C8 | N7 | H11 | 172.5° | 65.9° |
| H15 | C19 | C20 | H16 | 0.0° | 0.1° |
| H18 | C26 | N27 | H20 | 157.7° | 120.0° |
| H19 | C26 | N27 | H20 | 39.5° | 120.1° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
| H24 | C31 | C32 | H25 | 0.1° | 0.0° |
| H25 | C32 | C33 | H26 | 0.1° | 0.0° |
| H27 | C34 | C35 | H28 | 0.1° | 0.0° |
