VG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.43Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.42Å | 1.42Å | Aromatic |
| C1 | N77 | sing | 1.37Å | 1.37Å | |
| C2 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | C7 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.43Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | O66 | sing | 1.42Å | 1.42Å | |
| C7 | N8 | sing | 1.37Å | 1.37Å | |
| C7 | O9 | doub | 1.23Å | 1.23Å | |
| N8 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | sing | 1.55Å | 1.55Å | |
| C10 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | C14 | sing | 1.52Å | 1.52Å | |
| C12 | O13 | sing | 1.42Å | 1.42Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C56 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C60 | doub | 1.43Å | 1.43Å | Aromatic |
| C15 | N16 | sing | 1.46Å | 1.46Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C17 | C22 | sing | 1.55Å | 1.55Å | |
| C18 | N19 | sing | 1.34Å | 1.34Å | |
| C18 | O20 | doub | 1.23Å | 1.23Å | |
| N19 | C21 | sing | 1.46Å | 1.46Å | |
| C21 | C23 | sing | 1.55Å | 1.55Å | |
| C21 | C27 | sing | 1.55Å | 1.55Å | |
| C23 | C24 | sing | 1.55Å | 1.55Å | |
| C24 | C25 | sing | 1.56Å | 1.56Å | |
| C25 | C26 | sing | 1.55Å | 1.55Å | |
| C26 | C27 | sing | 1.55Å | 1.55Å | |
| C56 | C57 | doub | 1.42Å | 1.42Å | Aromatic |
| C57 | C58 | sing | 1.42Å | 1.42Å | Aromatic |
| C58 | C59 | doub | 1.42Å | 1.42Å | Aromatic |
| C59 | C60 | sing | 1.42Å | 1.42Å | Aromatic |
| O66 | C67 | sing | 1.43Å | 1.43Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C68 | C71 | sing | 1.52Å | 1.52Å | |
| N77 | C78 | sing | 1.47Å | 1.47Å | |
| N77 | C81 | sing | 1.36Å | 1.36Å | |
| C78 | C79 | doub | 1.52Å | 1.52Å | |
| C79 | C80 | sing | 1.53Å | 1.53Å | |
| C80 | C81 | sing | 1.53Å | 1.53Å | |
| C81 | O88 | doub | 1.23Å | 1.23Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 1.00Å | 1.00Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| O13 | H13 | sing | 0.95Å | 0.95Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 1.00Å | 1.00Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C22 | H223 | sing | 1.10Å | 1.10Å | |
| N19 | H19 | sing | 1.00Å | 1.00Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 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 | 1.10Å | 1.10Å | |
| C67 | H672 | sing | 1.10Å | 1.10Å | |
| C68 | H681 | sing | 1.10Å | 1.10Å | |
| C68 | H682 | sing | 1.10Å | 1.10Å | |
| C71 | H711 | sing | 1.10Å | 1.10Å | |
| C71 | H712 | sing | 1.10Å | 1.10Å | |
| C71 | H713 | sing | 1.10Å | 1.10Å | |
| C78 | H78 | sing | 1.08Å | 1.08Å | |
| C79 | H79 | sing | 1.08Å | 1.08Å | |
| C80 | H801 | sing | 1.10Å | 1.10Å | |
| C80 | H802 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 119.5° |
| C2 | C1 | N77 | 120.8° | 120.8° |
| C1 | C2 | C3 | 120.4° | 120.4° |
| C1 | C2 | H2 | 119.8° | 119.8° |
| C6 | C1 | N77 | 119.7° | 119.7° |
| C1 | C6 | C5 | 121.6° | 121.6° |
| C1 | C6 | H6 | 119.2° | 119.2° |
| C1 | N77 | C78 | 120.2° | 120.2° |
| C1 | N77 | C81 | 126.7° | 126.7° |
| C2 | C3 | C4 | 119.2° | 119.2° |
| C2 | C3 | C7 | 123.4° | 123.4° |
| C3 | C2 | H2 | 119.8° | 119.8° |
| C4 | C3 | C7 | 117.5° | 117.5° |
| C3 | C4 | C5 | 121.3° | 121.3° |
| C3 | C4 | H4 | 119.3° | 119.3° |
| C3 | C7 | N8 | 116.7° | 116.7° |
| C3 | C7 | O9 | 122.1° | 122.1° |
| C4 | C5 | C6 | 118.1° | 118.1° |
| C4 | C5 | O66 | 119.1° | 119.1° |
| C5 | C4 | H4 | 119.4° | 119.4° |
| C6 | C5 | O66 | 122.7° | 122.7° |
| C5 | C6 | H6 | 119.2° | 119.2° |
| C5 | O66 | C67 | 119.7° | 119.7° |
| N8 | C7 | O9 | 121.1° | 121.1° |
| C7 | N8 | C10 | 121.7° | 121.7° |
| C7 | N8 | H8 | 119.1° | 119.1° |
| N8 | C10 | C11 | 108.2° | 108.2° |
| N8 | C10 | C12 | 111.3° | 111.3° |
| C10 | N8 | H8 | 119.1° | 119.1° |
| N8 | C10 | H10 | 110.0° | 110.0° |
| C11 | C10 | C12 | 112.1° | 112.1° |
| C10 | C11 | C14 | 114.1° | 114.1° |
| C11 | C10 | H10 | 109.2° | 109.2° |
| C10 | C11 | H111 | 108.0° | 108.0° |
| C10 | C11 | H112 | 106.9° | 106.9° |
| C10 | C12 | O13 | 109.7° | 109.7° |
| C10 | C12 | C15 | 111.7° | 111.7° |
| C12 | C10 | H10 | 105.9° | 106.0° |
| C10 | C12 | H12 | 107.2° | 107.2° |
| C11 | C14 | C56 | 119.4° | 119.4° |
| C11 | C14 | C60 | 122.0° | 122.0° |
| C14 | C11 | H111 | 108.0° | 108.0° |
| C14 | C11 | H112 | 106.9° | 106.9° |
| O13 | C12 | C15 | 107.8° | 107.8° |
| O13 | C12 | H12 | 111.3° | 111.3° |
| C12 | O13 | H13 | 109.5° | 109.5° |
| C12 | C15 | N16 | 110.4° | 110.4° |
| C15 | C12 | H12 | 109.2° | 109.2° |
| C12 | C15 | H151 | 109.2° | 109.2° |
| C12 | C15 | H152 | 109.0° | 109.0° |
| C56 | C14 | C60 | 118.6° | 118.6° |
| C14 | C56 | C57 | 120.7° | 120.7° |
| C14 | C56 | H56 | 119.6° | 119.6° |
| C14 | C60 | C59 | 120.9° | 120.9° |
| C14 | C60 | H60 | 119.5° | 119.5° |
| C15 | N16 | C17 | 123.0° | 123.0° |
| N16 | C15 | H151 | 109.2° | 109.2° |
| N16 | C15 | H152 | 109.0° | 109.0° |
| C15 | N16 | H16 | 105.2° | 105.2° |
| N16 | C17 | C18 | 107.8° | 107.8° |
| N16 | C17 | C22 | 110.6° | 110.6° |
| C17 | N16 | H16 | 105.2° | 105.2° |
| N16 | C17 | H17 | 110.3° | 110.3° |
| C18 | C17 | C22 | 110.8° | 110.8° |
| C17 | C18 | N19 | 113.1° | 113.1° |
| C17 | C18 | O20 | 121.6° | 121.6° |
| C18 | C17 | H17 | 110.1° | 110.1° |
| C22 | C17 | H17 | 107.3° | 107.3° |
| C17 | C22 | H221 | 109.5° | 109.5° |
| C17 | C22 | H222 | 109.4° | 109.4° |
| C17 | C22 | H223 | 109.5° | 109.5° |
| N19 | C18 | O20 | 125.3° | 125.3° |
| C18 | N19 | C21 | 122.4° | 122.4° |
| C18 | N19 | H19 | 118.8° | 118.8° |
| N19 | C21 | C23 | 110.0° | 110.0° |
| N19 | C21 | C27 | 109.9° | 109.9° |
| C21 | N19 | H19 | 118.8° | 118.8° |
| N19 | C21 | H21 | 109.2° | 109.2° |
| C23 | C21 | C27 | 110.6° | 110.6° |
| C21 | C23 | C24 | 110.5° | 110.5° |
| C23 | C21 | H21 | 108.4° | 108.4° |
| C21 | C23 | H231 | 109.1° | 109.1° |
| C21 | C23 | H232 | 108.9° | 108.9° |
| C21 | C27 | C26 | 110.8° | 110.8° |
| C27 | C21 | H21 | 108.6° | 108.6° |
| C21 | C27 | H271 | 109.1° | 109.1° |
| C21 | C27 | H272 | 108.7° | 108.7° |
| C23 | C24 | C25 | 111.8° | 111.8° |
| C24 | C23 | H231 | 109.1° | 109.1° |
| C24 | C23 | H232 | 108.9° | 108.9° |
| C23 | C24 | H241 | 108.7° | 108.7° |
| C23 | C24 | H242 | 108.2° | 108.2° |
| C24 | C25 | C26 | 112.0° | 112.0° |
| C25 | C24 | H241 | 108.7° | 108.7° |
| C25 | C24 | H242 | 108.2° | 108.2° |
| C24 | C25 | H251 | 108.6° | 108.6° |
| C24 | C25 | H252 | 108.1° | 108.1° |
| C25 | C26 | C27 | 111.6° | 111.6° |
| C26 | C25 | H251 | 108.7° | 108.7° |
| C26 | C25 | H252 | 108.1° | 108.1° |
| C25 | C26 | H261 | 108.8° | 108.8° |
| C25 | C26 | H262 | 108.3° | 108.3° |
| C26 | C27 | H271 | 109.0° | 109.0° |
| C26 | C27 | H272 | 108.7° | 108.7° |
| C27 | C26 | H261 | 108.7° | 108.7° |
| C27 | C26 | H262 | 108.3° | 108.3° |
| C56 | C57 | C58 | 120.2° | 120.2° |
| C57 | C56 | H56 | 119.6° | 119.6° |
| C56 | C57 | H57 | 119.9° | 119.9° |
| C57 | C58 | C59 | 119.7° | 119.7° |
| C58 | C57 | H57 | 119.9° | 119.9° |
| C57 | C58 | H58 | 120.1° | 120.1° |
| C58 | C59 | C60 | 119.9° | 119.9° |
| C59 | C58 | H58 | 120.2° | 120.2° |
| C58 | C59 | H59 | 120.0° | 120.0° |
| C59 | C60 | H60 | 119.6° | 119.6° |
| C60 | C59 | H59 | 120.0° | 120.0° |
| O66 | C67 | C68 | 109.0° | 109.0° |
| O66 | C67 | H671 | 109.6° | 109.6° |
| O66 | C67 | H672 | 109.7° | 109.7° |
| C67 | C68 | C71 | 111.9° | 111.9° |
| C68 | C67 | H671 | 109.6° | 109.6° |
| C68 | C67 | H672 | 109.7° | 109.7° |
| C67 | C68 | H681 | 108.7° | 108.7° |
| C67 | C68 | H682 | 108.2° | 108.2° |
| C71 | C68 | H681 | 108.7° | 108.7° |
| C71 | C68 | H682 | 108.1° | 108.1° |
| C68 | C71 | H711 | 109.5° | 109.5° |
| C68 | C71 | H712 | 109.5° | 109.5° |
| C68 | C71 | H713 | 109.4° | 109.4° |
| C78 | N77 | C81 | 113.0° | 113.0° |
| N77 | C78 | C79 | 105.6° | 105.6° |
| N77 | C78 | H78 | 127.2° | 127.2° |
| N77 | C81 | C80 | 109.6° | 109.6° |
| N77 | C81 | O88 | 127.6° | 127.6° |
| C78 | C79 | C80 | 107.1° | 107.1° |
| C79 | C78 | H78 | 127.2° | 127.2° |
| C78 | C79 | H79 | 126.5° | 126.5° |
| C79 | C80 | C81 | 104.6° | 104.6° |
| C80 | C79 | H79 | 126.4° | 126.5° |
| C79 | C80 | H801 | 111.1° | 111.1° |
| C79 | C80 | H802 | 112.2° | 112.2° |
| C80 | C81 | O88 | 122.8° | 122.8° |
| C81 | C80 | H801 | 111.1° | 111.1° |
| C81 | C80 | H802 | 112.2° | 112.2° |
| H111 | C11 | H112 | 113.1° | 113.1° |
| H151 | C15 | H152 | 110.2° | 110.2° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 110.3° | 110.3° |
| H271 | C27 | H272 | 110.5° | 110.5° |
| H241 | C24 | H242 | 111.3° | 111.3° |
| H251 | C25 | H252 | 111.4° | 111.4° |
| H261 | C26 | H262 | 111.2° | 111.2° |
| H671 | C67 | H672 | 109.1° | 109.1° |
| H681 | C68 | H682 | 111.4° | 111.4° |
| H711 | C71 | H712 | 109.5° | 109.5° |
| H711 | C71 | H713 | 109.5° | 109.5° |
| H712 | C71 | H713 | 109.5° | 109.5° |
| H801 | C80 | H802 | 105.8° | 105.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N77 | 179.4° | 179.4° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.2° |
| C1 | C2 | C3 | C7 | 179.1° | 179.1° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | N77 | C78 | 55.3° | 55.3° |
| C2 | C1 | N77 | C81 | 126.4° | 126.4° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | O66 | 179.8° | 179.8° |
| C6 | C1 | N77 | C78 | 124.1° | 124.1° |
| C6 | C1 | N77 | C81 | 54.3° | 54.3° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| N77 | C1 | C2 | C3 | 179.4° | 179.4° |
| N77 | C1 | C6 | C5 | 179.5° | 179.5° |
| C1 | N77 | C78 | C81 | 178.6° | 178.6° |
| C1 | N77 | C78 | C79 | 179.5° | 179.5° |
| C1 | N77 | C81 | C80 | 178.1° | 178.1° |
| C1 | N77 | C81 | O88 | 1.3° | 1.3° |
| N77 | C1 | C2 | H2 | 0.6° | 0.6° |
| N77 | C1 | C6 | H6 | 0.5° | 0.6° |
| C1 | N77 | C78 | H78 | 0.6° | 0.6° |
| C2 | C3 | C4 | C7 | 179.0° | 179.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C2 | C3 | C7 | N8 | 138.7° | 138.7° |
| C2 | C3 | C7 | O9 | 43.6° | 43.6° |
| C2 | C3 | C4 | H4 | 179.7° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C3 | C4 | C5 | O66 | 180.0° | 180.0° |
| C4 | C3 | C7 | N8 | 42.4° | 42.4° |
| C4 | C3 | C7 | O9 | 135.3° | 135.3° |
| C4 | C3 | C2 | H2 | 179.8° | 179.8° |
| C7 | C3 | C4 | C5 | 179.3° | 179.3° |
| C3 | C7 | N8 | O9 | 177.8° | 177.8° |
| C3 | C7 | N8 | C10 | 176.6° | 176.6° |
| C7 | C3 | C2 | H2 | 0.9° | 0.9° |
| C7 | C3 | C4 | H4 | 0.7° | 0.7° |
| C3 | C7 | N8 | H8 | 3.3° | 3.3° |
| C4 | C5 | C6 | O66 | 179.6° | 179.6° |
| C4 | C5 | O66 | C67 | 15.3° | 15.3° |
| C4 | C5 | C6 | H6 | 179.8° | 179.8° |
| C6 | C5 | O66 | C67 | 165.1° | 165.1° |
| C6 | C5 | C4 | H4 | 179.6° | 179.6° |
| C5 | O66 | C67 | C68 | 89.7° | 89.7° |
| O66 | C5 | C6 | H6 | 0.2° | 0.2° |
| O66 | C5 | C4 | H4 | 0.0° | 0.0° |
| C5 | O66 | C67 | H671 | 30.2° | 30.3° |
| C5 | O66 | C67 | H672 | 150.1° | 150.1° |
| C7 | N8 | C10 | H8 | 180.0° | 180.0° |
| C7 | N8 | C10 | C11 | 133.2° | 133.2° |
| C7 | N8 | C10 | C12 | 103.2° | 103.2° |
| C7 | N8 | C10 | H10 | 13.9° | 13.9° |
| O9 | C7 | N8 | C10 | 1.1° | 1.1° |
| O9 | C7 | N8 | H8 | 178.9° | 178.9° |
| N8 | C10 | C11 | C12 | 123.1° | 123.1° |
| N8 | C10 | C11 | H10 | 119.8° | 119.7° |
| N8 | C10 | C12 | H10 | 119.6° | 119.6° |
| N8 | C10 | C11 | C14 | 39.9° | 39.9° |
| N8 | C10 | C12 | O13 | 175.5° | 175.5° |
| N8 | C10 | C12 | C15 | 65.0° | 65.0° |
| N8 | C10 | C11 | H111 | 80.1° | 80.1° |
| N8 | C10 | C11 | H112 | 157.9° | 157.9° |
| N8 | C10 | C12 | H12 | 54.6° | 54.6° |
| C11 | C10 | C12 | H10 | 119.1° | 119.1° |
| C10 | C11 | C14 | H111 | 120.0° | 120.0° |
| C10 | C11 | C14 | H112 | 118.0° | 118.0° |
| C11 | C10 | C12 | O13 | 54.2° | 54.2° |
| C11 | C10 | C12 | C15 | 173.6° | 173.6° |
| C10 | C11 | C14 | C56 | 129.1° | 129.1° |
| C10 | C11 | C14 | C60 | 51.0° | 51.0° |
| C11 | C10 | N8 | H8 | 46.8° | 46.8° |
| C10 | C11 | H111 | H112 | 118.1° | 118.1° |
| C11 | C10 | C12 | H12 | 66.8° | 66.8° |
| C12 | C10 | C11 | C14 | 163.0° | 163.0° |
| C10 | C12 | O13 | C15 | 121.8° | 121.8° |
| C10 | C12 | O13 | H12 | 118.5° | 118.5° |
| C10 | C12 | C15 | H12 | 118.4° | 118.4° |
| C10 | C12 | C15 | N16 | 163.6° | 163.6° |
| C12 | C10 | N8 | H8 | 76.8° | 76.8° |
| C12 | C10 | C11 | H111 | 43.0° | 43.0° |
| C12 | C10 | C11 | H112 | 79.0° | 79.0° |
| C10 | C12 | O13 | H13 | 146.1° | 146.1° |
| C10 | C12 | C15 | H151 | 76.4° | 76.4° |
| C10 | C12 | C15 | H152 | 44.0° | 44.0° |
| C11 | C14 | C56 | C60 | 180.0° | 180.0° |
| C11 | C14 | C56 | C57 | 179.9° | 179.9° |
| C11 | C14 | C60 | C59 | 179.8° | 179.8° |
| C14 | C11 | C10 | H10 | 79.9° | 79.8° |
| C14 | C11 | H111 | H112 | 118.1° | 118.1° |
| C11 | C14 | C56 | H56 | 0.1° | 0.1° |
| C11 | C14 | C60 | H60 | 0.2° | 0.2° |
| O13 | C12 | C15 | H12 | 121.0° | 121.0° |
| O13 | C12 | C15 | N16 | 43.0° | 43.0° |
| O13 | C12 | C10 | H10 | 64.9° | 64.9° |
| O13 | C12 | C15 | H151 | 163.0° | 163.0° |
| O13 | C12 | C15 | H152 | 76.6° | 76.6° |
| C12 | C15 | N16 | H151 | 120.0° | 120.0° |
| C12 | C15 | N16 | H152 | 119.6° | 119.6° |
| C12 | C15 | N16 | C17 | 149.6° | 149.6° |
| C15 | C12 | C10 | H10 | 54.6° | 54.6° |
| C15 | C12 | O13 | H13 | 24.2° | 24.3° |
| C12 | C15 | H151 | H152 | 119.6° | 119.6° |
| C12 | C15 | N16 | H16 | 29.6° | 29.6° |
| C14 | C56 | C57 | H56 | 180.0° | 180.0° |
| C14 | C56 | C57 | C58 | 0.1° | 0.1° |
| C56 | C14 | C60 | C59 | 0.3° | 0.3° |
| C56 | C14 | C11 | H111 | 9.1° | 9.1° |
| C56 | C14 | C11 | H112 | 112.9° | 112.9° |
| C56 | C14 | C60 | H60 | 179.7° | 179.7° |
| C14 | C56 | C57 | H57 | 179.9° | 179.9° |
| C60 | C14 | C56 | C57 | 0.2° | 0.2° |
| C14 | C60 | C59 | C58 | 0.2° | 0.2° |
| C14 | C60 | C59 | H60 | 180.0° | 180.0° |
| C60 | C14 | C11 | H111 | 170.9° | 170.9° |
| C60 | C14 | C11 | H112 | 67.0° | 67.0° |
| C60 | C14 | C56 | H56 | 179.8° | 179.8° |
| C14 | C60 | C59 | H59 | 179.8° | 179.8° |
| C15 | N16 | C17 | H16 | 120.0° | 120.0° |
| C15 | N16 | C17 | C18 | 61.9° | 61.9° |
| C15 | N16 | C17 | C22 | 59.4° | 59.4° |
| N16 | C15 | C12 | H12 | 78.0° | 78.0° |
| N16 | C15 | H151 | H152 | 119.6° | 119.6° |
| C15 | N16 | C17 | H17 | 177.9° | 177.9° |
| N16 | C17 | C18 | C22 | 121.2° | 121.2° |
| N16 | C17 | C18 | H17 | 120.3° | 120.3° |
| N16 | C17 | C22 | H17 | 120.3° | 120.3° |
| N16 | C17 | C18 | N19 | 83.3° | 83.3° |
| N16 | C17 | C18 | O20 | 96.1° | 96.1° |
| C17 | N16 | C15 | H151 | 90.5° | 90.5° |
| C17 | N16 | C15 | H152 | 29.9° | 29.9° |
| N16 | C17 | C22 | H221 | 107.7° | 107.7° |
| N16 | C17 | C22 | H222 | 132.3° | 132.3° |
| N16 | C17 | C22 | H223 | 12.3° | 12.3° |
| C18 | C17 | C22 | H17 | 120.2° | 120.2° |
| C17 | C18 | N19 | O20 | 179.3° | 179.3° |
| C17 | C18 | N19 | C21 | 179.3° | 179.3° |
| C18 | C17 | N16 | H16 | 58.1° | 58.1° |
| C18 | C17 | C22 | H221 | 11.9° | 11.9° |
| C18 | C17 | C22 | H222 | 108.1° | 108.1° |
| C18 | C17 | C22 | H223 | 131.8° | 131.8° |
| C17 | C18 | N19 | H19 | 0.6° | 0.6° |
| C22 | C17 | C18 | N19 | 155.5° | 155.5° |
| C22 | C17 | C18 | O20 | 25.1° | 25.1° |
| C22 | C17 | N16 | H16 | 179.4° | 179.4° |
| C17 | C22 | H221 | H222 | 120.0° | 120.0° |
| C17 | C22 | H221 | H223 | 120.0° | 120.0° |
| C17 | C22 | H222 | H223 | 120.0° | 120.0° |
| C18 | N19 | C21 | H19 | 180.0° | 180.0° |
| C18 | N19 | C21 | C23 | 96.2° | 96.2° |
| C18 | N19 | C21 | C27 | 141.8° | 141.8° |
| N19 | C18 | C17 | H17 | 37.0° | 37.0° |
| C18 | N19 | C21 | H21 | 22.7° | 22.7° |
| O20 | C18 | N19 | C21 | 0.0° | 0.0° |
| O20 | C18 | C17 | H17 | 143.6° | 143.6° |
| O20 | C18 | N19 | H19 | 180.0° | 180.0° |
| N19 | C21 | C23 | C27 | 121.6° | 121.6° |
| N19 | C21 | C23 | H21 | 119.4° | 119.4° |
| N19 | C21 | C27 | H21 | 119.4° | 119.4° |
| N19 | C21 | C23 | C24 | 179.7° | 179.7° |
| N19 | C21 | C27 | C26 | 179.8° | 179.8° |
| N19 | C21 | C23 | H231 | 59.7° | 59.7° |
| N19 | C21 | C23 | H232 | 60.7° | 60.7° |
| N19 | C21 | C27 | H271 | 60.2° | 60.2° |
| N19 | C21 | C27 | H272 | 60.3° | 60.3° |
| C23 | C21 | C27 | H21 | 118.9° | 118.9° |
| C21 | C23 | C24 | H231 | 120.0° | 120.0° |
| C21 | C23 | C24 | H232 | 119.6° | 119.6° |
| C21 | C23 | C24 | C25 | 55.4° | 55.4° |
| C23 | C21 | C27 | C26 | 58.1° | 58.1° |
| C23 | C21 | N19 | H19 | 83.8° | 83.8° |
| C21 | C23 | H231 | H232 | 119.5° | 119.5° |
| C23 | C21 | C27 | H271 | 178.1° | 178.1° |
| C23 | C21 | C27 | H272 | 61.4° | 61.4° |
| C21 | C23 | C24 | H241 | 175.4° | 175.4° |
| C21 | C23 | C24 | H242 | 63.6° | 63.6° |
| C27 | C21 | C23 | C24 | 58.1° | 58.1° |
| C21 | C27 | C26 | C25 | 55.2° | 55.2° |
| C21 | C27 | C26 | H271 | 120.0° | 120.0° |
| C21 | C27 | C26 | H272 | 119.4° | 119.4° |
| C27 | C21 | N19 | H19 | 38.2° | 38.2° |
| C27 | C21 | C23 | H231 | 61.9° | 61.9° |
| C27 | C21 | C23 | H232 | 177.7° | 177.7° |
| C21 | C27 | H271 | H272 | 119.5° | 119.5° |
| C21 | C27 | C26 | H261 | 175.2° | 175.2° |
| C21 | C27 | C26 | H262 | 63.9° | 63.9° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 119.0° | 119.0° |
| C23 | C24 | C25 | C26 | 52.8° | 52.8° |
| C24 | C23 | C21 | H21 | 60.9° | 60.9° |
| C24 | C23 | H231 | H232 | 119.6° | 119.6° |
| C23 | C24 | H241 | H242 | 119.1° | 119.1° |
| C23 | C24 | C25 | H251 | 67.2° | 67.2° |
| C23 | C24 | C25 | H252 | 171.8° | 171.8° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 118.9° | 118.9° |
| C24 | C25 | C26 | C27 | 52.6° | 52.6° |
| C25 | C24 | C23 | H231 | 64.6° | 64.6° |
| C25 | C24 | C23 | H232 | 175.0° | 175.0° |
| C25 | C24 | H241 | H242 | 119.1° | 119.1° |
| C24 | C25 | H251 | H252 | 119.0° | 119.0° |
| C24 | C25 | C26 | H261 | 172.6° | 172.6° |
| C24 | C25 | C26 | H262 | 66.5° | 66.5° |
| C25 | C26 | C27 | H261 | 120.0° | 120.0° |
| C25 | C26 | C27 | H262 | 119.1° | 119.1° |
| C25 | C26 | C27 | H271 | 175.2° | 175.2° |
| C25 | C26 | C27 | H272 | 64.2° | 64.2° |
| C26 | C25 | C24 | H241 | 172.9° | 172.9° |
| C26 | C25 | C24 | H242 | 66.2° | 66.2° |
| C26 | C25 | H251 | H252 | 119.0° | 119.0° |
| C25 | C26 | H261 | H262 | 119.1° | 119.1° |
| C26 | C27 | C21 | H21 | 60.8° | 60.8° |
| C26 | C27 | H271 | H272 | 119.5° | 119.5° |
| C27 | C26 | C25 | H251 | 67.4° | 67.4° |
| C27 | C26 | C25 | H252 | 171.6° | 171.6° |
| C27 | C26 | H261 | H262 | 119.1° | 119.1° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.2° | 0.2° |
| C56 | C57 | C58 | H58 | 179.8° | 179.8° |
| C57 | C58 | C59 | H58 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 0.0° | 0.0° |
| C58 | C57 | C56 | H56 | 180.0° | 180.0° |
| C57 | C58 | C59 | H59 | 180.0° | 180.0° |
| C58 | C59 | C60 | H59 | 180.0° | 180.0° |
| C58 | C59 | C60 | H60 | 179.8° | 179.8° |
| C59 | C58 | C57 | H57 | 179.8° | 179.8° |
| C60 | C59 | C58 | H58 | 179.9° | 179.9° |
| O66 | C67 | C68 | H671 | 120.0° | 120.0° |
| O66 | C67 | C68 | H672 | 120.2° | 120.2° |
| O66 | C67 | C68 | C71 | 178.8° | 178.8° |
| O66 | C67 | H671 | H672 | 120.2° | 120.2° |
| O66 | C67 | C68 | H681 | 61.2° | 61.2° |
| O66 | C67 | C68 | H682 | 59.9° | 59.9° |
| C67 | C68 | C71 | H681 | 120.0° | 120.0° |
| C67 | C68 | C71 | H682 | 119.0° | 119.0° |
| C68 | C67 | H671 | H672 | 120.2° | 120.2° |
| C67 | C68 | H681 | H682 | 119.0° | 119.0° |
| C67 | C68 | C71 | H711 | 175.8° | 175.8° |
| C67 | C68 | C71 | H712 | 64.2° | 64.2° |
| C67 | C68 | C71 | H713 | 55.8° | 55.8° |
| C71 | C68 | C67 | H671 | 58.9° | 58.8° |
| C71 | C68 | C67 | H672 | 61.0° | 61.0° |
| C71 | C68 | H681 | H682 | 119.0° | 119.0° |
| C68 | C71 | H711 | H712 | 120.0° | 120.0° |
| C68 | C71 | H711 | H713 | 120.0° | 120.0° |
| C68 | C71 | H712 | H713 | 120.0° | 120.0° |
| N77 | C78 | C79 | H78 | 180.0° | 180.0° |
| N77 | C78 | C79 | C80 | 1.7° | 1.7° |
| C78 | N77 | C81 | C80 | 0.3° | 0.3° |
| C78 | N77 | C81 | O88 | 179.8° | 179.8° |
| N77 | C78 | C79 | H79 | 178.3° | 178.3° |
| C81 | N77 | C78 | C79 | 0.9° | 0.9° |
| N77 | C81 | C80 | C79 | 1.4° | 1.4° |
| N77 | C81 | C80 | O88 | 179.5° | 179.5° |
| C81 | N77 | C78 | H78 | 179.1° | 179.1° |
| N77 | C81 | C80 | H801 | 118.6° | 118.6° |
| N77 | C81 | C80 | H802 | 123.2° | 123.2° |
| C78 | C79 | C80 | H79 | 180.0° | 180.0° |
| C78 | C79 | C80 | C81 | 1.9° | 1.9° |
| C78 | C79 | C80 | H801 | 118.1° | 118.1° |
| C78 | C79 | C80 | H802 | 123.7° | 123.7° |
| C79 | C80 | C81 | H801 | 120.0° | 120.0° |
| C79 | C80 | C81 | H802 | 121.8° | 121.8° |
| C79 | C80 | C81 | O88 | 179.1° | 179.1° |
| C80 | C79 | C78 | H78 | 178.3° | 178.3° |
| C79 | C80 | H801 | H802 | 122.0° | 122.0° |
| C81 | C80 | C79 | H79 | 178.1° | 178.2° |
| C81 | C80 | H801 | H802 | 122.0° | 122.0° |
| O88 | C81 | C80 | H801 | 60.9° | 60.9° |
| O88 | C81 | C80 | H802 | 57.3° | 57.3° |
| H8 | N8 | C10 | H10 | 166.1° | 166.0° |
| H10 | C10 | C11 | H111 | 160.1° | 160.2° |
| H10 | C10 | C11 | H112 | 38.1° | 38.2° |
| H10 | C10 | C12 | H12 | 174.2° | 174.2° |
| H12 | C12 | O13 | H13 | 95.4° | 95.4° |
| H12 | C12 | C15 | H151 | 42.0° | 42.0° |
| H12 | C12 | C15 | H152 | 162.4° | 162.4° |
| H151 | C15 | N16 | H16 | 149.6° | 149.6° |
| H152 | C15 | N16 | H16 | 90.1° | 90.1° |
| H56 | C56 | C57 | H57 | 0.1° | 0.1° |
| H60 | C60 | C59 | H59 | 0.2° | 0.2° |
| H16 | N16 | C17 | H17 | 62.2° | 62.2° |
| H17 | C17 | C22 | H221 | 132.0° | 132.0° |
| H17 | C17 | C22 | H222 | 12.0° | 12.0° |
| H17 | C17 | C22 | H223 | 108.0° | 108.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H19 | N19 | C21 | H21 | 157.2° | 157.2° |
| H21 | C21 | C23 | H231 | 179.1° | 179.1° |
| H21 | C21 | C23 | H232 | 58.7° | 58.7° |
| H21 | C21 | C27 | H271 | 59.2° | 59.2° |
| H21 | C21 | C27 | H272 | 179.7° | 179.7° |
| H231 | C23 | C24 | H241 | 55.4° | 55.4° |
| H231 | C23 | C24 | H242 | 176.4° | 176.4° |
| H232 | C23 | C24 | H241 | 65.0° | 65.0° |
| H232 | C23 | C24 | H242 | 55.9° | 55.9° |
| H271 | C27 | C26 | H261 | 64.8° | 64.8° |
| H271 | C27 | C26 | H262 | 56.1° | 56.1° |
| H272 | C27 | C26 | H261 | 55.8° | 55.8° |
| H272 | C27 | C26 | H262 | 176.7° | 176.7° |
| H241 | C24 | C25 | H251 | 52.9° | 52.9° |
| H241 | C24 | C25 | H252 | 68.2° | 68.2° |
| H242 | C24 | C25 | H251 | 173.8° | 173.8° |
| H242 | C24 | C25 | H252 | 52.8° | 52.8° |
| H251 | C25 | C26 | H261 | 52.6° | 52.6° |
| H251 | C25 | C26 | H262 | 173.5° | 173.5° |
| H252 | C25 | C26 | H261 | 68.4° | 68.4° |
| H252 | C25 | C26 | H262 | 52.5° | 52.5° |
| H57 | C57 | C58 | H58 | 0.2° | 0.2° |
| H58 | C58 | C59 | H59 | 0.1° | 0.1° |
| H671 | C67 | C68 | H681 | 178.9° | 178.8° |
| H671 | C67 | C68 | H682 | 60.1° | 60.1° |
| H672 | C67 | C68 | H681 | 59.0° | 59.0° |
| H672 | C67 | C68 | H682 | 179.9° | 179.9° |
| H681 | C68 | C71 | H711 | 55.8° | 55.8° |
| H681 | C68 | C71 | H712 | 175.8° | 175.8° |
| H681 | C68 | C71 | H713 | 64.2° | 64.2° |
| H682 | C68 | C71 | H711 | 65.2° | 65.2° |
| H682 | C68 | C71 | H712 | 54.8° | 54.8° |
| H682 | C68 | C71 | H713 | 174.8° | 174.8° |
| H711 | C71 | H712 | H713 | 120.0° | 120.0° |
| H78 | C78 | C79 | H79 | 1.7° | 1.7° |
| H79 | C79 | C80 | H801 | 61.9° | 61.9° |
| H79 | C79 | C80 | H802 | 56.3° | 56.3° |
