5AH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C47 | sing | 1.53Å | 1.57Å | |
| C2 | N3 | doub | 1.32Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | C37 | sing | 1.48Å | 1.50Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | O11 | sing | 1.43Å | 1.46Å | |
| C8 | C12 | sing | 1.53Å | 1.58Å | |
| C8 | C19 | sing | 1.51Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | N32 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C13 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | N20 | sing | 1.35Å | 1.36Å | |
| C19 | O31 | doub | 1.21Å | 1.22Å | |
| N20 | C21 | sing | 1.46Å | 1.47Å | |
| C21 | C22 | sing | 1.54Å | 1.57Å | |
| C21 | C30 | sing | 1.51Å | 1.52Å | |
| C22 | O23 | sing | 1.43Å | 1.46Å | |
| C22 | C24 | sing | 1.54Å | 1.55Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.43Å | Aromatic |
| N32 | C33 | sing | 1.47Å | 1.49Å | |
| N32 | N40 | sing | 1.37Å | 1.54Å | |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| C34 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.43Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.43Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| N40 | C41 | sing | 1.35Å | 1.36Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C41 | O50 | doub | 1.21Å | 1.24Å | |
| C42 | N51 | sing | 1.47Å | 1.46Å | |
| C42 | C47 | sing | 1.53Å | 1.59Å | |
| N51 | C43 | sing | 1.35Å | 1.34Å | |
| C43 | O44 | sing | 1.35Å | 1.35Å | |
| C43 | O46 | doub | 1.22Å | 1.23Å | |
| O44 | C45 | sing | 1.45Å | 1.44Å | |
| C47 | C48 | sing | 1.53Å | 1.56Å | |
| C47 | C49 | sing | 1.53Å | 1.57Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N40 | H40 | sing | 0.97Å | 1.00Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| N51 | H51 | sing | 0.97Å | 1.00Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C47 | C42 | 113.8° | 109.4° |
| C1 | C47 | C48 | 108.1° | 109.5° |
| C1 | C47 | C49 | 107.1° | 109.5° |
| C47 | C1 | H11C | 109.5° | 109.4° |
| C47 | C1 | H12C | 109.4° | 109.4° |
| C47 | C1 | H13C | 109.4° | 109.5° |
| N3 | C2 | C7 | 121.0° | 120.9° |
| C2 | N3 | C4 | 121.8° | 121.6° |
| N3 | C2 | H2 | 119.5° | 119.6° |
| C2 | C7 | C6 | 120.0° | 119.4° |
| C7 | C2 | H2 | 119.5° | 119.6° |
| C2 | C7 | H7 | 120.0° | 120.3° |
| N3 | C4 | C5 | 117.7° | 120.5° |
| N3 | C4 | C37 | 119.4° | 119.8° |
| C5 | C4 | C37 | 122.9° | 119.7° |
| C4 | C5 | C6 | 119.3° | 119.1° |
| C4 | C5 | H5 | 120.4° | 120.5° |
| C4 | C37 | C36 | 121.1° | 120.1° |
| C4 | C37 | C38 | 120.1° | 120.1° |
| C5 | C6 | C7 | 120.3° | 118.5° |
| C6 | C5 | H5 | 120.4° | 120.5° |
| C5 | C6 | H6 | 119.9° | 120.7° |
| C6 | C7 | H7 | 120.0° | 120.3° |
| C7 | C6 | H6 | 119.8° | 120.8° |
| C9 | C8 | O11 | 108.5° | 109.5° |
| C9 | C8 | C12 | 110.3° | 109.5° |
| C9 | C8 | C19 | 113.1° | 109.4° |
| C8 | C9 | C10 | 114.7° | 109.4° |
| C8 | C9 | H91C | 107.7° | 109.5° |
| C8 | C9 | H92C | 106.6° | 109.4° |
| O11 | C8 | C12 | 107.6° | 109.5° |
| O11 | C8 | C19 | 109.9° | 109.5° |
| C8 | O11 | H11 | 109.5° | 114.0° |
| C12 | C8 | C19 | 107.3° | 109.4° |
| C8 | C12 | C13 | 116.5° | 109.5° |
| C8 | C12 | H121 | 107.2° | 109.4° |
| C8 | C12 | H122 | 105.5° | 109.5° |
| C8 | C19 | N20 | 117.5° | 120.0° |
| C8 | C19 | O31 | 120.6° | 120.0° |
| C9 | C10 | N32 | 112.2° | 109.5° |
| C10 | C9 | H91C | 107.8° | 109.5° |
| C10 | C9 | H92C | 106.5° | 109.5° |
| C9 | C10 | H101 | 108.6° | 109.5° |
| C9 | C10 | H102 | 107.9° | 109.5° |
| C10 | N32 | C33 | 119.9° | 111.0° |
| C10 | N32 | N40 | 111.4° | 111.0° |
| N32 | C10 | H101 | 108.6° | 109.5° |
| N32 | C10 | H102 | 108.0° | 109.5° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C12 | C13 | C18 | 120.7° | 120.0° |
| C13 | C12 | H121 | 107.2° | 109.4° |
| C13 | C12 | H122 | 105.5° | 109.5° |
| C14 | C13 | C18 | 118.9° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.1° |
| C13 | C18 | C17 | 120.3° | 120.0° |
| C13 | C18 | H18 | 119.9° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | H14 | 119.7° | 119.9° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| N20 | C19 | O31 | 121.9° | 120.0° |
| C19 | N20 | C21 | 121.4° | 120.0° |
| C19 | N20 | H20 | 119.3° | 120.0° |
| N20 | C21 | C22 | 116.4° | 110.3° |
| N20 | C21 | C30 | 115.9° | 110.3° |
| C21 | N20 | H20 | 119.3° | 120.0° |
| N20 | C21 | H21 | 97.4° | 110.2° |
| C22 | C21 | C30 | 101.6° | 105.2° |
| C21 | C22 | O23 | 113.8° | 110.8° |
| C21 | C22 | C24 | 107.0° | 102.4° |
| C22 | C21 | H21 | 112.8° | 110.3° |
| C21 | C22 | H22 | 107.9° | 110.9° |
| C21 | C30 | C25 | 110.6° | 109.8° |
| C21 | C30 | C29 | 128.8° | 130.4° |
| C30 | C21 | H21 | 113.3° | 110.4° |
| O23 | C22 | C24 | 108.4° | 110.8° |
| O23 | C22 | H22 | 106.5° | 110.7° |
| C22 | O23 | H23 | 109.5° | 114.0° |
| C22 | C24 | C25 | 101.9° | 105.2° |
| C24 | C22 | H22 | 113.3° | 111.0° |
| C22 | C24 | H241 | 112.1° | 110.3° |
| C22 | C24 | H242 | 113.7° | 110.3° |
| C24 | C25 | C26 | 127.5° | 130.4° |
| C24 | C25 | C30 | 111.1° | 109.7° |
| C25 | C24 | H241 | 112.1° | 110.3° |
| C25 | C24 | H242 | 113.7° | 110.2° |
| C26 | C25 | C30 | 121.4° | 119.8° |
| C25 | C26 | C27 | 118.3° | 120.2° |
| C25 | C26 | H26 | 120.9° | 119.9° |
| C25 | C30 | C29 | 120.6° | 119.8° |
| C26 | C27 | C28 | 120.6° | 119.9° |
| C27 | C26 | H26 | 120.9° | 119.9° |
| C26 | C27 | H27 | 119.7° | 120.0° |
| C27 | C28 | C29 | 120.7° | 119.9° |
| C28 | C27 | H27 | 119.7° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.1° |
| C28 | C29 | C30 | 118.4° | 120.2° |
| C29 | C28 | H28 | 119.6° | 120.0° |
| C28 | C29 | H29 | 120.8° | 119.9° |
| C30 | C29 | H29 | 120.8° | 119.8° |
| C33 | N32 | N40 | 108.5° | 111.0° |
| N32 | C33 | C34 | 109.3° | 109.5° |
| N32 | C33 | H331 | 109.5° | 109.5° |
| N32 | C33 | H332 | 109.6° | 109.5° |
| N32 | N40 | C41 | 120.7° | 120.0° |
| N32 | N40 | H40 | 119.7° | 120.0° |
| C33 | C34 | C35 | 119.7° | 119.8° |
| C33 | C34 | C39 | 120.7° | 119.9° |
| C34 | C33 | H331 | 109.6° | 109.5° |
| C34 | C33 | H332 | 109.6° | 109.4° |
| C35 | C34 | C39 | 119.6° | 120.3° |
| C34 | C35 | C36 | 120.2° | 120.1° |
| C34 | C35 | H35 | 119.9° | 120.0° |
| C34 | C39 | C38 | 120.2° | 120.1° |
| C34 | C39 | H39 | 119.9° | 119.9° |
| C35 | C36 | C37 | 120.7° | 119.9° |
| C36 | C35 | H35 | 119.9° | 119.9° |
| C35 | C36 | H36 | 119.7° | 120.1° |
| C36 | C37 | C38 | 118.8° | 119.7° |
| C37 | C36 | H36 | 119.7° | 120.1° |
| C37 | C38 | C39 | 120.5° | 119.9° |
| C37 | C38 | H38 | 119.7° | 120.1° |
| C38 | C39 | H39 | 119.9° | 120.0° |
| C39 | C38 | H38 | 119.7° | 120.0° |
| N40 | C41 | C42 | 119.9° | 120.0° |
| N40 | C41 | O50 | 120.2° | 120.0° |
| C41 | N40 | H40 | 119.7° | 120.0° |
| C42 | C41 | O50 | 119.9° | 120.0° |
| C41 | C42 | N51 | 102.9° | 109.5° |
| C41 | C42 | C47 | 116.6° | 109.4° |
| C41 | C42 | H42 | 109.9° | 109.5° |
| N51 | C42 | C47 | 111.3° | 109.4° |
| C42 | N51 | C43 | 121.6° | 120.0° |
| N51 | C42 | H42 | 115.4° | 109.5° |
| C42 | N51 | H51 | 119.2° | 120.0° |
| C42 | C47 | C48 | 110.6° | 109.5° |
| C42 | C47 | C49 | 108.4° | 109.4° |
| C47 | C42 | H42 | 101.3° | 109.5° |
| N51 | C43 | O44 | 110.7° | 120.0° |
| N51 | C43 | O46 | 124.2° | 120.0° |
| C43 | N51 | H51 | 119.2° | 120.0° |
| O44 | C43 | O46 | 125.0° | 120.0° |
| C43 | O44 | C45 | 116.2° | 117.0° |
| O44 | C45 | H451 | 109.5° | 109.4° |
| O44 | C45 | H452 | 109.4° | 109.5° |
| O44 | C45 | H453 | 109.4° | 109.4° |
| C48 | C47 | C49 | 108.7° | 109.5° |
| C47 | C48 | H481 | 109.5° | 109.4° |
| C47 | C48 | H482 | 109.4° | 109.5° |
| C47 | C48 | H483 | 109.5° | 109.5° |
| C47 | C49 | H491 | 109.5° | 109.5° |
| C47 | C49 | H492 | 109.5° | 109.5° |
| C47 | C49 | H493 | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H91C | C9 | H92C | 113.7° | 109.5° |
| H121 | C12 | H122 | 115.2° | 109.5° |
| H101 | C10 | H102 | 111.7° | 109.5° |
| H241 | C24 | H242 | 103.8° | 110.4° |
| H331 | C33 | H332 | 109.3° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 109.5° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.4° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H491 | C49 | H493 | 109.4° | 109.5° |
| H492 | C49 | H493 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C47 | C42 | C41 | 68.2° | 62.8° |
| C1 | C47 | C42 | N51 | 49.5° | 177.3° |
| C1 | C47 | C42 | C48 | 121.9° | 120.0° |
| C1 | C47 | C42 | C49 | 119.0° | 120.0° |
| C1 | C47 | C48 | C49 | 116.0° | 120.1° |
| C47 | C1 | H11C | H12C | 120.0° | 119.9° |
| C47 | C1 | H11C | H13C | 120.0° | 120.0° |
| C47 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C47 | C42 | H42 | 172.6° | 57.3° |
| C1 | C47 | C48 | H481 | 46.9° | 60.0° |
| C1 | C47 | C48 | H482 | 166.9° | 180.0° |
| C1 | C47 | C48 | H483 | 73.1° | 59.9° |
| C1 | C47 | C49 | H491 | 87.1° | 60.0° |
| C1 | C47 | C49 | H492 | 152.9° | 180.0° |
| C1 | C47 | C49 | H493 | 32.8° | 60.0° |
| N3 | C2 | C7 | H2 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | C37 | 179.8° | 180.0° |
| N3 | C2 | C7 | C6 | 0.0° | 0.0° |
| N3 | C2 | C7 | H7 | 180.0° | 180.0° |
| C7 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | H6 | 180.0° | 180.0° |
| N3 | C4 | C5 | C37 | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C37 | C36 | 150.7° | 0.0° |
| N3 | C4 | C37 | C38 | 29.1° | 180.0° |
| C4 | N3 | C2 | H2 | 180.0° | 179.7° |
| N3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C37 | C36 | 29.2° | 180.0° |
| C5 | C4 | C37 | C38 | 151.0° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C37 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | C37 | C36 | C35 | 180.0° | 179.9° |
| C4 | C37 | C36 | C38 | 179.8° | 179.9° |
| C4 | C37 | C38 | C39 | 179.7° | 179.8° |
| C37 | C4 | C5 | H5 | 0.2° | 0.0° |
| C4 | C37 | C36 | H36 | 0.0° | 0.0° |
| C4 | C37 | C38 | H38 | 0.3° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C7 | C2 | H2 | 180.0° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C9 | C8 | O11 | C12 | 119.3° | 120.0° |
| C9 | C8 | O11 | C19 | 124.1° | 120.0° |
| C9 | C8 | C12 | C19 | 123.6° | 120.0° |
| C8 | C9 | C10 | H91C | 120.0° | 120.0° |
| C8 | C9 | C10 | H92C | 117.6° | 119.9° |
| C8 | C9 | C10 | N32 | 152.7° | 176.6° |
| C9 | C8 | C12 | C13 | 157.9° | 179.5° |
| C9 | C8 | C19 | N20 | 144.1° | 155.0° |
| C9 | C8 | C19 | O31 | 38.3° | 25.0° |
| C8 | C9 | H91C | H92C | 117.8° | 120.0° |
| C9 | C8 | O11 | H11 | 83.7° | 59.9° |
| C9 | C8 | C12 | H121 | 82.1° | 60.5° |
| C9 | C8 | C12 | H122 | 41.2° | 59.5° |
| C8 | C9 | C10 | H101 | 87.3° | 63.4° |
| C8 | C9 | C10 | H102 | 33.8° | 56.6° |
| O11 | C8 | C12 | C19 | 118.2° | 120.0° |
| O11 | C8 | C9 | C10 | 52.7° | 59.6° |
| O11 | C8 | C12 | C13 | 83.9° | 60.5° |
| O11 | C8 | C19 | N20 | 22.6° | 35.0° |
| O11 | C8 | C19 | O31 | 159.7° | 145.0° |
| O11 | C8 | C9 | H91C | 172.7° | 60.4° |
| O11 | C8 | C9 | H92C | 64.9° | 179.5° |
| O11 | C8 | C12 | H121 | 36.1° | 59.5° |
| O11 | C8 | C12 | H122 | 159.4° | 179.5° |
| C12 | C8 | C9 | C10 | 170.4° | 60.4° |
| C8 | C12 | C13 | H121 | 120.0° | 120.0° |
| C8 | C12 | C13 | H122 | 116.7° | 120.0° |
| C8 | C12 | C13 | C14 | 75.4° | 84.2° |
| C8 | C12 | C13 | C18 | 104.4° | 96.0° |
| C12 | C8 | C19 | N20 | 94.1° | 85.0° |
| C12 | C8 | C19 | O31 | 83.5° | 95.0° |
| C12 | C8 | C9 | H91C | 69.6° | 179.5° |
| C12 | C8 | C9 | H92C | 52.7° | 59.5° |
| C12 | C8 | O11 | H11 | 157.0° | 180.0° |
| C8 | C12 | H121 | H122 | 117.1° | 120.0° |
| C19 | C8 | C9 | C10 | 69.5° | 179.6° |
| C19 | C8 | C12 | C13 | 34.3° | 59.6° |
| C8 | C19 | N20 | O31 | 177.6° | 179.9° |
| C8 | C19 | N20 | C21 | 177.1° | 180.0° |
| C19 | C8 | C9 | H91C | 50.5° | 59.6° |
| C19 | C8 | C9 | H92C | 172.9° | 60.5° |
| C19 | C8 | O11 | H11 | 40.4° | 60.0° |
| C19 | C8 | C12 | H121 | 154.3° | 179.5° |
| C19 | C8 | C12 | H122 | 82.4° | 60.5° |
| C8 | C19 | N20 | H20 | 2.9° | 0.0° |
| C9 | C10 | N32 | H101 | 120.0° | 120.0° |
| C9 | C10 | N32 | H102 | 118.8° | 120.0° |
| C9 | C10 | N32 | C33 | 168.5° | 173.5° |
| C9 | C10 | N32 | N40 | 63.3° | 62.6° |
| C10 | C9 | H91C | H92C | 117.8° | 120.0° |
| C9 | C10 | H101 | H102 | 118.9° | 120.0° |
| C10 | N32 | C33 | N40 | 129.5° | 124.0° |
| C10 | N32 | C33 | C34 | 172.0° | 175.0° |
| C10 | N32 | N40 | C41 | 106.4° | 115.6° |
| N32 | C10 | C9 | H91C | 32.7° | 56.6° |
| N32 | C10 | C9 | H92C | 89.7° | 63.5° |
| N32 | C10 | H101 | H102 | 118.9° | 120.0° |
| C10 | N32 | C33 | H331 | 68.0° | 65.0° |
| C10 | N32 | C33 | H332 | 51.9° | 55.0° |
| C10 | N32 | N40 | H40 | 73.6° | 64.4° |
| C12 | C13 | C14 | C18 | 179.8° | 179.8° |
| C12 | C13 | C14 | C15 | 179.6° | 180.0° |
| C12 | C13 | C18 | C17 | 179.6° | 179.8° |
| C13 | C12 | H121 | H122 | 117.1° | 120.0° |
| C12 | C13 | C14 | H14 | 0.3° | 0.0° |
| C12 | C13 | C18 | H18 | 0.4° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.5° |
| C14 | C13 | C12 | H121 | 44.6° | 35.7° |
| C14 | C13 | C12 | H122 | 167.9° | 155.7° |
| C14 | C13 | C18 | H18 | 179.8° | 179.7° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C18 | C13 | C14 | C15 | 0.1° | 0.2° |
| C13 | C18 | C17 | C16 | 0.1° | 0.5° |
| C13 | C18 | C17 | H18 | 180.0° | 179.8° |
| C18 | C13 | C12 | H121 | 135.6° | 144.1° |
| C18 | C13 | C12 | H122 | 12.3° | 24.1° |
| C18 | C13 | C14 | H14 | 179.9° | 179.8° |
| C13 | C18 | C17 | H17 | 179.9° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.3° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C17 | C18 | H18 | 179.9° | 179.7° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C18 | C17 | C16 | H16 | 180.0° | 179.8° |
| C19 | N20 | C21 | H20 | 180.0° | 179.9° |
| C19 | N20 | C21 | C22 | 145.1° | 155.0° |
| C19 | N20 | C21 | C30 | 95.5° | 89.2° |
| C19 | N20 | C21 | H21 | 25.0° | 32.9° |
| O31 | C19 | N20 | C21 | 0.5° | 0.0° |
| O31 | C19 | N20 | H20 | 179.5° | 179.9° |
| N20 | C21 | C22 | C30 | 126.9° | 119.0° |
| N20 | C21 | C22 | H21 | 111.4° | 122.0° |
| N20 | C21 | C30 | H21 | 111.5° | 122.1° |
| N20 | C21 | C22 | O23 | 34.1° | 27.1° |
| N20 | C21 | C22 | C24 | 153.8° | 145.3° |
| N20 | C21 | C30 | C25 | 144.0° | 136.1° |
| N20 | C21 | C30 | C29 | 36.3° | 43.8° |
| N20 | C21 | C22 | H22 | 83.9° | 96.3° |
| C22 | C21 | C30 | H21 | 121.3° | 119.0° |
| C21 | C22 | O23 | C24 | 118.9° | 113.0° |
| C21 | C22 | O23 | H22 | 118.8° | 123.4° |
| C21 | C22 | C24 | H22 | 118.8° | 118.4° |
| C21 | C22 | C24 | C25 | 26.8° | 26.3° |
| C22 | C21 | C30 | C25 | 16.8° | 17.1° |
| C22 | C21 | C30 | C29 | 163.5° | 162.8° |
| C22 | C21 | N20 | H20 | 34.9° | 25.1° |
| C21 | C22 | O23 | H23 | 100.1° | 180.0° |
| C21 | C22 | C24 | H241 | 146.8° | 145.2° |
| C21 | C22 | C24 | H242 | 95.9° | 92.6° |
| C30 | C21 | C22 | O23 | 92.8° | 91.9° |
| C30 | C21 | C22 | C24 | 26.9° | 26.3° |
| C21 | C30 | C25 | C24 | 0.2° | 0.0° |
| C21 | C30 | C25 | C26 | 179.9° | 179.9° |
| C21 | C30 | C25 | C29 | 179.7° | 179.9° |
| C21 | C30 | C29 | C28 | 179.8° | 179.9° |
| C30 | C21 | N20 | H20 | 84.5° | 90.7° |
| C30 | C21 | C22 | H22 | 149.2° | 144.7° |
| C21 | C30 | C29 | H29 | 0.2° | 0.1° |
| O23 | C22 | C24 | H22 | 118.0° | 123.4° |
| O23 | C22 | C24 | C25 | 96.3° | 91.9° |
| O23 | C22 | C21 | H21 | 145.5° | 149.1° |
| O23 | C22 | C24 | H241 | 23.7° | 27.0° |
| O23 | C22 | C24 | H242 | 140.9° | 149.2° |
| C22 | C24 | C25 | H241 | 120.0° | 119.0° |
| C22 | C24 | C25 | H242 | 122.7° | 118.9° |
| C22 | C24 | C25 | C26 | 163.3° | 162.8° |
| C22 | C24 | C25 | C30 | 16.7° | 17.1° |
| C24 | C22 | C21 | H21 | 94.7° | 92.7° |
| C24 | C22 | O23 | H23 | 18.9° | 67.0° |
| C22 | C24 | H241 | H242 | 123.1° | 122.2° |
| C24 | C25 | C26 | C30 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 180.0° | 179.9° |
| C24 | C25 | C30 | C29 | 179.9° | 179.9° |
| C25 | C24 | C22 | H22 | 145.6° | 144.6° |
| C25 | C24 | H241 | H242 | 123.1° | 122.1° |
| C24 | C25 | C26 | H26 | 0.0° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.0° |
| C26 | C25 | C24 | H241 | 43.3° | 43.8° |
| C26 | C25 | C24 | H242 | 74.0° | 78.4° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.0° |
| C25 | C30 | C21 | H21 | 104.5° | 101.8° |
| C30 | C25 | C24 | H241 | 136.7° | 136.1° |
| C30 | C25 | C24 | H242 | 106.0° | 101.7° |
| C30 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C30 | C29 | H29 | 179.9° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C28 | C27 | C26 | H26 | 179.9° | 180.0° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C29 | C30 | C21 | H21 | 75.1° | 78.3° |
| C30 | C29 | C28 | H28 | 180.0° | 180.0° |
| N32 | C33 | C34 | H331 | 120.0° | 120.1° |
| N32 | C33 | C34 | H332 | 120.1° | 120.0° |
| N32 | C33 | C34 | C35 | 70.0° | 90.1° |
| N32 | C33 | C34 | C39 | 109.5° | 90.3° |
| C33 | N32 | N40 | C41 | 119.6° | 120.5° |
| C33 | N32 | C10 | H101 | 71.5° | 66.5° |
| C33 | N32 | C10 | H102 | 49.7° | 53.5° |
| N32 | C33 | H331 | H332 | 120.1° | 120.0° |
| C33 | N32 | N40 | H40 | 60.5° | 59.6° |
| N40 | N32 | C33 | C34 | 58.6° | 61.1° |
| N32 | N40 | C41 | H40 | 180.0° | 180.0° |
| N32 | N40 | C41 | C42 | 179.0° | 175.1° |
| N32 | N40 | C41 | O50 | 0.1° | 4.9° |
| N40 | N32 | C10 | H101 | 56.7° | 57.5° |
| N40 | N32 | C10 | H102 | 177.8° | 177.4° |
| N40 | N32 | C33 | H331 | 61.5° | 59.0° |
| N40 | N32 | C33 | H332 | 178.6° | 179.0° |
| C33 | C34 | C35 | C39 | 179.5° | 179.6° |
| C33 | C34 | C35 | C36 | 179.3° | 180.0° |
| C33 | C34 | C39 | C38 | 179.6° | 179.7° |
| C34 | C33 | H331 | H332 | 120.1° | 119.9° |
| C33 | C34 | C35 | H35 | 0.7° | 0.1° |
| C33 | C34 | C39 | H39 | 0.4° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C35 | C34 | C39 | C38 | 0.1° | 0.7° |
| C35 | C34 | C33 | H331 | 170.0° | 30.0° |
| C35 | C34 | C33 | H332 | 50.0° | 150.0° |
| C35 | C34 | C39 | H39 | 179.9° | 179.7° |
| C34 | C35 | C36 | H36 | 179.9° | 179.9° |
| C39 | C34 | C35 | C36 | 0.2° | 0.4° |
| C34 | C39 | C38 | C37 | 0.5° | 0.6° |
| C34 | C39 | C38 | H39 | 180.0° | 179.7° |
| C39 | C34 | C33 | H331 | 10.5° | 149.6° |
| C39 | C34 | C33 | H332 | 130.4° | 29.7° |
| C39 | C34 | C35 | H35 | 179.8° | 179.7° |
| C34 | C39 | C38 | H38 | 179.5° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.3° | 0.0° |
| C36 | C37 | C38 | C39 | 0.6° | 0.3° |
| C37 | C36 | C35 | H35 | 179.9° | 180.0° |
| C36 | C37 | C38 | H38 | 179.5° | 180.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.7° |
| C37 | C38 | C39 | H39 | 179.5° | 179.7° |
| C38 | C37 | C36 | H36 | 179.7° | 180.0° |
| N40 | C41 | C42 | O50 | 179.1° | 179.9° |
| N40 | C41 | C42 | N51 | 99.3° | 154.2° |
| N40 | C41 | C42 | C47 | 138.5° | 85.8° |
| N40 | C41 | C42 | H42 | 24.0° | 34.2° |
| C41 | C42 | N51 | C47 | 125.7° | 119.9° |
| C41 | C42 | N51 | H42 | 119.7° | 120.1° |
| C41 | C42 | C47 | H42 | 119.2° | 120.1° |
| C41 | C42 | N51 | C43 | 113.2° | 155.0° |
| C41 | C42 | C47 | C48 | 53.7° | 57.2° |
| C41 | C42 | C47 | C49 | 172.8° | 177.2° |
| C42 | C41 | N40 | H40 | 1.1° | 5.0° |
| C41 | C42 | N51 | H51 | 66.8° | 25.0° |
| O50 | C41 | C42 | N51 | 79.8° | 25.7° |
| O50 | C41 | C42 | C47 | 42.4° | 94.2° |
| O50 | C41 | N40 | H40 | 179.8° | 175.1° |
| O50 | C41 | C42 | H42 | 156.9° | 145.8° |
| N51 | C42 | C47 | H42 | 123.1° | 120.0° |
| C42 | N51 | C43 | H51 | 180.0° | 180.0° |
| C42 | N51 | C43 | O44 | 179.7° | 180.0° |
| C42 | N51 | C43 | O46 | 0.3° | 0.0° |
| N51 | C42 | C47 | C48 | 171.4° | 62.7° |
| N51 | C42 | C47 | C49 | 69.5° | 57.3° |
| C47 | C42 | N51 | C43 | 121.2° | 85.0° |
| C42 | C47 | C48 | C49 | 118.9° | 120.0° |
| C42 | C47 | C1 | H11C | 165.9° | 54.3° |
| C42 | C47 | C1 | H12C | 45.9° | 174.2° |
| C42 | C47 | C1 | H13C | 74.1° | 65.7° |
| C47 | C42 | N51 | H51 | 58.8° | 95.0° |
| C42 | C47 | C48 | H481 | 78.2° | 180.0° |
| C42 | C47 | C48 | H482 | 41.8° | 60.0° |
| C42 | C47 | C48 | H483 | 161.8° | 60.0° |
| C42 | C47 | C49 | H491 | 149.7° | 60.0° |
| C42 | C47 | C49 | H492 | 29.7° | 60.1° |
| C42 | C47 | C49 | H493 | 90.3° | 180.0° |
| N51 | C43 | O44 | O46 | 179.9° | 180.0° |
| N51 | C43 | O44 | C45 | 179.9° | 180.0° |
| C43 | N51 | C42 | H42 | 6.5° | 35.0° |
| O44 | C43 | N51 | H51 | 0.3° | 0.0° |
| C43 | O44 | C45 | H451 | 47.2° | 180.0° |
| C43 | O44 | C45 | H452 | 72.8° | 60.0° |
| C43 | O44 | C45 | H453 | 167.2° | 60.0° |
| O46 | C43 | O44 | C45 | 0.0° | 0.1° |
| O46 | C43 | N51 | H51 | 179.7° | 180.0° |
| O44 | C45 | H451 | H452 | 120.0° | 120.0° |
| O44 | C45 | H451 | H453 | 120.0° | 120.0° |
| O44 | C45 | H452 | H453 | 120.0° | 120.0° |
| C48 | C47 | C1 | H11C | 70.9° | 174.2° |
| C48 | C47 | C1 | H12C | 169.1° | 65.8° |
| C48 | C47 | C1 | H13C | 49.1° | 54.2° |
| C48 | C47 | C42 | H42 | 65.5° | 177.3° |
| C47 | C48 | H481 | H482 | 120.0° | 120.0° |
| C47 | C48 | H481 | H483 | 120.0° | 120.0° |
| C47 | C48 | H482 | H483 | 120.0° | 120.0° |
| C48 | C47 | C49 | H491 | 29.5° | 180.0° |
| C48 | C47 | C49 | H492 | 90.5° | 59.9° |
| C48 | C47 | C49 | H493 | 149.4° | 60.0° |
| C49 | C47 | C1 | H11C | 46.2° | 65.7° |
| C49 | C47 | C1 | H12C | 73.9° | 54.3° |
| C49 | C47 | C1 | H13C | 166.1° | 174.3° |
| C49 | C47 | C42 | H42 | 53.6° | 62.7° |
| C49 | C47 | C48 | H481 | 162.9° | 60.1° |
| C49 | C47 | C48 | H482 | 77.1° | 60.0° |
| C49 | C47 | C48 | H483 | 42.9° | 180.0° |
| C47 | C49 | H491 | H492 | 120.0° | 120.0° |
| C47 | C49 | H491 | H493 | 120.0° | 120.0° |
| C47 | C49 | H492 | H493 | 120.0° | 120.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.1° |
| H2 | C2 | C7 | H7 | 0.0° | 0.3° |
| H7 | C7 | C6 | H6 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H91C | C9 | C10 | H101 | 152.7° | 176.6° |
| H91C | C9 | C10 | H102 | 86.2° | 63.4° |
| H92C | C9 | C10 | H101 | 30.3° | 56.5° |
| H92C | C9 | C10 | H102 | 151.5° | 176.5° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H18 | C18 | C17 | H17 | 0.1° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H16 | C16 | C17 | H17 | 0.0° | 0.1° |
| H20 | N20 | C21 | H21 | 155.0° | 147.1° |
| H21 | C21 | C22 | H22 | 27.5° | 25.7° |
| H22 | C22 | O23 | H23 | 141.1° | 56.6° |
| H22 | C22 | C24 | H241 | 94.3° | 96.4° |
| H22 | C22 | C24 | H242 | 22.9° | 25.8° |
| H26 | C26 | C27 | H27 | 0.1° | 0.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| H39 | C39 | C38 | H38 | 0.5° | 0.0° |
| H42 | C42 | N51 | H51 | 173.5° | 145.0° |
| H451 | C45 | H452 | H453 | 120.0° | 120.0° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
| H491 | C49 | H492 | H493 | 120.0° | 120.0° |
