A1BDT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C3 | sing | 1.36Å | 1.36Å | |
| O37 | C4 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| O10 | C9 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | N11 | sing | 1.35Å | 1.33Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | N15 | sing | 1.47Å | 1.49Å | |
| N15 | C16 | sing | 1.47Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | N20 | sing | 1.47Å | 1.49Å | |
| N20 | C21 | sing | 1.47Å | 1.49Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | N24 | sing | 1.46Å | 1.46Å | |
| N24 | C25 | sing | 1.35Å | 1.33Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| C25 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | O36 | sing | 1.36Å | 1.36Å | |
| C32 | O35 | sing | 1.36Å | 1.36Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| C1 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| C5 | H31 | sing | 1.08Å | 1.08Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| N11 | H36 | sing | 0.97Å | 1.00Å | |
| N15 | H37 | sing | 1.01Å | 1.00Å | |
| N20 | H39 | sing | 1.01Å | 1.00Å | |
| O35 | H41 | sing | 0.97Å | 0.95Å | |
| O36 | H42 | sing | 0.97Å | 0.95Å | |
| O37 | H43 | sing | 0.97Å | 0.95Å | |
| O38 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C3 | C4 | 118.9° | 120.1° |
| O38 | C3 | C2 | 121.6° | 120.0° |
| C3 | O38 | H44 | 109.5° | 114.0° |
| O37 | C4 | C3 | 118.6° | 120.1° |
| O37 | C4 | C5 | 121.5° | 120.1° |
| C4 | O37 | H43 | 109.5° | 113.9° |
| C4 | C3 | C2 | 119.4° | 119.8° |
| C3 | C4 | C5 | 119.9° | 119.9° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C3 | C2 | H25 | 119.9° | 120.0° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C4 | C5 | H31 | 119.5° | 120.0° |
| C2 | C1 | C6 | 121.0° | 120.1° |
| C2 | C1 | H18 | 119.5° | 119.9° |
| C1 | C2 | H25 | 119.9° | 120.0° |
| C5 | C6 | C1 | 118.5° | 120.2° |
| C5 | C6 | C7 | 121.2° | 119.9° |
| C6 | C5 | H31 | 119.5° | 120.0° |
| C1 | C6 | C7 | 120.2° | 119.9° |
| C6 | C1 | H18 | 119.5° | 119.9° |
| C6 | C7 | C8 | 118.8° | 109.5° |
| C6 | C7 | H32 | 107.1° | 109.5° |
| C6 | C7 | H33 | 107.1° | 109.4° |
| C7 | C8 | C9 | 115.7° | 109.5° |
| C8 | C7 | H32 | 107.1° | 109.5° |
| C8 | C7 | H33 | 107.1° | 109.5° |
| C7 | C8 | H34 | 107.9° | 109.5° |
| C7 | C8 | H35 | 107.9° | 109.5° |
| O10 | C9 | C8 | 120.0° | 120.0° |
| O10 | C9 | N11 | 121.8° | 120.0° |
| C8 | C9 | N11 | 118.2° | 120.0° |
| C9 | C8 | H34 | 107.9° | 109.5° |
| C9 | C8 | H35 | 107.9° | 109.4° |
| C9 | N11 | C12 | 125.3° | 120.0° |
| C9 | N11 | H36 | 117.3° | 120.0° |
| N11 | C12 | C13 | 112.2° | 109.5° |
| N11 | C12 | H9 | 108.8° | 109.5° |
| N11 | C12 | H10 | 108.8° | 109.5° |
| C12 | N11 | H36 | 117.4° | 120.0° |
| C12 | C13 | C14 | 114.7° | 109.5° |
| C13 | C12 | H9 | 108.8° | 109.5° |
| C13 | C12 | H10 | 108.8° | 109.5° |
| C12 | C13 | H19 | 108.1° | 109.5° |
| C12 | C13 | H20 | 108.2° | 109.5° |
| C13 | C14 | N15 | 112.0° | 109.5° |
| C13 | C14 | H11 | 108.8° | 109.5° |
| C13 | C14 | H12 | 108.9° | 109.4° |
| C14 | C13 | H19 | 108.2° | 109.5° |
| C14 | C13 | H20 | 108.2° | 109.4° |
| C14 | N15 | C16 | 117.9° | 111.0° |
| N15 | C14 | H11 | 108.8° | 109.4° |
| N15 | C14 | H12 | 108.8° | 109.5° |
| C14 | N15 | H37 | 107.4° | 111.0° |
| N15 | C16 | C17 | 112.5° | 109.5° |
| N15 | C16 | H13 | 108.7° | 109.5° |
| N15 | C16 | H14 | 108.7° | 109.5° |
| C16 | N15 | H37 | 107.4° | 111.0° |
| C16 | C17 | C18 | 110.1° | 109.5° |
| C16 | C17 | H1 | 109.3° | 109.5° |
| C16 | C17 | H2 | 109.3° | 109.4° |
| C17 | C16 | H13 | 108.7° | 109.4° |
| C17 | C16 | H14 | 108.7° | 109.5° |
| C17 | C18 | C19 | 110.6° | 109.5° |
| C18 | C17 | H1 | 109.3° | 109.5° |
| C18 | C17 | H2 | 109.3° | 109.4° |
| C17 | C18 | H21 | 109.2° | 109.5° |
| C17 | C18 | H22 | 109.2° | 109.5° |
| C18 | C19 | N20 | 111.7° | 109.5° |
| C19 | C18 | H21 | 109.2° | 109.5° |
| C19 | C18 | H22 | 109.2° | 109.5° |
| C18 | C19 | H23 | 108.9° | 109.5° |
| C18 | C19 | H24 | 108.9° | 109.5° |
| C19 | N20 | C21 | 116.3° | 111.0° |
| N20 | C19 | H23 | 108.9° | 109.4° |
| N20 | C19 | H24 | 108.9° | 109.5° |
| C19 | N20 | H39 | 107.7° | 111.0° |
| N20 | C21 | C22 | 111.5° | 109.4° |
| N20 | C21 | H3 | 108.9° | 109.5° |
| N20 | C21 | H4 | 109.0° | 109.5° |
| C21 | N20 | H39 | 107.7° | 111.0° |
| C21 | C22 | C23 | 115.0° | 109.5° |
| C22 | C21 | H3 | 108.9° | 109.5° |
| C22 | C21 | H4 | 108.9° | 109.4° |
| C21 | C22 | H5 | 108.1° | 109.5° |
| C21 | C22 | H6 | 108.1° | 109.5° |
| C22 | C23 | N24 | 111.4° | 109.5° |
| C23 | C22 | H5 | 108.1° | 109.4° |
| C23 | C22 | H6 | 108.1° | 109.4° |
| C22 | C23 | H15 | 109.0° | 109.4° |
| C22 | C23 | H16 | 109.0° | 109.4° |
| C23 | N24 | C25 | 123.6° | 120.0° |
| N24 | C23 | H15 | 109.0° | 109.5° |
| N24 | C23 | H16 | 109.0° | 109.5° |
| C23 | N24 | H17 | 118.2° | 120.0° |
| N24 | C25 | O26 | 123.1° | 120.0° |
| N24 | C25 | C27 | 115.7° | 120.0° |
| C25 | N24 | H17 | 118.2° | 120.0° |
| O26 | C25 | C27 | 121.2° | 120.0° |
| C25 | C27 | C28 | 113.2° | 109.5° |
| C25 | C27 | H26 | 108.5° | 109.5° |
| C25 | C27 | H27 | 108.5° | 109.5° |
| C27 | C28 | C29 | 112.4° | 109.5° |
| C27 | C28 | H7 | 108.7° | 109.4° |
| C27 | C28 | H8 | 108.7° | 109.4° |
| C28 | C27 | H26 | 108.5° | 109.4° |
| C28 | C27 | H27 | 108.5° | 109.4° |
| C28 | C29 | C34 | 120.8° | 120.0° |
| C28 | C29 | C30 | 120.5° | 119.9° |
| C29 | C28 | H7 | 108.7° | 109.5° |
| C29 | C28 | H8 | 108.7° | 109.5° |
| C34 | C29 | C30 | 118.7° | 120.1° |
| C29 | C34 | C33 | 121.0° | 120.1° |
| C29 | C34 | H30 | 119.5° | 119.9° |
| C29 | C30 | C31 | 120.8° | 120.0° |
| C29 | C30 | H28 | 119.6° | 120.0° |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C34 | C33 | H29 | 119.9° | 119.9° |
| C33 | C34 | H30 | 119.5° | 120.0° |
| C30 | C31 | C32 | 119.9° | 119.9° |
| C30 | C31 | O36 | 121.0° | 120.1° |
| C31 | C30 | H28 | 119.6° | 119.9° |
| C33 | C32 | C31 | 119.5° | 119.9° |
| C33 | C32 | O35 | 120.9° | 120.0° |
| C32 | C33 | H29 | 119.9° | 120.0° |
| C32 | C31 | O36 | 119.2° | 120.1° |
| C31 | C32 | O35 | 119.6° | 120.1° |
| C31 | O36 | H42 | 109.5° | 114.0° |
| C32 | O35 | H41 | 109.5° | 114.0° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.4° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H32 | C7 | H33 | 109.5° | 109.5° |
| H34 | C8 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C3 | C4 | O37 | 1.3° | 0.1° |
| O38 | C3 | C4 | C2 | 179.5° | 179.9° |
| O38 | C3 | C4 | C5 | 179.4° | 180.0° |
| O38 | C3 | C2 | C1 | 179.4° | 180.0° |
| O38 | C3 | C2 | H25 | 0.6° | 0.0° |
| O37 | C4 | C3 | C5 | 179.3° | 179.8° |
| O37 | C4 | C3 | C2 | 179.1° | 179.9° |
| O37 | C4 | C5 | C6 | 179.2° | 179.9° |
| O37 | C4 | C5 | H31 | 0.8° | 0.1° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C4 | C3 | C2 | H25 | 179.9° | 179.9° |
| C3 | C4 | C5 | H31 | 180.0° | 179.9° |
| C3 | C4 | O37 | H43 | 180.0° | 90.1° |
| C4 | C3 | O38 | H44 | 180.0° | 90.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | H25 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C3 | C2 | C1 | H18 | 179.9° | 179.7° |
| C2 | C3 | O38 | H44 | 0.4° | 90.0° |
| C4 | C5 | C6 | H31 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.1° |
| C4 | C5 | C6 | C7 | 176.5° | 179.7° |
| C5 | C4 | O37 | H43 | 0.7° | 90.1° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C2 | C1 | C6 | H18 | 180.0° | 179.6° |
| C2 | C1 | C6 | C7 | 176.5° | 179.7° |
| C5 | C6 | C1 | C7 | 176.7° | 179.8° |
| C5 | C6 | C7 | C8 | 30.4° | 90.3° |
| C5 | C6 | C1 | H18 | 179.7° | 179.7° |
| C5 | C6 | C7 | H32 | 90.9° | 29.7° |
| C5 | C6 | C7 | H33 | 151.7° | 149.7° |
| C1 | C6 | C7 | C8 | 153.0° | 90.0° |
| C6 | C1 | C2 | H25 | 179.9° | 180.0° |
| C1 | C6 | C5 | H31 | 179.9° | 179.9° |
| C1 | C6 | C7 | H32 | 85.7° | 150.1° |
| C1 | C6 | C7 | H33 | 31.7° | 30.0° |
| C6 | C7 | C8 | H32 | 121.3° | 120.0° |
| C6 | C7 | C8 | H33 | 121.3° | 120.0° |
| C6 | C7 | C8 | C9 | 40.7° | 180.0° |
| C7 | C6 | C1 | H18 | 3.6° | 0.0° |
| C7 | C6 | C5 | H31 | 3.5° | 0.3° |
| C6 | C7 | H32 | H33 | 115.8° | 120.0° |
| C6 | C7 | C8 | H34 | 80.2° | 60.0° |
| C6 | C7 | C8 | H35 | 161.6° | 60.0° |
| C7 | C8 | C9 | O10 | 108.1° | 0.1° |
| C7 | C8 | C9 | H34 | 120.9° | 120.0° |
| C7 | C8 | C9 | H35 | 120.9° | 120.0° |
| C7 | C8 | C9 | N11 | 72.1° | 180.0° |
| C8 | C7 | H32 | H33 | 115.8° | 120.0° |
| C7 | C8 | H34 | H35 | 117.2° | 120.0° |
| O10 | C9 | C8 | N11 | 179.8° | 179.9° |
| O10 | C9 | N11 | C12 | 167.5° | 0.1° |
| O10 | C9 | C8 | H34 | 12.8° | 120.0° |
| O10 | C9 | C8 | H35 | 130.9° | 120.1° |
| O10 | C9 | N11 | H36 | 12.5° | 180.0° |
| C8 | C9 | N11 | C12 | 12.3° | 180.0° |
| C9 | C8 | C7 | H32 | 162.0° | 60.0° |
| C9 | C8 | C7 | H33 | 80.6° | 60.0° |
| C9 | C8 | H34 | H35 | 117.2° | 120.0° |
| C8 | C9 | N11 | H36 | 167.7° | 0.1° |
| C9 | N11 | C12 | H36 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 177.9° | 180.0° |
| C9 | N11 | C12 | H9 | 61.7° | 60.0° |
| C9 | N11 | C12 | H10 | 57.5° | 60.0° |
| N11 | C9 | C8 | H34 | 167.1° | 60.0° |
| N11 | C9 | C8 | H35 | 48.9° | 60.0° |
| N11 | C12 | C13 | H9 | 120.4° | 120.0° |
| N11 | C12 | C13 | H10 | 120.4° | 120.0° |
| N11 | C12 | C13 | C14 | 47.5° | 180.0° |
| N11 | C12 | H9 | H10 | 118.7° | 120.0° |
| N11 | C12 | C13 | H19 | 168.3° | 60.0° |
| N11 | C12 | C13 | H20 | 73.2° | 60.0° |
| C12 | C13 | C14 | H19 | 120.8° | 120.0° |
| C12 | C13 | C14 | H20 | 120.8° | 120.0° |
| C12 | C13 | C14 | N15 | 52.2° | 180.0° |
| C13 | C12 | H9 | H10 | 118.8° | 120.0° |
| C12 | C13 | C14 | H11 | 172.6° | 60.0° |
| C12 | C13 | C14 | H12 | 68.2° | 60.0° |
| C12 | C13 | H19 | H20 | 117.6° | 120.0° |
| C13 | C12 | N11 | H36 | 2.1° | 0.0° |
| C13 | C14 | N15 | H11 | 120.4° | 120.0° |
| C13 | C14 | N15 | H12 | 120.4° | 119.9° |
| C13 | C14 | N15 | C16 | 51.9° | 180.0° |
| C14 | C13 | C12 | H9 | 72.9° | 60.0° |
| C14 | C13 | C12 | H10 | 168.0° | 60.0° |
| C13 | C14 | H11 | H12 | 118.9° | 120.0° |
| C14 | C13 | H19 | H20 | 117.7° | 120.0° |
| C13 | C14 | N15 | H37 | 173.1° | 56.0° |
| C14 | N15 | C16 | H37 | 121.2° | 123.9° |
| C14 | N15 | C16 | C17 | 53.9° | 180.0° |
| N15 | C14 | H11 | H12 | 118.8° | 120.0° |
| C14 | N15 | C16 | H13 | 174.4° | 60.0° |
| C14 | N15 | C16 | H14 | 66.6° | 60.0° |
| N15 | C14 | C13 | H19 | 68.5° | 60.0° |
| N15 | C14 | C13 | H20 | 173.0° | 60.0° |
| N15 | C16 | C17 | H13 | 120.4° | 120.0° |
| N15 | C16 | C17 | H14 | 120.5° | 120.1° |
| N15 | C16 | C17 | C18 | 70.4° | 180.0° |
| N15 | C16 | C17 | H1 | 169.5° | 60.0° |
| N15 | C16 | C17 | H2 | 49.7° | 60.0° |
| C16 | N15 | C14 | H11 | 68.5° | 60.0° |
| C16 | N15 | C14 | H12 | 172.3° | 60.0° |
| N15 | C16 | H13 | H14 | 118.6° | 120.0° |
| C16 | C17 | C18 | H1 | 120.1° | 120.1° |
| C16 | C17 | C18 | H2 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 85.1° | 180.0° |
| C16 | C17 | H1 | H2 | 119.7° | 120.0° |
| C17 | C16 | H13 | H14 | 118.6° | 119.9° |
| C16 | C17 | C18 | H21 | 154.7° | 59.9° |
| C16 | C17 | C18 | H22 | 35.0° | 60.0° |
| C17 | C16 | N15 | H37 | 67.3° | 56.0° |
| C17 | C18 | C19 | H21 | 120.2° | 120.0° |
| C17 | C18 | C19 | H22 | 120.2° | 120.0° |
| C17 | C18 | C19 | N20 | 88.3° | 180.0° |
| C18 | C17 | H1 | H2 | 119.7° | 120.0° |
| C18 | C17 | C16 | H13 | 50.0° | 60.0° |
| C18 | C17 | C16 | H14 | 169.1° | 59.9° |
| C17 | C18 | H21 | H22 | 119.5° | 120.0° |
| C17 | C18 | C19 | H23 | 151.4° | 60.0° |
| C17 | C18 | C19 | H24 | 32.1° | 60.0° |
| C18 | C19 | N20 | H23 | 120.3° | 120.0° |
| C18 | C19 | N20 | H24 | 120.3° | 120.0° |
| C18 | C19 | N20 | C21 | 163.1° | 180.0° |
| C19 | C18 | C17 | H1 | 35.0° | 60.0° |
| C19 | C18 | C17 | H2 | 154.8° | 60.0° |
| C19 | C18 | H21 | H22 | 119.5° | 120.0° |
| C18 | C19 | H23 | H24 | 119.0° | 120.0° |
| C18 | C19 | N20 | H39 | 76.0° | 56.1° |
| C19 | N20 | C21 | H39 | 121.0° | 123.9° |
| C19 | N20 | C21 | C22 | 74.4° | 180.0° |
| C19 | N20 | C21 | H3 | 45.9° | 60.0° |
| C19 | N20 | C21 | H4 | 165.3° | 60.1° |
| N20 | C19 | C18 | H21 | 31.9° | 60.0° |
| N20 | C19 | C18 | H22 | 151.6° | 60.0° |
| N20 | C19 | H23 | H24 | 119.0° | 120.0° |
| N20 | C21 | C22 | H3 | 120.3° | 120.0° |
| N20 | C21 | C22 | H4 | 120.3° | 120.0° |
| N20 | C21 | C22 | C23 | 158.1° | 180.0° |
| N20 | C21 | H3 | H4 | 119.1° | 120.1° |
| N20 | C21 | C22 | H5 | 37.3° | 60.0° |
| N20 | C21 | C22 | H6 | 81.1° | 60.0° |
| C21 | N20 | C19 | H23 | 42.8° | 60.0° |
| C21 | N20 | C19 | H24 | 76.6° | 60.0° |
| C21 | C22 | C23 | H5 | 120.8° | 120.0° |
| C21 | C22 | C23 | H6 | 120.8° | 120.0° |
| C21 | C22 | C23 | N24 | 57.1° | 180.0° |
| C22 | C21 | H3 | H4 | 119.0° | 120.0° |
| C21 | C22 | H5 | H6 | 117.5° | 120.1° |
| C21 | C22 | C23 | H15 | 177.4° | 60.0° |
| C21 | C22 | C23 | H16 | 63.1° | 60.0° |
| C22 | C21 | N20 | H39 | 164.7° | 56.1° |
| C22 | C23 | N24 | H15 | 120.3° | 120.0° |
| C22 | C23 | N24 | H16 | 120.3° | 120.0° |
| C22 | C23 | N24 | C25 | 109.7° | 180.0° |
| C23 | C22 | C21 | H3 | 81.6° | 60.0° |
| C23 | C22 | C21 | H4 | 37.8° | 60.0° |
| C23 | C22 | H5 | H6 | 117.5° | 119.9° |
| C22 | C23 | H15 | H16 | 119.1° | 119.9° |
| C22 | C23 | N24 | H17 | 70.3° | 0.1° |
| C23 | N24 | C25 | H17 | 180.0° | 179.9° |
| C23 | N24 | C25 | O26 | 3.6° | 0.0° |
| C23 | N24 | C25 | C27 | 176.6° | 180.0° |
| N24 | C23 | C22 | H5 | 63.7° | 60.0° |
| N24 | C23 | C22 | H6 | 178.0° | 60.0° |
| N24 | C23 | H15 | H16 | 119.1° | 120.1° |
| N24 | C25 | O26 | C27 | 179.8° | 180.0° |
| N24 | C25 | C27 | C28 | 49.2° | 180.0° |
| C25 | N24 | C23 | H15 | 130.0° | 60.1° |
| C25 | N24 | C23 | H16 | 10.6° | 60.0° |
| N24 | C25 | C27 | H26 | 169.8° | 60.0° |
| N24 | C25 | C27 | H27 | 71.3° | 60.0° |
| O26 | C25 | C27 | C28 | 130.6° | 0.0° |
| O26 | C25 | N24 | H17 | 176.4° | 180.0° |
| O26 | C25 | C27 | H26 | 10.0° | 120.0° |
| O26 | C25 | C27 | H27 | 108.9° | 120.0° |
| C25 | C27 | C28 | H26 | 120.5° | 120.0° |
| C25 | C27 | C28 | H27 | 120.6° | 120.0° |
| C25 | C27 | C28 | C29 | 53.4° | 180.0° |
| C25 | C27 | C28 | H7 | 173.8° | 60.0° |
| C25 | C27 | C28 | H8 | 67.1° | 60.0° |
| C27 | C25 | N24 | H17 | 3.4° | 0.1° |
| C25 | C27 | H26 | H27 | 118.3° | 120.1° |
| C27 | C28 | C29 | H7 | 120.4° | 119.9° |
| C27 | C28 | C29 | H8 | 120.5° | 120.0° |
| C27 | C28 | C29 | C34 | 124.5° | 90.0° |
| C27 | C28 | C29 | C30 | 54.5° | 89.2° |
| C27 | C28 | H7 | H8 | 118.6° | 119.9° |
| C28 | C27 | H26 | H27 | 118.3° | 120.0° |
| C28 | C29 | C34 | C30 | 179.0° | 179.2° |
| C28 | C29 | C34 | C33 | 179.1° | 180.0° |
| C28 | C29 | C30 | C31 | 179.0° | 179.8° |
| C29 | C28 | H7 | H8 | 118.7° | 120.1° |
| C29 | C28 | C27 | H26 | 67.2° | 60.0° |
| C29 | C28 | C27 | H27 | 173.9° | 60.0° |
| C28 | C29 | C30 | H28 | 1.0° | 0.3° |
| C28 | C29 | C34 | H30 | 0.9° | 0.8° |
| C29 | C34 | C33 | H30 | 180.0° | 179.1° |
| C34 | C29 | C30 | C31 | 0.0° | 0.6° |
| C29 | C34 | C33 | C32 | 0.1° | 0.6° |
| C34 | C29 | C28 | H7 | 115.0° | 29.9° |
| C34 | C29 | C28 | H8 | 4.1° | 150.0° |
| C34 | C29 | C30 | H28 | 180.0° | 179.4° |
| C29 | C34 | C33 | H29 | 179.9° | 179.4° |
| C30 | C29 | C34 | C33 | 0.0° | 0.9° |
| C29 | C30 | C31 | H28 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | O36 | 179.5° | 179.7° |
| C30 | C29 | C28 | H7 | 65.9° | 150.9° |
| C30 | C29 | C28 | H8 | 174.9° | 30.8° |
| C30 | C29 | C34 | H30 | 180.0° | 180.0° |
| C34 | C33 | C32 | H29 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.0° | 0.0° |
| C34 | C33 | C32 | O35 | 179.5° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.3° |
| C30 | C31 | C32 | O36 | 179.6° | 179.7° |
| C30 | C31 | C32 | O35 | 179.6° | 179.7° |
| C30 | C31 | O36 | H42 | 180.0° | 89.7° |
| C33 | C32 | C31 | O35 | 179.6° | 180.0° |
| C33 | C32 | C31 | O36 | 179.6° | 180.0° |
| C32 | C33 | C34 | H30 | 179.9° | 179.7° |
| C33 | C32 | O35 | H41 | 180.0° | 90.0° |
| C32 | C31 | C30 | H28 | 179.9° | 180.0° |
| C31 | C32 | C33 | H29 | 179.9° | 180.0° |
| C31 | C32 | O35 | H41 | 0.5° | 90.0° |
| C32 | C31 | O36 | H42 | 0.4° | 90.0° |
| O36 | C31 | C32 | O35 | 0.0° | 0.0° |
| O36 | C31 | C30 | H28 | 0.4° | 0.3° |
| O35 | C32 | C33 | H29 | 0.5° | 0.0° |
| H1 | C17 | C16 | H13 | 70.1° | 60.1° |
| H1 | C17 | C16 | H14 | 49.0° | 180.0° |
| H1 | C17 | C18 | H21 | 85.2° | 180.0° |
| H1 | C17 | C18 | H22 | 155.2° | 60.1° |
| H2 | C17 | C16 | H13 | 170.1° | 180.0° |
| H2 | C17 | C16 | H14 | 70.8° | 60.1° |
| H2 | C17 | C18 | H21 | 34.6° | 60.0° |
| H2 | C17 | C18 | H22 | 85.1° | 180.0° |
| H3 | C21 | C22 | H5 | 157.6° | 60.0° |
| H3 | C21 | C22 | H6 | 39.2° | 180.0° |
| H3 | C21 | N20 | H39 | 75.1° | 63.9° |
| H4 | C21 | C22 | H5 | 83.0° | 180.0° |
| H4 | C21 | C22 | H6 | 158.6° | 60.0° |
| H4 | C21 | N20 | H39 | 44.4° | 176.0° |
| H5 | C22 | C23 | H15 | 56.6° | 180.0° |
| H5 | C22 | C23 | H16 | 176.0° | 60.0° |
| H6 | C22 | C23 | H15 | 61.7° | 60.0° |
| H6 | C22 | C23 | H16 | 57.7° | 180.0° |
| H7 | C28 | C27 | H26 | 53.3° | 60.0° |
| H7 | C28 | C27 | H27 | 65.7° | 180.0° |
| H8 | C28 | C27 | H26 | 172.4° | 180.0° |
| H8 | C28 | C27 | H27 | 53.5° | 60.0° |
| H9 | C12 | C13 | H19 | 47.9° | 60.0° |
| H9 | C12 | C13 | H20 | 166.3° | 180.0° |
| H9 | C12 | N11 | H36 | 118.3° | 120.0° |
| H10 | C12 | C13 | H19 | 71.3° | 180.0° |
| H10 | C12 | C13 | H20 | 47.2° | 60.0° |
| H10 | C12 | N11 | H36 | 122.5° | 120.0° |
| H11 | C14 | C13 | H19 | 51.8° | 180.0° |
| H11 | C14 | C13 | H20 | 66.6° | 60.0° |
| H11 | C14 | N15 | H37 | 52.8° | 176.1° |
| H12 | C14 | C13 | H19 | 171.1° | 60.0° |
| H12 | C14 | C13 | H20 | 52.6° | 180.0° |
| H12 | C14 | N15 | H37 | 66.5° | 63.9° |
| H13 | C16 | N15 | H37 | 53.1° | 64.0° |
| H14 | C16 | N15 | H37 | 172.2° | 176.1° |
| H15 | C23 | N24 | H17 | 50.0° | 120.0° |
| H16 | C23 | N24 | H17 | 169.4° | 119.9° |
| H18 | C1 | C2 | H25 | 0.1° | 0.3° |
| H21 | C18 | C19 | H23 | 88.4° | 180.0° |
| H21 | C18 | C19 | H24 | 152.2° | 60.0° |
| H22 | C18 | C19 | H23 | 31.2° | 60.0° |
| H22 | C18 | C19 | H24 | 88.1° | 180.0° |
| H23 | C19 | N20 | H39 | 163.7° | 176.1° |
| H24 | C19 | N20 | H39 | 44.4° | 64.0° |
| H29 | C33 | C34 | H30 | 0.1° | 0.3° |
| H32 | C7 | C8 | H34 | 41.1° | 180.0° |
| H32 | C7 | C8 | H35 | 77.0° | 60.0° |
| H33 | C7 | C8 | H34 | 158.5° | 60.0° |
| H33 | C7 | C8 | H35 | 40.3° | 180.0° |
