VG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.47Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.46Å | Aromatic |
| C1 | N77 | sing | 1.40Å | 1.36Å | |
| C2 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.47Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.45Å | |
| C4 | C5 | doub | 1.39Å | 1.46Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.44Å | |
| C7 | N8 | sing | 1.35Å | 1.37Å | |
| C7 | O9 | doub | 1.22Å | 1.23Å | |
| N8 | C10 | sing | 1.46Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C14 | sing | 1.51Å | 1.53Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C56 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C60 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | C17 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| C17 | C22 | sing | 1.53Å | 1.56Å | |
| C18 | N19 | sing | 1.35Å | 1.35Å | |
| C18 | O20 | doub | 1.21Å | 1.24Å | |
| N19 | C21 | sing | 1.46Å | 1.47Å | |
| C21 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | C27 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C56 | C57 | doub | 1.38Å | 1.44Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.44Å | Aromatic |
| C58 | C59 | doub | 1.38Å | 1.44Å | Aromatic |
| C59 | C60 | sing | 1.38Å | 1.43Å | Aromatic |
| N1 | C67 | sing | 1.46Å | 1.45Å | |
| C67 | C68 | sing | 1.53Å | 1.54Å | |
| N77 | C78 | sing | 1.47Å | 1.47Å | |
| N77 | C81 | sing | 1.34Å | 1.36Å | |
| C78 | C79 | sing | 1.54Å | 1.52Å | |
| C79 | C80 | sing | 1.55Å | 1.53Å | |
| C80 | C81 | sing | 1.51Å | 1.53Å | |
| C81 | O88 | doub | 1.21Å | 1.23Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 1.01Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| C67 | H671 | sing | 1.09Å | 1.10Å | |
| C67 | H672 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C68 | H683 | sing | 1.09Å | 1.10Å | |
| C78 | H78 | sing | 1.09Å | 1.10Å | |
| C78 | H7A | sing | 1.09Å | 1.10Å | |
| C79 | H79 | sing | 1.09Å | 1.10Å | |
| C79 | H7B | sing | 1.09Å | 1.10Å | |
| C80 | H801 | sing | 1.09Å | 1.10Å | |
| C80 | H802 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.4° | 120.1° |
| C2 | C1 | N77 | 120.5° | 119.9° |
| C1 | C2 | C3 | 119.3° | 119.9° |
| C1 | C2 | H2 | 120.3° | 120.1° |
| C6 | C1 | N77 | 120.2° | 119.9° |
| C1 | C6 | C5 | 122.4° | 120.1° |
| C1 | C6 | H6 | 118.8° | 119.9° |
| C1 | N77 | C78 | 119.9° | 124.4° |
| C1 | N77 | C81 | 126.9° | 124.3° |
| C2 | C3 | C4 | 120.3° | 119.8° |
| C2 | C3 | C7 | 122.6° | 120.1° |
| C3 | C2 | H2 | 120.4° | 120.0° |
| C4 | C3 | C7 | 117.1° | 120.1° |
| C3 | C4 | C5 | 120.9° | 119.9° |
| C3 | C4 | H4 | 119.5° | 120.1° |
| C3 | C7 | N8 | 116.1° | 120.0° |
| C3 | C7 | O9 | 121.8° | 120.0° |
| C4 | C5 | C6 | 117.6° | 120.1° |
| C4 | C5 | N1 | 122.5° | 119.9° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C6 | C5 | N1 | 119.8° | 120.0° |
| C5 | C6 | H6 | 118.8° | 120.0° |
| C5 | N1 | C67 | 123.6° | 120.1° |
| C5 | N1 | H1 | 105.0° | 120.0° |
| N8 | C7 | O9 | 122.1° | 120.0° |
| C7 | N8 | C10 | 124.0° | 120.0° |
| C7 | N8 | H8 | 118.0° | 120.0° |
| N8 | C10 | C11 | 105.8° | 109.5° |
| N8 | C10 | C12 | 112.6° | 109.5° |
| C10 | N8 | H8 | 118.0° | 120.0° |
| N8 | C10 | H10 | 110.7° | 109.5° |
| C11 | C10 | C12 | 111.8° | 109.5° |
| C10 | C11 | C14 | 113.0° | 109.5° |
| C11 | C10 | H10 | 111.5° | 109.5° |
| C10 | C11 | H111 | 108.3° | 109.5° |
| C10 | C11 | H112 | 107.5° | 109.5° |
| C10 | C12 | O13 | 109.2° | 109.5° |
| C10 | C12 | C15 | 111.4° | 109.5° |
| C12 | C10 | H10 | 104.6° | 109.5° |
| C10 | C12 | H12 | 107.8° | 109.5° |
| C11 | C14 | C56 | 119.2° | 120.0° |
| C11 | C14 | C60 | 121.9° | 120.0° |
| C14 | C11 | H111 | 108.3° | 109.4° |
| C14 | C11 | H112 | 107.5° | 109.4° |
| O13 | C12 | C15 | 107.7° | 109.4° |
| O13 | C12 | H12 | 111.5° | 109.5° |
| C12 | O13 | H13 | 109.5° | 114.0° |
| C12 | C15 | N16 | 111.8° | 109.5° |
| C15 | C12 | H12 | 109.3° | 109.5° |
| C12 | C15 | H151 | 108.7° | 109.5° |
| C12 | C15 | H152 | 108.2° | 109.5° |
| C56 | C14 | C60 | 118.9° | 120.0° |
| C14 | C56 | C57 | 120.3° | 120.1° |
| C14 | C56 | H56 | 119.9° | 120.0° |
| C14 | C60 | C59 | 120.8° | 120.0° |
| C14 | C60 | H60 | 119.6° | 120.0° |
| C15 | N16 | C17 | 123.2° | 111.0° |
| N16 | C15 | H151 | 108.7° | 109.5° |
| N16 | C15 | H152 | 108.2° | 109.5° |
| C15 | N16 | H16 | 105.1° | 111.0° |
| N16 | C17 | C18 | 108.1° | 109.5° |
| N16 | C17 | C22 | 110.7° | 109.5° |
| C17 | N16 | H16 | 105.1° | 111.0° |
| N16 | C17 | H17 | 110.1° | 109.5° |
| C18 | C17 | C22 | 111.1° | 109.5° |
| C17 | C18 | N19 | 113.0° | 120.0° |
| C17 | C18 | O20 | 122.0° | 120.0° |
| C18 | C17 | H17 | 109.7° | 109.4° |
| C22 | C17 | H17 | 107.1° | 109.4° |
| C17 | C22 | H221 | 109.5° | 109.4° |
| C17 | C22 | H222 | 109.4° | 109.5° |
| C17 | C22 | H223 | 109.5° | 109.5° |
| N19 | C18 | O20 | 125.0° | 120.0° |
| C18 | N19 | C21 | 122.6° | 119.9° |
| C18 | N19 | H19 | 118.7° | 120.0° |
| N19 | C21 | C23 | 110.3° | 109.5° |
| N19 | C21 | C27 | 109.7° | 109.5° |
| C21 | N19 | H19 | 118.7° | 120.0° |
| N19 | C21 | H21 | 109.2° | 109.5° |
| C23 | C21 | C27 | 110.8° | 109.5° |
| C21 | C23 | C24 | 110.5° | 109.5° |
| C23 | C21 | H21 | 108.2° | 109.4° |
| C21 | C23 | H231 | 109.1° | 109.5° |
| C21 | C23 | H232 | 108.9° | 109.5° |
| C21 | C27 | C26 | 111.5° | 109.5° |
| C27 | C21 | H21 | 108.7° | 109.5° |
| C21 | C27 | H271 | 108.8° | 109.5° |
| C21 | C27 | H272 | 108.4° | 109.5° |
| C23 | C24 | C25 | 112.0° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.5° |
| C24 | C23 | H232 | 108.9° | 109.4° |
| C23 | C24 | H241 | 108.6° | 109.5° |
| C23 | C24 | H242 | 108.0° | 109.5° |
| C24 | C25 | C26 | 112.6° | 109.5° |
| C25 | C24 | H241 | 108.6° | 109.5° |
| C25 | C24 | H242 | 108.0° | 109.5° |
| C24 | C25 | H251 | 108.4° | 109.5° |
| C24 | C25 | H252 | 107.7° | 109.5° |
| C25 | C26 | C27 | 112.0° | 109.5° |
| C26 | C25 | H251 | 108.4° | 109.5° |
| C26 | C25 | H252 | 107.7° | 109.5° |
| C25 | C26 | H261 | 108.6° | 109.5° |
| C25 | C26 | H262 | 108.1° | 109.5° |
| C26 | C27 | H271 | 108.8° | 109.5° |
| C26 | C27 | H272 | 108.4° | 109.4° |
| C27 | C26 | H261 | 108.7° | 109.5° |
| C27 | C26 | H262 | 108.1° | 109.4° |
| C56 | C57 | C58 | 120.3° | 120.0° |
| C57 | C56 | H56 | 119.8° | 120.0° |
| C56 | C57 | H57 | 119.8° | 120.0° |
| C57 | C58 | C59 | 120.0° | 120.0° |
| C58 | C57 | H57 | 119.8° | 120.0° |
| C57 | C58 | H58 | 120.0° | 120.0° |
| C58 | C59 | C60 | 119.7° | 120.0° |
| C59 | C58 | H58 | 120.0° | 120.0° |
| C58 | C59 | H59 | 120.2° | 120.0° |
| C59 | C60 | H60 | 119.6° | 120.0° |
| C60 | C59 | H59 | 120.1° | 120.0° |
| N1 | C67 | C68 | 109.3° | 109.5° |
| C67 | N1 | H1 | 105.0° | 120.0° |
| N1 | C67 | H671 | 109.5° | 109.5° |
| N1 | C67 | H672 | 109.5° | 109.5° |
| C68 | C67 | H671 | 109.5° | 109.5° |
| C68 | C67 | H672 | 109.6° | 109.5° |
| C67 | C68 | H681 | 109.5° | 109.5° |
| C67 | C68 | H682 | 109.4° | 109.5° |
| C67 | C68 | H683 | 109.4° | 109.5° |
| C78 | N77 | C81 | 113.1° | 111.3° |
| N77 | C78 | C79 | 105.5° | 105.5° |
| N77 | C78 | H78 | 110.8° | 110.2° |
| N77 | C78 | H7A | 111.7° | 110.3° |
| N77 | C81 | C80 | 109.5° | 110.1° |
| N77 | C81 | O88 | 127.7° | 125.0° |
| C78 | C79 | C80 | 107.3° | 101.8° |
| C79 | C78 | H78 | 110.8° | 110.2° |
| C79 | C78 | H7A | 111.7° | 110.3° |
| C78 | C79 | H79 | 110.2° | 111.0° |
| C78 | C79 | H7B | 110.7° | 111.0° |
| C79 | C80 | C81 | 104.5° | 104.2° |
| C80 | C79 | H79 | 110.2° | 110.9° |
| C80 | C79 | H7B | 110.6° | 111.0° |
| C79 | C80 | H801 | 111.2° | 110.5° |
| C79 | C80 | H802 | 112.2° | 110.4° |
| C80 | C81 | O88 | 122.8° | 124.9° |
| C81 | C80 | H801 | 111.2° | 110.7° |
| C81 | C80 | H802 | 112.2° | 110.2° |
| H111 | C11 | H112 | 112.3° | 109.5° |
| H151 | C15 | H152 | 111.3° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 110.2° | 109.4° |
| H271 | C27 | H272 | 111.0° | 109.5° |
| H241 | C24 | H242 | 111.5° | 109.5° |
| H251 | C25 | H252 | 112.0° | 109.5° |
| H261 | C26 | H262 | 111.4° | 109.5° |
| H671 | C67 | H672 | 109.4° | 109.5° |
| H681 | C68 | H682 | 109.5° | 109.5° |
| H681 | C68 | H683 | 109.5° | 109.5° |
| H682 | C68 | H683 | 109.5° | 109.5° |
| H78 | C78 | H7A | 106.4° | 110.3° |
| H79 | C79 | H7B | 107.8° | 110.9° |
| H801 | C80 | H802 | 105.7° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N77 | 179.9° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | C7 | 179.2° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | N77 | C78 | 51.8° | 5.8° |
| C2 | C1 | N77 | C81 | 128.4° | 173.9° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N1 | 179.9° | 180.0° |
| C6 | C1 | N77 | C78 | 128.1° | 173.9° |
| C6 | C1 | N77 | C81 | 51.7° | 6.4° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| N77 | C1 | C2 | C3 | 179.8° | 179.7° |
| N77 | C1 | C6 | C5 | 179.9° | 179.7° |
| C1 | N77 | C78 | C81 | 179.8° | 179.7° |
| C1 | N77 | C78 | C79 | 179.8° | 163.0° |
| C1 | N77 | C81 | C80 | 179.8° | 179.5° |
| C1 | N77 | C81 | O88 | 0.0° | 0.4° |
| N77 | C1 | C2 | H2 | 0.2° | 0.3° |
| N77 | C1 | C6 | H6 | 0.1° | 0.3° |
| C1 | N77 | C78 | H78 | 59.8° | 44.0° |
| C1 | N77 | C78 | H7A | 58.7° | 77.9° |
| C2 | C3 | C4 | C7 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C7 | N8 | 139.0° | 180.0° |
| C2 | C3 | C7 | O9 | 42.7° | 0.0° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | N1 | 180.0° | 180.0° |
| C4 | C3 | C7 | N8 | 41.8° | 0.0° |
| C4 | C3 | C7 | O9 | 136.5° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C7 | C3 | C4 | C5 | 179.4° | 180.0° |
| C3 | C7 | N8 | O9 | 178.3° | 180.0° |
| C3 | C7 | N8 | C10 | 176.9° | 180.0° |
| C7 | C3 | C2 | H2 | 0.8° | 0.0° |
| C7 | C3 | C4 | H4 | 0.6° | 0.1° |
| C3 | C7 | N8 | H8 | 3.0° | 0.0° |
| C4 | C5 | C6 | N1 | 179.8° | 180.0° |
| C4 | C5 | N1 | C67 | 5.4° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C4 | C5 | N1 | H1 | 125.3° | 180.0° |
| C6 | C5 | N1 | C67 | 174.4° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 179.9° |
| C6 | C5 | N1 | H1 | 54.4° | 0.1° |
| C5 | N1 | C67 | H1 | 120.0° | 179.9° |
| C5 | N1 | C67 | C68 | 99.5° | 180.0° |
| N1 | C5 | C6 | H6 | 0.1° | 0.0° |
| N1 | C5 | C4 | H4 | 0.0° | 0.1° |
| C5 | N1 | C67 | H671 | 20.5° | 60.0° |
| C5 | N1 | C67 | H672 | 140.5° | 60.0° |
| C7 | N8 | C10 | H8 | 180.0° | 180.0° |
| C7 | N8 | C10 | C11 | 134.3° | 85.0° |
| C7 | N8 | C10 | C12 | 103.4° | 155.0° |
| C7 | N8 | C10 | H10 | 13.3° | 35.0° |
| O9 | C7 | N8 | C10 | 1.3° | 0.0° |
| O9 | C7 | N8 | H8 | 178.7° | 180.0° |
| N8 | C10 | C11 | C12 | 122.9° | 120.0° |
| N8 | C10 | C11 | H10 | 120.4° | 120.0° |
| N8 | C10 | C12 | H10 | 120.3° | 120.0° |
| N8 | C10 | C11 | C14 | 43.2° | 65.0° |
| N8 | C10 | C12 | O13 | 179.3° | 65.0° |
| N8 | C10 | C12 | C15 | 62.0° | 175.0° |
| N8 | C10 | C11 | H111 | 76.8° | 55.0° |
| N8 | C10 | C11 | H112 | 161.6° | 175.0° |
| N8 | C10 | C12 | H12 | 57.9° | 55.0° |
| C11 | C10 | C12 | H10 | 120.8° | 120.0° |
| C10 | C11 | C14 | H111 | 120.0° | 120.0° |
| C10 | C11 | C14 | H112 | 118.4° | 120.1° |
| C11 | C10 | C12 | O13 | 60.4° | 55.0° |
| C11 | C10 | C12 | C15 | 179.1° | 65.0° |
| C10 | C11 | C14 | C56 | 128.8° | 90.0° |
| C10 | C11 | C14 | C60 | 50.8° | 90.3° |
| C11 | C10 | N8 | H8 | 45.7° | 95.0° |
| C10 | C11 | H111 | H112 | 118.5° | 120.1° |
| C11 | C10 | C12 | H12 | 60.9° | 175.0° |
| C12 | C10 | C11 | C14 | 166.0° | 175.0° |
| C10 | C12 | O13 | C15 | 121.0° | 120.0° |
| C10 | C12 | O13 | H12 | 119.0° | 120.1° |
| C10 | C12 | C15 | H12 | 119.0° | 120.1° |
| C10 | C12 | C15 | N16 | 163.5° | 175.0° |
| C12 | C10 | N8 | H8 | 76.7° | 25.0° |
| C12 | C10 | C11 | H111 | 46.1° | 65.0° |
| C12 | C10 | C11 | H112 | 75.5° | 55.0° |
| C10 | C12 | O13 | H13 | 146.1° | 60.0° |
| C10 | C12 | C15 | H151 | 76.5° | 55.0° |
| C10 | C12 | C15 | H152 | 44.4° | 65.0° |
| C11 | C14 | C56 | C60 | 179.6° | 179.8° |
| C11 | C14 | C56 | C57 | 179.7° | 180.0° |
| C11 | C14 | C60 | C59 | 179.5° | 179.8° |
| C14 | C11 | C10 | H10 | 77.3° | 55.0° |
| C14 | C11 | H111 | H112 | 118.6° | 119.9° |
| C11 | C14 | C56 | H56 | 0.3° | 0.0° |
| C11 | C14 | C60 | H60 | 0.5° | 0.0° |
| O13 | C12 | C15 | H12 | 121.3° | 119.9° |
| O13 | C12 | C15 | N16 | 43.8° | 65.0° |
| O13 | C12 | C10 | H10 | 60.4° | 175.0° |
| O13 | C12 | C15 | H151 | 163.8° | 175.0° |
| O13 | C12 | C15 | H152 | 75.2° | 55.0° |
| C12 | C15 | N16 | H151 | 120.0° | 120.0° |
| C12 | C15 | N16 | H152 | 119.0° | 120.0° |
| C12 | C15 | N16 | C17 | 150.8° | 180.0° |
| C15 | C12 | C10 | H10 | 58.3° | 55.0° |
| C15 | C12 | O13 | H13 | 25.1° | 60.0° |
| C12 | C15 | H151 | H152 | 119.0° | 120.0° |
| C12 | C15 | N16 | H16 | 30.8° | 56.0° |
| C14 | C56 | C57 | H56 | 180.0° | 180.0° |
| C14 | C56 | C57 | C58 | 0.2° | 0.0° |
| C56 | C14 | C60 | C59 | 0.1° | 0.5° |
| C56 | C14 | C11 | H111 | 8.8° | 30.0° |
| C56 | C14 | C11 | H112 | 112.8° | 150.0° |
| C56 | C14 | C60 | H60 | 179.9° | 179.7° |
| C14 | C56 | C57 | H57 | 179.8° | 180.0° |
| C60 | C14 | C56 | C57 | 0.1° | 0.3° |
| C14 | C60 | C59 | C58 | 0.1° | 0.4° |
| C14 | C60 | C59 | H60 | 180.0° | 179.8° |
| C60 | C14 | C11 | H111 | 170.7° | 149.7° |
| C60 | C14 | C11 | H112 | 67.7° | 29.8° |
| C60 | C14 | C56 | H56 | 179.9° | 179.7° |
| C14 | C60 | C59 | H59 | 179.9° | 179.7° |
| C15 | N16 | C17 | H16 | 120.0° | 123.9° |
| C15 | N16 | C17 | C18 | 64.6° | 155.0° |
| C15 | N16 | C17 | C22 | 57.2° | 85.0° |
| N16 | C15 | C12 | H12 | 77.5° | 55.0° |
| N16 | C15 | H151 | H152 | 119.1° | 120.0° |
| C15 | N16 | C17 | H17 | 175.5° | 35.0° |
| N16 | C17 | C18 | C22 | 121.6° | 120.1° |
| N16 | C17 | C18 | H17 | 120.1° | 120.0° |
| N16 | C17 | C22 | H17 | 120.1° | 120.0° |
| N16 | C17 | C18 | N19 | 75.9° | 180.0° |
| N16 | C17 | C18 | O20 | 104.0° | 0.0° |
| C17 | N16 | C15 | H151 | 89.2° | 60.0° |
| C17 | N16 | C15 | H152 | 31.8° | 60.0° |
| N16 | C17 | C22 | H221 | 107.8° | 60.0° |
| N16 | C17 | C22 | H222 | 132.2° | 180.0° |
| N16 | C17 | C22 | H223 | 12.2° | 60.0° |
| C18 | C17 | C22 | H17 | 119.8° | 119.9° |
| C17 | C18 | N19 | O20 | 179.8° | 180.0° |
| C17 | C18 | N19 | C21 | 179.9° | 180.0° |
| C18 | C17 | N16 | H16 | 55.4° | 81.1° |
| C18 | C17 | C22 | H221 | 12.3° | 60.1° |
| C18 | C17 | C22 | H222 | 107.7° | 59.9° |
| C18 | C17 | C22 | H223 | 132.3° | 180.0° |
| C17 | C18 | N19 | H19 | 0.2° | 0.0° |
| C22 | C17 | C18 | N19 | 162.5° | 59.9° |
| C22 | C17 | C18 | O20 | 17.6° | 120.0° |
| C22 | C17 | N16 | H16 | 177.2° | 38.9° |
| C17 | C22 | H221 | H222 | 120.0° | 120.0° |
| C17 | C22 | H221 | H223 | 120.0° | 120.0° |
| C17 | C22 | H222 | H223 | 120.0° | 120.1° |
| C18 | N19 | C21 | H19 | 180.0° | 180.0° |
| C18 | N19 | C21 | C23 | 91.2° | 155.0° |
| C18 | N19 | C21 | C27 | 146.5° | 85.0° |
| N19 | C18 | C17 | H17 | 44.3° | 60.0° |
| C18 | N19 | C21 | H21 | 27.5° | 35.0° |
| O20 | C18 | N19 | C21 | 0.0° | 0.0° |
| O20 | C18 | C17 | H17 | 135.9° | 120.0° |
| O20 | C18 | N19 | H19 | 180.0° | 180.0° |
| N19 | C21 | C23 | C27 | 121.7° | 120.0° |
| N19 | C21 | C23 | H21 | 119.3° | 120.0° |
| N19 | C21 | C27 | H21 | 119.3° | 120.1° |
| N19 | C21 | C23 | C24 | 179.8° | 180.0° |
| N19 | C21 | C27 | C26 | 179.8° | 180.0° |
| N19 | C21 | C23 | H231 | 59.8° | 60.0° |
| N19 | C21 | C23 | H232 | 60.6° | 60.0° |
| N19 | C21 | C27 | H271 | 60.2° | 60.0° |
| N19 | C21 | C27 | H272 | 60.6° | 60.0° |
| C23 | C21 | C27 | H21 | 118.7° | 119.9° |
| C21 | C23 | C24 | H231 | 120.0° | 120.0° |
| C21 | C23 | C24 | H232 | 119.6° | 120.1° |
| C21 | C23 | C24 | C25 | 54.8° | 60.0° |
| C23 | C21 | C27 | C26 | 57.8° | 60.0° |
| C23 | C21 | N19 | H19 | 88.8° | 25.0° |
| C21 | C23 | H231 | H232 | 119.6° | 120.0° |
| C23 | C21 | C27 | H271 | 177.8° | 180.0° |
| C23 | C21 | C27 | H272 | 61.3° | 60.0° |
| C21 | C23 | C24 | H241 | 174.8° | 180.0° |
| C21 | C23 | C24 | H242 | 64.1° | 60.0° |
| C27 | C21 | C23 | C24 | 58.1° | 60.0° |
| C21 | C27 | C26 | C25 | 53.7° | 60.0° |
| C21 | C27 | C26 | H271 | 120.0° | 120.0° |
| C21 | C27 | C26 | H272 | 119.2° | 120.0° |
| C27 | C21 | N19 | H19 | 33.5° | 95.0° |
| C27 | C21 | C23 | H231 | 61.9° | 60.0° |
| C27 | C21 | C23 | H232 | 177.7° | 180.0° |
| C21 | C27 | H271 | H272 | 119.2° | 120.0° |
| C21 | C27 | C26 | H261 | 173.7° | 180.0° |
| C21 | C27 | C26 | H262 | 65.2° | 60.0° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 118.9° | 120.0° |
| C23 | C24 | C25 | C26 | 51.2° | 60.0° |
| C24 | C23 | C21 | H21 | 60.9° | 60.0° |
| C24 | C23 | H231 | H232 | 119.6° | 119.9° |
| C23 | C24 | H241 | H242 | 119.0° | 120.0° |
| C23 | C24 | C25 | H251 | 68.8° | 60.0° |
| C23 | C24 | C25 | H252 | 169.9° | 180.0° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 118.7° | 120.0° |
| C24 | C25 | C26 | C27 | 50.3° | 60.0° |
| C25 | C24 | C23 | H231 | 65.2° | 60.0° |
| C25 | C24 | C23 | H232 | 174.4° | 179.9° |
| C25 | C24 | H241 | H242 | 118.9° | 120.0° |
| C24 | C25 | H251 | H252 | 118.7° | 120.0° |
| C24 | C25 | C26 | H261 | 170.4° | 180.0° |
| C24 | C25 | C26 | H262 | 68.6° | 60.0° |
| C25 | C26 | C27 | H261 | 120.0° | 120.0° |
| C25 | C26 | C27 | H262 | 118.9° | 120.0° |
| C25 | C26 | C27 | H271 | 173.7° | 180.0° |
| C25 | C26 | C27 | H272 | 65.5° | 60.0° |
| C26 | C25 | C24 | H241 | 171.3° | 180.0° |
| C26 | C25 | C24 | H242 | 67.7° | 60.1° |
| C26 | C25 | H251 | H252 | 118.7° | 120.0° |
| C25 | C26 | H261 | H262 | 118.9° | 120.0° |
| C26 | C27 | C21 | H21 | 60.9° | 60.0° |
| C26 | C27 | H271 | H272 | 119.2° | 120.0° |
| C27 | C26 | C25 | H251 | 69.6° | 60.0° |
| C27 | C26 | C25 | H252 | 169.0° | 180.0° |
| C27 | C26 | H261 | H262 | 119.0° | 120.0° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.2° | 0.1° |
| C56 | C57 | C58 | H58 | 179.8° | 180.0° |
| C57 | C58 | C59 | H58 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 0.0° | 0.1° |
| C58 | C57 | C56 | H56 | 179.8° | 180.0° |
| C57 | C58 | C59 | H59 | 180.0° | 180.0° |
| C58 | C59 | C60 | H59 | 180.0° | 179.9° |
| C58 | C59 | C60 | H60 | 179.9° | 179.8° |
| C59 | C58 | C57 | H57 | 179.8° | 180.0° |
| C60 | C59 | C58 | H58 | 180.0° | 179.8° |
| N1 | C67 | C68 | H671 | 120.0° | 120.0° |
| N1 | C67 | C68 | H672 | 120.0° | 120.0° |
| N1 | C67 | H671 | H672 | 120.1° | 120.0° |
| N1 | C67 | C68 | H681 | 12.8° | 60.0° |
| N1 | C67 | C68 | H682 | 107.1° | 180.0° |
| N1 | C67 | C68 | H683 | 132.8° | 60.0° |
| C68 | C67 | N1 | H1 | 140.5° | 0.0° |
| C68 | C67 | H671 | H672 | 120.1° | 120.0° |
| C67 | C68 | H681 | H682 | 120.0° | 120.0° |
| C67 | C68 | H681 | H683 | 120.0° | 120.0° |
| C67 | C68 | H682 | H683 | 120.0° | 120.0° |
| N77 | C78 | C79 | H78 | 120.0° | 118.9° |
| N77 | C78 | C79 | H7A | 121.5° | 119.0° |
| N77 | C78 | C79 | C80 | 0.0° | 25.4° |
| C78 | N77 | C81 | C80 | 0.0° | 0.9° |
| C78 | N77 | C81 | O88 | 179.8° | 179.3° |
| N77 | C78 | H78 | H7A | 121.6° | 122.0° |
| N77 | C78 | C79 | H79 | 120.0° | 92.7° |
| N77 | C78 | C79 | H7B | 120.9° | 143.6° |
| C81 | N77 | C78 | C79 | 0.0° | 17.3° |
| N77 | C81 | C80 | C79 | 0.1° | 15.8° |
| N77 | C81 | C80 | O88 | 179.8° | 179.9° |
| C81 | N77 | C78 | H78 | 120.0° | 136.3° |
| C81 | N77 | C78 | H7A | 121.5° | 101.8° |
| N77 | C81 | C80 | H801 | 120.1° | 134.6° |
| N77 | C81 | C80 | H802 | 121.8° | 102.7° |
| C78 | C79 | C80 | H79 | 120.0° | 118.1° |
| C78 | C79 | C80 | H7B | 120.8° | 118.1° |
| C78 | C79 | C80 | C81 | 0.1° | 24.6° |
| C79 | C78 | H78 | H7A | 121.6° | 122.0° |
| C78 | C79 | H79 | H7B | 120.9° | 123.8° |
| C78 | C79 | C80 | H801 | 120.1° | 143.5° |
| C78 | C79 | C80 | H802 | 121.8° | 93.8° |
| C79 | C80 | C81 | H801 | 120.0° | 118.8° |
| C79 | C80 | C81 | H802 | 121.8° | 118.5° |
| C79 | C80 | C81 | O88 | 179.8° | 164.0° |
| C80 | C79 | C78 | H78 | 120.0° | 144.3° |
| C80 | C79 | C78 | H7A | 121.5° | 93.6° |
| C80 | C79 | H79 | H7B | 120.8° | 123.8° |
| C79 | C80 | H801 | H802 | 122.0° | 122.6° |
| C81 | C80 | C79 | H79 | 120.0° | 93.5° |
| C81 | C80 | C79 | H7B | 120.9° | 142.7° |
| C81 | C80 | H801 | H802 | 122.0° | 122.5° |
| O88 | C81 | C80 | H801 | 59.7° | 45.2° |
| O88 | C81 | C80 | H802 | 58.4° | 77.4° |
| H1 | N1 | C67 | H671 | 99.5° | 119.9° |
| H1 | N1 | C67 | H672 | 20.5° | 120.1° |
| H8 | N8 | C10 | H10 | 166.7° | 145.0° |
| H10 | C10 | C11 | H111 | 162.7° | 175.0° |
| H10 | C10 | C11 | H112 | 41.2° | 65.0° |
| H10 | C10 | C12 | H12 | 178.2° | 65.0° |
| H12 | C12 | O13 | H13 | 94.9° | 180.0° |
| H12 | C12 | C15 | H151 | 42.5° | 65.0° |
| H12 | C12 | C15 | H152 | 163.4° | 175.0° |
| H151 | C15 | N16 | H16 | 150.8° | 176.0° |
| H152 | C15 | N16 | H16 | 88.2° | 64.0° |
| H56 | C56 | C57 | H57 | 0.2° | 0.1° |
| H60 | C60 | C59 | H59 | 0.1° | 0.1° |
| H16 | N16 | C17 | H17 | 64.5° | 158.9° |
| H17 | C17 | C22 | H221 | 132.1° | 180.0° |
| H17 | C17 | C22 | H222 | 12.1° | 60.0° |
| H17 | C17 | C22 | H223 | 107.9° | 60.1° |
| H221 | C22 | H222 | H223 | 120.0° | 119.9° |
| H19 | N19 | C21 | H21 | 152.5° | 145.0° |
| H21 | C21 | C23 | H231 | 179.1° | 180.0° |
| H21 | C21 | C23 | H232 | 58.7° | 60.0° |
| H21 | C21 | C27 | H271 | 59.1° | 60.0° |
| H21 | C21 | C27 | H272 | 179.9° | 179.9° |
| H231 | C23 | C24 | H241 | 54.8° | 60.0° |
| H231 | C23 | C24 | H242 | 175.9° | 180.0° |
| H232 | C23 | C24 | H241 | 65.6° | 60.0° |
| H232 | C23 | C24 | H242 | 55.5° | 60.1° |
| H271 | C27 | C26 | H261 | 66.2° | 60.0° |
| H271 | C27 | C26 | H262 | 54.8° | 60.0° |
| H272 | C27 | C26 | H261 | 54.6° | 60.0° |
| H272 | C27 | C26 | H262 | 175.6° | 180.0° |
| H241 | C24 | C25 | H251 | 51.3° | 60.0° |
| H241 | C24 | C25 | H252 | 70.1° | 60.0° |
| H242 | C24 | C25 | H251 | 172.3° | 179.9° |
| H242 | C24 | C25 | H252 | 51.0° | 60.0° |
| H251 | C25 | C26 | H261 | 50.4° | 60.0° |
| H251 | C25 | C26 | H262 | 171.4° | 180.0° |
| H252 | C25 | C26 | H261 | 71.0° | 60.0° |
| H252 | C25 | C26 | H262 | 50.1° | 60.0° |
| H57 | C57 | C58 | H58 | 0.2° | 0.0° |
| H58 | C58 | C59 | H59 | 0.0° | 0.1° |
| H671 | C67 | C68 | H681 | 132.8° | 60.0° |
| H671 | C67 | C68 | H682 | 12.8° | 60.0° |
| H671 | C67 | C68 | H683 | 107.2° | 180.0° |
| H672 | C67 | C68 | H681 | 107.2° | 180.0° |
| H672 | C67 | C68 | H682 | 132.8° | 60.0° |
| H672 | C67 | C68 | H683 | 12.8° | 60.0° |
| H681 | C68 | H682 | H683 | 120.0° | 120.0° |
| H78 | C78 | C79 | H79 | 0.0° | 26.3° |
| H78 | C78 | C79 | H7B | 119.1° | 97.5° |
| H7A | C78 | C79 | H79 | 118.5° | 148.3° |
| H7A | C78 | C79 | H7B | 0.6° | 24.5° |
| H79 | C79 | C80 | H801 | 0.1° | 25.4° |
| H79 | C79 | C80 | H802 | 118.2° | 148.1° |
| H7B | C79 | C80 | H801 | 119.1° | 98.4° |
| H7B | C79 | C80 | H802 | 0.9° | 24.3° |
