Q09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.43Å | Aromatic |
| C17 | C12 | sing | 1.42Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.40Å | Aromatic |
| O21 | C20 | doub | 1.22Å | 1.18Å | |
| C12 | N11 | sing | 1.33Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | N26 | sing | 1.47Å | 1.44Å | |
| C28 | C29 | sing | 1.53Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C20 | C18 | sing | 1.48Å | 1.53Å | |
| C20 | N22 | sing | 1.35Å | 1.46Å | |
| C23 | N22 | sing | 1.46Å | 1.46Å | |
| C18 | C19 | doub | 1.39Å | 1.36Å | Aromatic |
| C25 | N26 | sing | 1.47Å | 1.21Å | |
| N26 | C31 | sing | 1.47Å | 1.45Å | |
| N11 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.44Å | |
| C19 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C07 | sing | 1.48Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | O03 | sing | 1.36Å | 1.40Å | |
| O03 | C02 | sing | 1.43Å | 1.39Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| N22 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 120.2° | 120.8° |
| C15 | C14 | C13 | 119.8° | 121.1° |
| C14 | C15 | H2 | 119.9° | 119.6° |
| C15 | C14 | H16 | 120.1° | 119.4° |
| C15 | C16 | C17 | 120.0° | 119.6° |
| C16 | C15 | H2 | 119.9° | 119.6° |
| C15 | C16 | H17 | 120.0° | 120.2° |
| C14 | C13 | C12 | 120.1° | 119.7° |
| C14 | C13 | H1 | 120.0° | 120.1° |
| C13 | C14 | H16 | 120.1° | 119.4° |
| C16 | C17 | C12 | 119.8° | 119.8° |
| C16 | C17 | C18 | 121.3° | 121.5° |
| C17 | C16 | H17 | 120.0° | 120.2° |
| C13 | C12 | C17 | 120.1° | 118.9° |
| C13 | C12 | N11 | 119.6° | 121.1° |
| C12 | C13 | H1 | 120.0° | 120.1° |
| C12 | C17 | C18 | 118.9° | 118.7° |
| C17 | C12 | N11 | 120.3° | 120.0° |
| C17 | C18 | C20 | 121.9° | 121.4° |
| C17 | C18 | C19 | 120.1° | 117.3° |
| O21 | C20 | C18 | 120.6° | 120.0° |
| O21 | C20 | N22 | 120.5° | 119.9° |
| C12 | N11 | C10 | 120.3° | 122.4° |
| C28 | C27 | N26 | 112.7° | 109.5° |
| C27 | C28 | C29 | 111.3° | 109.3° |
| C27 | C28 | H5 | 109.0° | 109.5° |
| C27 | C28 | H6 | 109.0° | 109.6° |
| C28 | C27 | H23 | 108.6° | 109.5° |
| C28 | C27 | H24 | 108.6° | 109.5° |
| C27 | N26 | C25 | 107.1° | 111.0° |
| C27 | N26 | C31 | 113.0° | 111.2° |
| N26 | C27 | H23 | 108.6° | 109.4° |
| N26 | C27 | H24 | 108.6° | 109.5° |
| C28 | C29 | C30 | 113.8° | 109.1° |
| C29 | C28 | H5 | 109.0° | 109.5° |
| C29 | C28 | H6 | 109.0° | 109.5° |
| C28 | C29 | H25 | 108.4° | 109.5° |
| C28 | C29 | H26 | 108.4° | 109.5° |
| C23 | C24 | C25 | 114.4° | 109.5° |
| C24 | C23 | N22 | 110.6° | 109.5° |
| C23 | C24 | H3 | 108.2° | 109.5° |
| C23 | C24 | H4 | 108.2° | 109.5° |
| C24 | C23 | H19 | 109.2° | 109.5° |
| C24 | C23 | H20 | 109.2° | 109.4° |
| C24 | C25 | N26 | 113.2° | 109.4° |
| C25 | C24 | H3 | 108.2° | 109.5° |
| C25 | C24 | H4 | 108.2° | 109.5° |
| C24 | C25 | H21 | 108.5° | 109.4° |
| C24 | C25 | H22 | 108.5° | 109.5° |
| C18 | C20 | N22 | 118.9° | 120.0° |
| C20 | C18 | C19 | 118.0° | 121.3° |
| C20 | N22 | C23 | 121.0° | 120.0° |
| C20 | N22 | H33 | 119.5° | 120.0° |
| N22 | C23 | H19 | 109.2° | 109.5° |
| N22 | C23 | H20 | 109.2° | 109.5° |
| C23 | N22 | H33 | 119.5° | 120.0° |
| C18 | C19 | C10 | 120.3° | 119.4° |
| C18 | C19 | H18 | 119.8° | 120.3° |
| C25 | N26 | C31 | 110.7° | 110.9° |
| N26 | C25 | H21 | 108.5° | 109.5° |
| N26 | C25 | H22 | 108.5° | 109.5° |
| N26 | C31 | C30 | 112.4° | 109.5° |
| N26 | C31 | C32 | 111.7° | 109.5° |
| N26 | C31 | H29 | 109.3° | 109.5° |
| N11 | C10 | C19 | 120.0° | 122.2° |
| N11 | C10 | C07 | 121.5° | 118.9° |
| C29 | C30 | C31 | 112.9° | 109.3° |
| C30 | C29 | H25 | 108.4° | 109.5° |
| C30 | C29 | H26 | 108.4° | 109.5° |
| C29 | C30 | H27 | 108.6° | 109.5° |
| C29 | C30 | H28 | 108.6° | 109.5° |
| C19 | C10 | C07 | 118.5° | 118.9° |
| C10 | C19 | H18 | 119.8° | 120.2° |
| C10 | C07 | C06 | 121.2° | 120.1° |
| C10 | C07 | C08 | 118.7° | 120.1° |
| C30 | C31 | C32 | 106.9° | 109.4° |
| C31 | C30 | H27 | 108.6° | 109.5° |
| C31 | C30 | H28 | 108.6° | 109.5° |
| C30 | C31 | H29 | 108.2° | 109.5° |
| C32 | C31 | H29 | 108.2° | 109.5° |
| C31 | C32 | H30 | 109.5° | 109.5° |
| C31 | C32 | H31 | 109.5° | 109.4° |
| C31 | C32 | H32 | 109.4° | 109.5° |
| C06 | C07 | C08 | 120.1° | 119.9° |
| C07 | C06 | C05 | 119.6° | 119.9° |
| C07 | C06 | H13 | 120.2° | 120.0° |
| C07 | C08 | C09 | 120.0° | 120.0° |
| C07 | C08 | H14 | 120.0° | 120.1° |
| C06 | C05 | C04 | 120.3° | 120.1° |
| C06 | C05 | H12 | 119.8° | 119.9° |
| C05 | C06 | H13 | 120.2° | 120.0° |
| C08 | C09 | C04 | 120.0° | 120.0° |
| C09 | C08 | H14 | 120.0° | 120.0° |
| C08 | C09 | H15 | 120.0° | 120.0° |
| C05 | C04 | C09 | 119.9° | 120.2° |
| C05 | C04 | O03 | 120.3° | 120.0° |
| C04 | C05 | H12 | 119.8° | 120.0° |
| C09 | C04 | O03 | 119.7° | 119.9° |
| C04 | C09 | H15 | 120.0° | 120.0° |
| C04 | O03 | C02 | 118.7° | 117.0° |
| O03 | C02 | C01 | 106.4° | 109.4° |
| O03 | C02 | H10 | 110.2° | 109.5° |
| O03 | C02 | H11 | 110.2° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C01 | C02 | H10 | 110.2° | 109.5° |
| C01 | C02 | H11 | 110.2° | 109.5° |
| H3 | C24 | H4 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.4° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C02 | H11 | 109.4° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.4° | 109.6° |
| H27 | C30 | H28 | 109.4° | 109.5° |
| H30 | C32 | H31 | 109.4° | 109.4° |
| H30 | C32 | H32 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | H16 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C15 | C14 | C13 | H1 | 179.6° | 179.9° |
| C14 | C15 | C16 | H17 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C15 | C16 | C17 | H17 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.0° | 0.1° |
| C15 | C16 | C17 | C18 | 180.0° | 179.7° |
| C16 | C15 | C14 | H16 | 179.7° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.3° | 0.0° |
| C14 | C13 | C12 | N11 | 179.8° | 180.0° |
| C13 | C14 | C15 | H2 | 179.7° | 180.0° |
| C16 | C17 | C12 | C13 | 0.1° | 0.0° |
| C16 | C17 | C12 | C18 | 180.0° | 179.8° |
| C16 | C17 | C12 | N11 | 180.0° | 179.9° |
| C16 | C17 | C18 | C20 | 0.3° | 0.2° |
| C16 | C17 | C18 | C19 | 179.9° | 179.9° |
| C17 | C16 | C15 | H2 | 179.9° | 179.9° |
| C13 | C12 | C17 | N11 | 179.9° | 179.9° |
| C13 | C12 | C17 | C18 | 179.9° | 179.8° |
| C13 | C12 | N11 | C10 | 180.0° | 180.0° |
| C12 | C13 | C14 | H16 | 179.6° | 179.9° |
| C12 | C17 | C18 | C20 | 179.7° | 180.0° |
| C12 | C17 | C18 | C19 | 0.1° | 0.2° |
| C17 | C12 | N11 | C10 | 0.1° | 0.0° |
| C17 | C12 | C13 | H1 | 179.7° | 180.0° |
| C12 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C18 | C20 | O21 | 70.3° | 6.2° |
| C18 | C17 | C12 | N11 | 0.0° | 0.2° |
| C17 | C18 | C20 | C19 | 179.6° | 179.7° |
| C17 | C18 | C20 | N22 | 110.5° | 173.8° |
| C17 | C18 | C19 | C10 | 0.3° | 0.0° |
| C18 | C17 | C16 | H17 | 0.0° | 0.1° |
| C17 | C18 | C19 | H18 | 179.7° | 180.0° |
| O21 | C20 | C18 | N22 | 179.2° | 180.0° |
| O21 | C20 | N22 | C23 | 0.2° | 0.0° |
| O21 | C20 | C18 | C19 | 110.1° | 174.0° |
| O21 | C20 | N22 | H33 | 179.8° | 180.0° |
| C12 | N11 | C10 | C19 | 0.2° | 0.2° |
| C12 | N11 | C10 | C07 | 179.9° | 180.0° |
| N11 | C12 | C13 | H1 | 0.2° | 0.1° |
| C28 | C27 | N26 | H23 | 120.5° | 120.0° |
| C28 | C27 | N26 | H24 | 120.5° | 120.0° |
| C27 | C28 | C29 | H5 | 120.3° | 119.9° |
| C27 | C28 | C29 | H6 | 120.3° | 120.0° |
| C28 | C27 | N26 | C25 | 174.7° | 174.2° |
| C28 | C27 | N26 | C31 | 52.6° | 61.8° |
| C27 | C28 | C29 | C30 | 51.6° | 57.7° |
| C27 | C28 | H5 | H6 | 119.2° | 120.1° |
| C28 | C27 | H23 | H24 | 118.5° | 120.0° |
| C27 | C28 | C29 | H25 | 69.0° | 62.2° |
| C27 | C28 | C29 | H26 | 172.3° | 177.6° |
| N26 | C27 | C28 | C29 | 52.5° | 59.2° |
| C27 | N26 | C25 | C24 | 95.0° | 65.7° |
| C27 | N26 | C25 | C31 | 123.6° | 124.1° |
| C27 | N26 | C31 | C30 | 50.3° | 61.8° |
| C27 | N26 | C31 | C32 | 170.4° | 178.2° |
| N26 | C27 | C28 | H5 | 172.8° | 179.1° |
| N26 | C27 | C28 | H6 | 67.7° | 60.8° |
| C27 | N26 | C25 | H21 | 144.5° | 174.4° |
| C27 | N26 | C25 | H22 | 25.6° | 54.3° |
| N26 | C27 | H23 | H24 | 118.5° | 120.0° |
| C27 | N26 | C31 | H29 | 69.9° | 58.3° |
| C28 | C29 | C30 | H25 | 120.7° | 119.9° |
| C28 | C29 | C30 | H26 | 120.6° | 119.9° |
| C28 | C29 | C30 | C31 | 50.4° | 57.7° |
| C29 | C28 | H5 | H6 | 119.1° | 120.1° |
| C29 | C28 | C27 | H23 | 173.0° | 179.2° |
| C29 | C28 | C27 | H24 | 67.9° | 60.8° |
| C28 | C29 | H25 | H26 | 118.0° | 120.2° |
| C28 | C29 | C30 | H27 | 170.9° | 177.6° |
| C28 | C29 | C30 | H28 | 70.1° | 62.3° |
| C23 | C24 | C25 | H3 | 120.7° | 120.0° |
| C23 | C24 | C25 | H4 | 120.7° | 120.0° |
| C24 | C23 | N22 | C20 | 143.2° | 180.0° |
| C24 | C23 | N22 | H19 | 120.1° | 120.0° |
| C24 | C23 | N22 | H20 | 120.2° | 120.0° |
| C23 | C24 | C25 | N26 | 41.6° | 180.0° |
| C23 | C24 | H3 | H4 | 117.8° | 120.0° |
| C24 | C23 | H19 | H20 | 119.5° | 120.0° |
| C23 | C24 | C25 | H21 | 79.0° | 60.0° |
| C23 | C24 | C25 | H22 | 162.1° | 60.0° |
| C24 | C23 | N22 | H33 | 36.8° | 0.0° |
| C25 | C24 | C23 | N22 | 128.9° | 180.0° |
| C24 | C25 | N26 | H21 | 120.6° | 119.9° |
| C24 | C25 | N26 | H22 | 120.6° | 120.0° |
| C24 | C25 | N26 | C31 | 141.5° | 170.2° |
| C25 | C24 | H3 | H4 | 117.8° | 120.1° |
| C25 | C24 | C23 | H19 | 8.8° | 60.0° |
| C25 | C24 | C23 | H20 | 110.9° | 60.0° |
| C24 | C25 | H21 | H22 | 118.3° | 120.0° |
| C18 | C20 | N22 | C23 | 179.4° | 180.0° |
| C20 | C18 | C19 | C10 | 179.9° | 179.8° |
| C20 | C18 | C19 | H18 | 0.1° | 0.2° |
| C18 | C20 | N22 | H33 | 0.6° | 0.0° |
| C20 | N22 | C23 | H33 | 180.0° | 180.0° |
| N22 | C20 | C18 | C19 | 69.1° | 6.0° |
| C20 | N22 | C23 | H19 | 96.7° | 60.0° |
| C20 | N22 | C23 | H20 | 23.0° | 60.1° |
| N22 | C23 | C24 | H3 | 8.2° | 60.0° |
| N22 | C23 | C24 | H4 | 110.4° | 60.0° |
| N22 | C23 | H19 | H20 | 119.5° | 120.0° |
| C18 | C19 | C10 | N11 | 0.3° | 0.2° |
| C18 | C19 | C10 | H18 | 180.0° | 180.0° |
| C18 | C19 | C10 | C07 | 179.8° | 180.0° |
| C25 | N26 | C31 | C30 | 170.4° | 174.2° |
| C25 | N26 | C31 | C32 | 69.5° | 54.2° |
| N26 | C25 | C24 | H3 | 162.3° | 60.1° |
| N26 | C25 | C24 | H4 | 79.2° | 60.0° |
| N26 | C25 | H21 | H22 | 118.3° | 120.1° |
| C25 | N26 | C27 | H23 | 64.8° | 54.2° |
| C25 | N26 | C27 | H24 | 54.2° | 65.8° |
| C25 | N26 | C31 | H29 | 50.2° | 65.8° |
| N26 | C31 | C30 | C29 | 48.8° | 59.2° |
| N26 | C31 | C30 | C32 | 122.9° | 120.0° |
| N26 | C31 | C30 | H29 | 120.8° | 120.1° |
| N26 | C31 | C32 | H29 | 120.3° | 120.0° |
| C31 | N26 | C25 | H21 | 20.9° | 50.3° |
| C31 | N26 | C25 | H22 | 98.0° | 69.8° |
| C31 | N26 | C27 | H23 | 173.0° | 178.2° |
| C31 | N26 | C27 | H24 | 67.9° | 58.2° |
| N26 | C31 | C30 | H27 | 169.3° | 179.1° |
| N26 | C31 | C30 | H28 | 71.7° | 60.8° |
| N26 | C31 | C32 | H30 | 180.0° | 54.0° |
| N26 | C31 | C32 | H31 | 60.0° | 65.9° |
| N26 | C31 | C32 | H32 | 60.0° | 174.1° |
| N11 | C10 | C19 | C07 | 179.8° | 179.8° |
| N11 | C10 | C07 | C06 | 4.7° | 0.3° |
| N11 | C10 | C07 | C08 | 175.3° | 179.7° |
| N11 | C10 | C19 | H18 | 179.7° | 179.8° |
| C29 | C30 | C31 | H27 | 120.5° | 119.9° |
| C29 | C30 | C31 | H28 | 120.5° | 120.0° |
| C29 | C30 | C31 | C32 | 171.6° | 179.2° |
| C30 | C29 | C28 | H5 | 171.9° | 177.6° |
| C30 | C29 | C28 | H6 | 68.6° | 62.3° |
| C30 | C29 | H25 | H26 | 118.0° | 120.1° |
| C29 | C30 | H27 | H28 | 118.4° | 120.1° |
| C29 | C30 | C31 | H29 | 72.0° | 60.8° |
| C19 | C10 | C07 | C06 | 175.5° | 180.0° |
| C19 | C10 | C07 | C08 | 4.5° | 0.1° |
| C10 | C07 | C06 | C08 | 180.0° | 180.0° |
| C10 | C07 | C06 | C05 | 179.7° | 180.0° |
| C10 | C07 | C08 | C09 | 179.8° | 179.8° |
| C10 | C07 | C06 | H13 | 0.3° | 0.0° |
| C10 | C07 | C08 | H14 | 0.2° | 0.0° |
| C07 | C10 | C19 | H18 | 0.2° | 0.0° |
| C30 | C31 | C32 | H29 | 116.3° | 120.0° |
| C31 | C30 | C29 | H25 | 70.3° | 62.2° |
| C31 | C30 | C29 | H26 | 171.0° | 177.6° |
| C31 | C30 | H27 | H28 | 118.4° | 120.1° |
| C30 | C31 | C32 | H30 | 56.6° | 65.9° |
| C30 | C31 | C32 | H31 | 63.3° | 174.1° |
| C30 | C31 | C32 | H32 | 176.7° | 54.1° |
| C32 | C31 | C30 | H27 | 67.8° | 60.9° |
| C32 | C31 | C30 | H28 | 51.1° | 59.2° |
| C31 | C32 | H30 | H31 | 120.0° | 120.0° |
| C31 | C32 | H30 | H32 | 120.0° | 120.1° |
| C31 | C32 | H31 | H32 | 120.0° | 120.0° |
| C07 | C06 | C05 | H13 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.3° |
| C07 | C06 | C05 | C04 | 1.5° | 0.0° |
| C07 | C06 | C05 | H12 | 178.5° | 179.9° |
| C06 | C07 | C08 | H14 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C07 | C08 | C09 | H14 | 180.0° | 179.7° |
| C07 | C08 | C09 | C04 | 1.3° | 0.5° |
| C08 | C07 | C06 | H13 | 179.7° | 180.0° |
| C07 | C08 | C09 | H15 | 178.7° | 180.0° |
| C06 | C05 | C04 | H12 | 180.0° | 179.9° |
| C06 | C05 | C04 | C09 | 2.6° | 0.3° |
| C06 | C05 | C04 | O03 | 178.6° | 180.0° |
| C08 | C09 | C04 | C05 | 2.5° | 0.6° |
| C08 | C09 | C04 | H15 | 180.0° | 179.5° |
| C08 | C09 | C04 | O03 | 178.5° | 179.8° |
| C05 | C04 | C09 | O03 | 176.0° | 179.7° |
| C05 | C04 | O03 | C02 | 83.8° | 180.0° |
| C04 | C05 | C06 | H13 | 178.5° | 179.9° |
| C05 | C04 | C09 | H15 | 177.5° | 179.9° |
| C09 | C04 | O03 | C02 | 100.2° | 0.3° |
| C09 | C04 | C05 | H12 | 177.4° | 179.8° |
| C04 | C09 | C08 | H14 | 178.7° | 179.7° |
| C04 | O03 | C02 | C01 | 175.8° | 180.0° |
| C04 | O03 | C02 | H10 | 56.3° | 60.0° |
| C04 | O03 | C02 | H11 | 64.6° | 60.0° |
| O03 | C04 | C05 | H12 | 1.4° | 0.1° |
| O03 | C04 | C09 | H15 | 1.4° | 0.3° |
| O03 | C02 | C01 | H10 | 119.5° | 120.0° |
| O03 | C02 | C01 | H11 | 119.5° | 120.0° |
| O03 | C02 | C01 | H7 | 180.0° | 180.0° |
| O03 | C02 | C01 | H8 | 60.0° | 60.0° |
| O03 | C02 | C01 | H9 | 60.0° | 60.0° |
| O03 | C02 | H10 | H11 | 121.4° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | H10 | H11 | 121.4° | 120.0° |
| H1 | C13 | C14 | H16 | 0.4° | 0.1° |
| H2 | C15 | C14 | H16 | 0.3° | 0.1° |
| H2 | C15 | C16 | H17 | 0.1° | 0.1° |
| H3 | C24 | C23 | H19 | 112.0° | 60.0° |
| H3 | C24 | C23 | H20 | 128.4° | 180.0° |
| H3 | C24 | C25 | H21 | 41.7° | 180.0° |
| H3 | C24 | C25 | H22 | 77.1° | 60.0° |
| H4 | C24 | C23 | H19 | 129.5° | 180.0° |
| H4 | C24 | C23 | H20 | 9.8° | 60.0° |
| H4 | C24 | C25 | H21 | 160.3° | 60.0° |
| H4 | C24 | C25 | H22 | 41.4° | 180.0° |
| H5 | C28 | C27 | H23 | 66.7° | 60.9° |
| H5 | C28 | C27 | H24 | 52.3° | 59.1° |
| H5 | C28 | C29 | H25 | 51.3° | 57.7° |
| H5 | C28 | C29 | H26 | 67.4° | 62.5° |
| H6 | C28 | C27 | H23 | 52.8° | 59.2° |
| H6 | C28 | C27 | H24 | 171.8° | 179.2° |
| H6 | C28 | C29 | H25 | 170.7° | 177.8° |
| H6 | C28 | C29 | H26 | 52.0° | 57.5° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H7 | C01 | C02 | H10 | 60.4° | 60.0° |
| H7 | C01 | C02 | H11 | 60.5° | 60.0° |
| H8 | C01 | C02 | H10 | 179.5° | 60.0° |
| H8 | C01 | C02 | H11 | 59.5° | 180.0° |
| H9 | C01 | C02 | H10 | 59.5° | NaN° |
| H9 | C01 | C02 | H11 | 179.5° | 60.0° |
| H12 | C05 | C06 | H13 | 1.5° | 0.0° |
| H14 | C08 | C09 | H15 | 1.3° | 0.2° |
| H19 | C23 | N22 | H33 | 83.3° | 120.0° |
| H20 | C23 | N22 | H33 | 157.0° | 120.0° |
| H25 | C29 | C30 | H27 | 50.2° | 57.7° |
| H25 | C29 | C30 | H28 | 169.2° | 177.8° |
| H26 | C29 | C30 | H27 | 68.4° | 62.5° |
| H26 | C29 | C30 | H28 | 50.5° | 57.6° |
| H27 | C30 | C31 | H29 | 48.5° | 59.1° |
| H28 | C30 | C31 | H29 | 167.5° | 179.2° |
| H29 | C31 | C32 | H30 | 59.7° | 174.0° |
| H29 | C31 | C32 | H31 | 179.7° | 54.1° |
| H29 | C31 | C32 | H32 | 60.3° | 65.9° |
| H30 | C32 | H31 | H32 | 120.0° | 120.0° |
