G4G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| O2 | C8 | doub | 1.22Å | 1.22Å | |
| N2 | C9 | sing | 1.35Å | 1.35Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C2 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | C9 | doub | 1.22Å | 1.23Å | |
| N1 | C8 | sing | 1.35Å | 1.33Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| C3 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C9 | sing | 1.48Å | 1.47Å | |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | sing | 1.48Å | 1.51Å | |
| C7 | N28 | sing | 1.47Å | 1.50Å | |
| C7 | C12 | sing | 1.51Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| S8 | N28 | sing | 1.66Å | 1.69Å | |
| S8 | O10 | doub | 1.42Å | 1.48Å | |
| S8 | C26 | sing | 1.76Å | 1.73Å | |
| S8 | O41 | doub | 1.42Å | 1.48Å | |
| S9 | O40 | doub | 1.42Å | 1.44Å | |
| S9 | C27 | sing | 1.76Å | 1.78Å | |
| S9 | N32 | sing | 1.66Å | 1.70Å | |
| S9 | O11 | doub | 1.42Å | 1.46Å | |
| C12 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C30 | doub | 1.38Å | 1.44Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | N22 | sing | 1.48Å | 1.50Å | |
| C21 | C23 | sing | 1.55Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N22 | C25 | sing | 1.47Å | 1.46Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å | |
| C23 | C24 | sing | 1.55Å | 1.59Å | |
| C23 | N28 | sing | 1.46Å | 1.49Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | N32 | sing | 1.47Å | 1.49Å | |
| C24 | C25 | sing | 1.54Å | 1.57Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C29 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.38Å | 1.45Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | C33 | sing | 1.46Å | 1.48Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C17 | 120.1° | 119.8° |
| C4 | C1 | H1 | 120.0° | 120.1° |
| C1 | C4 | C3 | 120.4° | 119.7° |
| C1 | C4 | C9 | 118.4° | 120.1° |
| C17 | C1 | H1 | 119.9° | 120.1° |
| C1 | C17 | C26 | 120.0° | 120.2° |
| C1 | C17 | H17 | 120.0° | 119.9° |
| O2 | C8 | N1 | 123.6° | 120.0° |
| O2 | C8 | C6 | 116.0° | 120.0° |
| C9 | N2 | HN21 | 111.9° | 120.0° |
| C9 | N2 | HN2A | 124.1° | 120.0° |
| N2 | C9 | O1 | 119.4° | 120.0° |
| N2 | C9 | C4 | 119.5° | 120.0° |
| HN21 | N2 | HN2A | 124.1° | 120.0° |
| C18 | C2 | C6 | 118.0° | 119.8° |
| C18 | C2 | H2 | 121.0° | 120.1° |
| C2 | C18 | C27 | 119.7° | 120.2° |
| C2 | C18 | H18 | 120.1° | 119.9° |
| C6 | C2 | H2 | 121.0° | 120.1° |
| C2 | C6 | C5 | 123.0° | 119.7° |
| C2 | C6 | C8 | 117.3° | 120.1° |
| O1 | C9 | C4 | 121.1° | 120.0° |
| C8 | N1 | HN11 | 113.1° | 120.0° |
| C8 | N1 | HN12 | 123.4° | 119.9° |
| N1 | C8 | C6 | 120.4° | 120.0° |
| HN11 | N1 | HN12 | 123.4° | 120.0° |
| C19 | C3 | C4 | 118.3° | 119.9° |
| C19 | C3 | H3 | 120.8° | 120.0° |
| C3 | C19 | C26 | 122.1° | 120.1° |
| C3 | C19 | H19 | 119.0° | 119.9° |
| C4 | C3 | H3 | 120.9° | 120.1° |
| C3 | C4 | C9 | 121.1° | 120.2° |
| C6 | C5 | C20 | 118.2° | 119.9° |
| C6 | C5 | H5 | 120.9° | 120.1° |
| C5 | C6 | C8 | 119.5° | 120.2° |
| C20 | C5 | H5 | 120.9° | 120.0° |
| C5 | C20 | C27 | 119.2° | 120.1° |
| C5 | C20 | H20 | 120.4° | 120.0° |
| N28 | C7 | C12 | 110.5° | 109.5° |
| N28 | C7 | H71 | 109.1° | 109.4° |
| N28 | C7 | H72 | 108.9° | 109.5° |
| C7 | N28 | S8 | 114.6° | 120.0° |
| C7 | N28 | C23 | 130.4° | 120.0° |
| C12 | C7 | H71 | 109.2° | 109.5° |
| C12 | C7 | H72 | 108.9° | 109.5° |
| C7 | C12 | C14 | 121.3° | 120.0° |
| C7 | C12 | C13 | 117.7° | 120.0° |
| H71 | C7 | H72 | 110.2° | 109.5° |
| N28 | S8 | O10 | 105.9° | 106.4° |
| N28 | S8 | C26 | 109.1° | 107.2° |
| N28 | S8 | O41 | 103.7° | 106.4° |
| S8 | N28 | C23 | 114.9° | 120.0° |
| O10 | S8 | C26 | 111.7° | 106.4° |
| O10 | S8 | O41 | 117.1° | 123.2° |
| C26 | S8 | O41 | 108.9° | 106.4° |
| S8 | C26 | C17 | 123.8° | 119.9° |
| S8 | C26 | C19 | 117.4° | 119.9° |
| O40 | S9 | C27 | 106.3° | 106.4° |
| O40 | S9 | N32 | 106.6° | 106.4° |
| O40 | S9 | O11 | 125.0° | 123.1° |
| C27 | S9 | N32 | 97.6° | 107.2° |
| C27 | S9 | O11 | 106.6° | 106.4° |
| S9 | C27 | C18 | 122.3° | 119.9° |
| S9 | C27 | C20 | 116.1° | 119.8° |
| N32 | S9 | O11 | 111.2° | 106.4° |
| S9 | N32 | C24 | 115.8° | 120.0° |
| S9 | N32 | C33 | 117.1° | 120.0° |
| C14 | C12 | C13 | 120.9° | 120.0° |
| C12 | C14 | C30 | 125.3° | 120.0° |
| C12 | C14 | H14 | 117.4° | 120.0° |
| C12 | C13 | C29 | 113.3° | 120.0° |
| C12 | C13 | H13 | 123.3° | 120.0° |
| C29 | C13 | H13 | 123.4° | 120.0° |
| C13 | C29 | C31 | 126.5° | 120.0° |
| C13 | C29 | H29 | 116.8° | 120.0° |
| C30 | C14 | H14 | 117.3° | 120.0° |
| C14 | C30 | C31 | 113.9° | 120.0° |
| C14 | C30 | H30 | 123.1° | 120.0° |
| C26 | C17 | H17 | 120.0° | 119.9° |
| C17 | C26 | C19 | 118.8° | 120.3° |
| C27 | C18 | H18 | 120.1° | 119.9° |
| C18 | C27 | C20 | 121.6° | 120.3° |
| C26 | C19 | H19 | 119.0° | 119.9° |
| C27 | C20 | H20 | 120.4° | 119.9° |
| N22 | C21 | C23 | 106.6° | 104.8° |
| N22 | C21 | H211 | 110.4° | 110.4° |
| N22 | C21 | H212 | 111.1° | 110.4° |
| C21 | N22 | C25 | 111.4° | 108.5° |
| C21 | N22 | HN22 | 108.8° | 111.0° |
| C23 | C21 | H211 | 110.5° | 110.3° |
| C23 | C21 | H212 | 111.1° | 110.4° |
| C21 | C23 | C24 | 105.8° | 101.6° |
| C21 | C23 | N28 | 112.2° | 111.0° |
| C21 | C23 | H23 | 108.4° | 111.0° |
| H211 | C21 | H212 | 107.3° | 110.5° |
| C25 | N22 | HN22 | 108.8° | 111.0° |
| N22 | C25 | C24 | 107.7° | 107.3° |
| N22 | C25 | H251 | 110.0° | 109.8° |
| N22 | C25 | H252 | 110.5° | 109.9° |
| C24 | C23 | N28 | 103.7° | 111.0° |
| C24 | C23 | H23 | 116.3° | 111.0° |
| C23 | C24 | N32 | 110.8° | 110.7° |
| C23 | C24 | C25 | 105.1° | 103.0° |
| C23 | C24 | H24 | 110.8° | 110.7° |
| N28 | C23 | H23 | 110.3° | 110.9° |
| N32 | C24 | C25 | 107.4° | 110.7° |
| N32 | C24 | H24 | 108.7° | 110.7° |
| C24 | N32 | C33 | 127.0° | 120.0° |
| C25 | C24 | H24 | 114.0° | 110.8° |
| C24 | C25 | H251 | 110.1° | 109.9° |
| C24 | C25 | H252 | 110.5° | 109.9° |
| H251 | C25 | H252 | 108.1° | 110.0° |
| C31 | C29 | H29 | 116.7° | 120.0° |
| C29 | C31 | C30 | 119.8° | 120.0° |
| C29 | C31 | H31 | 120.1° | 120.0° |
| C31 | C30 | H30 | 123.0° | 120.0° |
| C30 | C31 | H31 | 120.1° | 120.0° |
| N32 | C33 | C34 | 116.4° | 109.5° |
| N32 | C33 | H331 | 107.2° | 109.5° |
| N32 | C33 | H332 | 105.6° | 109.5° |
| C34 | C33 | H331 | 107.2° | 109.4° |
| C34 | C33 | H332 | 105.6° | 109.5° |
| C33 | C34 | C38 | 116.5° | 120.0° |
| C33 | C34 | C35 | 120.7° | 120.0° |
| H331 | C33 | H332 | 115.0° | 109.5° |
| C38 | C34 | C35 | 122.8° | 120.0° |
| C34 | C38 | C39 | 120.6° | 120.0° |
| C34 | C38 | H38 | 119.7° | 120.0° |
| C34 | C35 | C36 | 116.2° | 120.0° |
| C34 | C35 | H35 | 121.9° | 120.0° |
| C36 | C35 | H35 | 121.9° | 120.0° |
| C35 | C36 | C37 | 121.8° | 120.0° |
| C35 | C36 | H36 | 119.1° | 120.0° |
| C37 | C36 | H36 | 119.1° | 120.0° |
| C36 | C37 | C39 | 121.6° | 120.0° |
| C36 | C37 | H37 | 119.2° | 120.1° |
| C39 | C37 | H37 | 119.2° | 119.9° |
| C37 | C39 | C38 | 116.8° | 119.9° |
| C37 | C39 | H39 | 121.6° | 120.0° |
| C39 | C38 | H38 | 119.7° | 120.0° |
| C38 | C39 | H39 | 121.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C17 | H1 | 180.0° | 179.8° |
| C1 | C4 | C9 | N2 | 172.8° | 179.9° |
| C1 | C4 | C9 | O1 | 6.7° | 0.0° |
| C1 | C4 | C3 | C19 | 4.8° | 0.0° |
| C1 | C4 | C3 | C9 | 176.7° | 180.0° |
| C1 | C4 | C3 | H3 | 175.2° | 180.0° |
| C4 | C1 | C17 | C26 | 3.9° | 0.1° |
| C4 | C1 | C17 | H17 | 176.1° | 180.0° |
| C17 | C1 | C4 | C3 | 3.7° | 0.1° |
| C17 | C1 | C4 | C9 | 179.5° | 179.9° |
| C1 | C17 | C26 | S8 | 177.8° | 179.9° |
| C1 | C17 | C26 | H17 | 180.0° | 179.9° |
| C1 | C17 | C26 | C19 | 5.1° | 0.1° |
| H1 | C1 | C4 | C3 | 176.3° | 179.7° |
| H1 | C1 | C4 | C9 | 0.5° | 0.3° |
| H1 | C1 | C17 | C26 | 176.2° | 179.7° |
| H1 | C1 | C17 | H17 | 3.8° | 0.2° |
| O2 | C8 | C6 | C2 | 29.5° | 0.0° |
| O2 | C8 | N1 | C6 | 178.7° | 179.9° |
| O2 | C8 | N1 | HN11 | 180.0° | 0.1° |
| O2 | C8 | N1 | HN12 | 0.0° | 180.0° |
| O2 | C8 | C6 | C5 | 146.1° | 180.0° |
| C9 | N2 | HN21 | HN2A | 180.0° | 180.0° |
| N2 | C9 | O1 | C4 | 179.4° | 180.0° |
| N2 | C9 | C4 | C3 | 4.0° | 0.1° |
| HN21 | N2 | C9 | O1 | 0.0° | 0.0° |
| HN21 | N2 | C9 | C4 | 179.4° | 180.0° |
| HN2A | N2 | C9 | O1 | 180.0° | 180.0° |
| HN2A | N2 | C9 | C4 | 0.6° | 0.1° |
| C18 | C2 | C6 | H2 | 180.0° | 179.7° |
| C18 | C2 | C6 | C5 | 4.6° | 0.0° |
| C18 | C2 | C6 | C8 | 180.0° | 180.0° |
| C2 | C18 | C27 | S9 | 177.3° | 180.0° |
| C2 | C18 | C27 | H18 | 180.0° | 180.0° |
| C2 | C18 | C27 | C20 | 4.8° | 0.0° |
| C2 | C6 | C8 | N1 | 151.8° | 180.0° |
| C2 | C6 | C5 | C8 | 175.3° | 180.0° |
| C2 | C6 | C5 | C20 | 2.8° | 0.0° |
| C2 | C6 | C5 | H5 | 177.2° | 180.0° |
| C6 | C2 | C18 | C27 | 5.5° | 0.0° |
| C6 | C2 | C18 | H18 | 174.5° | 180.0° |
| H2 | C2 | C6 | C5 | 175.4° | 179.7° |
| H2 | C2 | C6 | C8 | 0.0° | 0.3° |
| H2 | C2 | C18 | C27 | 174.6° | 179.7° |
| H2 | C2 | C18 | H18 | 5.4° | 0.3° |
| O1 | C9 | C4 | C3 | 176.6° | 180.0° |
| C8 | N1 | HN11 | HN12 | 180.0° | 179.9° |
| N1 | C8 | C6 | C5 | 32.7° | 0.1° |
| HN11 | N1 | C8 | C6 | 1.4° | 180.0° |
| HN12 | N1 | C8 | C6 | 178.7° | 0.1° |
| C19 | C3 | C4 | H3 | 180.0° | 180.0° |
| C19 | C3 | C4 | C9 | 178.5° | 180.0° |
| C3 | C19 | C26 | S8 | 176.3° | 180.0° |
| C3 | C19 | C26 | C17 | 6.4° | 0.0° |
| C3 | C19 | C26 | H19 | 180.0° | 180.0° |
| C4 | C3 | C19 | C26 | 6.2° | 0.0° |
| C4 | C3 | C19 | H19 | 173.8° | 180.0° |
| H3 | C3 | C4 | C9 | 1.5° | 0.0° |
| H3 | C3 | C19 | C26 | 173.8° | 180.0° |
| H3 | C3 | C19 | H19 | 6.2° | 0.0° |
| C6 | C5 | C20 | H5 | 180.0° | 180.0° |
| C6 | C5 | C20 | C27 | 1.9° | 0.0° |
| C6 | C5 | C20 | H20 | 178.1° | 180.0° |
| C20 | C5 | C6 | C8 | 178.1° | 180.0° |
| C5 | C20 | C27 | S9 | 179.0° | 179.9° |
| C5 | C20 | C27 | C18 | 3.0° | 0.0° |
| C5 | C20 | C27 | H20 | 180.0° | 179.9° |
| H5 | C5 | C6 | C8 | 1.9° | 0.0° |
| H5 | C5 | C20 | C27 | 178.1° | 180.0° |
| H5 | C5 | C20 | H20 | 1.9° | 0.0° |
| N28 | C7 | C12 | H71 | 120.0° | 120.0° |
| N28 | C7 | C12 | H72 | 119.6° | 120.0° |
| N28 | C7 | H71 | H72 | 119.6° | 120.0° |
| C7 | N28 | S8 | C23 | 177.6° | 180.0° |
| C7 | N28 | S8 | O10 | 130.9° | 24.5° |
| C7 | N28 | S8 | C26 | 108.8° | 89.0° |
| C7 | N28 | S8 | O41 | 7.1° | 157.5° |
| N28 | C7 | C12 | C14 | 121.7° | 95.7° |
| N28 | C7 | C12 | C13 | 56.2° | 84.0° |
| C7 | N28 | C23 | C21 | 41.4° | 19.4° |
| C7 | N28 | C23 | C24 | 72.3° | 92.9° |
| C7 | N28 | C23 | H23 | 162.4° | 143.2° |
| C12 | C7 | H71 | H72 | 119.6° | 120.0° |
| C12 | C7 | N28 | S8 | 95.6° | 95.9° |
| C7 | C12 | C14 | C13 | 177.8° | 179.7° |
| C7 | C12 | C13 | C29 | 178.4° | 180.0° |
| C7 | C12 | C13 | H13 | 1.6° | 0.1° |
| C7 | C12 | C14 | C30 | 178.1° | 180.0° |
| C7 | C12 | C14 | H14 | 1.9° | 0.0° |
| C12 | C7 | N28 | C23 | 81.5° | 84.1° |
| H71 | C7 | N28 | S8 | 144.4° | 24.1° |
| H71 | C7 | C12 | C14 | 1.7° | 144.3° |
| H71 | C7 | C12 | C13 | 176.2° | 36.0° |
| H71 | C7 | N28 | C23 | 38.5° | 155.9° |
| H72 | C7 | N28 | S8 | 24.0° | 144.1° |
| H72 | C7 | C12 | C14 | 118.7° | 24.3° |
| H72 | C7 | C12 | C13 | 63.4° | 156.0° |
| H72 | C7 | N28 | C23 | 158.9° | 35.9° |
| N28 | S8 | O10 | C26 | 118.6° | 114.1° |
| N28 | S8 | O10 | O41 | 115.0° | 123.0° |
| N28 | S8 | C26 | O41 | 112.5° | 113.6° |
| N28 | S8 | C26 | C17 | 62.3° | 85.1° |
| N28 | S8 | C26 | C19 | 114.8° | 94.9° |
| S8 | N28 | C23 | C21 | 141.5° | 160.6° |
| S8 | N28 | C23 | C24 | 104.7° | 87.1° |
| S8 | N28 | C23 | H23 | 20.5° | 36.8° |
| O10 | S8 | C26 | O41 | 130.8° | 132.9° |
| O10 | S8 | C26 | C17 | 179.0° | 161.4° |
| O10 | S8 | C26 | C19 | 1.9° | 18.6° |
| O10 | S8 | N28 | C23 | 46.7° | 155.5° |
| S8 | C26 | C17 | C19 | 177.1° | 180.0° |
| S8 | C26 | C17 | H17 | 2.2° | 0.0° |
| S8 | C26 | C19 | H19 | 3.6° | 0.0° |
| C26 | S8 | N28 | C23 | 73.7° | 91.0° |
| O41 | S8 | C26 | C17 | 50.2° | 28.5° |
| O41 | S8 | C26 | C19 | 132.7° | 151.5° |
| O41 | S8 | N28 | C23 | 170.5° | 22.5° |
| O40 | S9 | C27 | N32 | 109.8° | 113.5° |
| O40 | S9 | C27 | O11 | 135.3° | 132.9° |
| O40 | S9 | N32 | O11 | 139.3° | 132.9° |
| O40 | S9 | C27 | C18 | 29.8° | 30.6° |
| O40 | S9 | C27 | C20 | 148.1° | 149.5° |
| O40 | S9 | N32 | C24 | 165.3° | 148.3° |
| O40 | S9 | N32 | C33 | 19.7° | 31.6° |
| C27 | S9 | N32 | O11 | 111.1° | 113.6° |
| S9 | C27 | C18 | C20 | 177.9° | 180.0° |
| S9 | C27 | C18 | H18 | 2.7° | 0.1° |
| S9 | C27 | C20 | H20 | 1.0° | 0.0° |
| C27 | S9 | N32 | C24 | 85.1° | 98.2° |
| C27 | S9 | N32 | C33 | 90.0° | 81.9° |
| N32 | S9 | C27 | C18 | 80.0° | 83.0° |
| N32 | S9 | C27 | C20 | 102.0° | 97.0° |
| S9 | N32 | C24 | C23 | 130.6° | 64.0° |
| S9 | N32 | C24 | C33 | 174.5° | 179.9° |
| S9 | N32 | C24 | C25 | 115.2° | 49.6° |
| S9 | N32 | C24 | H24 | 8.6° | 172.9° |
| S9 | N32 | C33 | C34 | 101.7° | 109.6° |
| S9 | N32 | C33 | H331 | 138.3° | 130.4° |
| S9 | N32 | C33 | H332 | 15.1° | 10.4° |
| O11 | S9 | C27 | C18 | 165.2° | 163.4° |
| O11 | S9 | C27 | C20 | 12.8° | 16.6° |
| O11 | S9 | N32 | C24 | 26.0° | 15.4° |
| O11 | S9 | N32 | C33 | 158.9° | 164.5° |
| C14 | C12 | C13 | C29 | 0.5° | 0.3° |
| C14 | C12 | C13 | H13 | 179.5° | 179.8° |
| C12 | C14 | C30 | H14 | 180.0° | 179.9° |
| C12 | C14 | C30 | C31 | 2.9° | 0.1° |
| C12 | C14 | C30 | H30 | 177.0° | 180.0° |
| C12 | C13 | C29 | H13 | 180.0° | 179.9° |
| C13 | C12 | C14 | C30 | 4.1° | 0.3° |
| C13 | C12 | C14 | H14 | 175.9° | 179.7° |
| C12 | C13 | C29 | C31 | 4.1° | 0.1° |
| C12 | C13 | C29 | H29 | 175.9° | 179.9° |
| C13 | C29 | C31 | H29 | 180.0° | 180.0° |
| C13 | C29 | C31 | C30 | 5.3° | 0.2° |
| C13 | C29 | C31 | H31 | 174.7° | 180.0° |
| H13 | C13 | C29 | C31 | 175.9° | 180.0° |
| H13 | C13 | C29 | H29 | 4.1° | 0.0° |
| C14 | C30 | C31 | C29 | 1.5° | 0.2° |
| C14 | C30 | C31 | H30 | 180.0° | 179.9° |
| C14 | C30 | C31 | H31 | 178.5° | 180.0° |
| H14 | C14 | C30 | C31 | 177.1° | 180.0° |
| H14 | C14 | C30 | H30 | 2.9° | 0.1° |
| C17 | C26 | C19 | H19 | 173.6° | 180.0° |
| H17 | C17 | C26 | C19 | 174.9° | 180.0° |
| C18 | C27 | C20 | H20 | 177.0° | 180.0° |
| H18 | C18 | C27 | C20 | 175.2° | 180.0° |
| N22 | C21 | C23 | H211 | 120.0° | 118.8° |
| N22 | C21 | C23 | H212 | 121.1° | 118.9° |
| N22 | C21 | H211 | H212 | 121.2° | 122.4° |
| C21 | N22 | C25 | HN22 | 120.0° | 122.2° |
| N22 | C21 | C23 | C24 | 18.4° | 37.1° |
| N22 | C21 | C23 | N28 | 94.1° | 155.2° |
| N22 | C21 | C23 | H23 | 143.8° | 81.0° |
| C21 | N22 | C25 | C24 | 9.6° | 1.0° |
| C21 | N22 | C25 | H251 | 110.4° | 120.5° |
| C21 | N22 | C25 | H252 | 130.3° | 118.5° |
| C23 | C21 | H211 | H212 | 121.2° | 122.3° |
| C23 | C21 | N22 | C25 | 17.9° | 24.1° |
| C23 | C21 | N22 | HN22 | 137.9° | 146.4° |
| C21 | C23 | C24 | N28 | 118.3° | 118.1° |
| C21 | C23 | C24 | H23 | 120.4° | 118.1° |
| C21 | C23 | N28 | H23 | 121.0° | 123.8° |
| C21 | C23 | C24 | N32 | 103.0° | 154.0° |
| C21 | C23 | C24 | C25 | 12.7° | 35.6° |
| C21 | C23 | C24 | H24 | 136.3° | 82.9° |
| H211 | C21 | N22 | C25 | 137.9° | 94.7° |
| H211 | C21 | N22 | HN22 | 102.1° | 27.6° |
| H211 | C21 | C23 | C24 | 138.4° | 81.7° |
| H211 | C21 | C23 | N28 | 25.9° | 36.4° |
| H211 | C21 | C23 | H23 | 96.2° | 160.2° |
| H212 | C21 | N22 | C25 | 103.2° | 142.9° |
| H212 | C21 | N22 | HN22 | 16.8° | 94.8° |
| H212 | C21 | C23 | C24 | 102.7° | 155.9° |
| H212 | C21 | C23 | N28 | 144.8° | 86.0° |
| H212 | C21 | C23 | H23 | 22.7° | 37.8° |
| N22 | C25 | C24 | C23 | 2.3° | 22.3° |
| N22 | C25 | C24 | N32 | 115.7° | 140.7° |
| N22 | C25 | C24 | H251 | 120.0° | 119.4° |
| N22 | C25 | C24 | H252 | 120.7° | 119.4° |
| N22 | C25 | C24 | H24 | 123.8° | 96.2° |
| N22 | C25 | H251 | H252 | 120.7° | 121.0° |
| HN22 | N22 | C25 | C24 | 129.6° | 123.2° |
| HN22 | N22 | C25 | H251 | 9.6° | 117.3° |
| HN22 | N22 | C25 | H252 | 109.7° | 3.8° |
| C24 | C23 | N28 | H23 | 125.2° | 123.9° |
| C23 | C24 | N32 | C25 | 114.3° | 113.6° |
| C23 | C24 | N32 | H24 | 122.0° | 123.2° |
| C23 | C24 | C25 | H24 | 121.5° | 118.5° |
| C23 | C24 | C25 | H251 | 122.3° | 97.1° |
| C23 | C24 | C25 | H252 | 118.4° | 141.7° |
| C23 | C24 | N32 | C33 | 54.9° | 116.0° |
| N28 | C23 | C24 | N32 | 138.7° | 87.9° |
| N28 | C23 | C24 | C25 | 105.6° | 153.7° |
| N28 | C23 | C24 | H24 | 18.0° | 35.2° |
| H23 | C23 | C24 | N32 | 17.4° | 35.9° |
| H23 | C23 | C24 | C25 | 133.1° | 82.4° |
| H23 | C23 | C24 | H24 | 103.3° | 159.1° |
| N32 | C24 | C25 | H24 | 120.5° | 123.2° |
| N32 | C24 | C25 | H251 | 4.2° | 21.3° |
| N32 | C24 | C25 | H252 | 123.6° | 99.9° |
| C24 | N32 | C33 | C34 | 83.9° | 70.5° |
| C24 | N32 | C33 | H331 | 36.2° | 49.6° |
| C24 | N32 | C33 | H332 | 159.3° | 169.6° |
| C24 | C25 | H251 | H252 | 120.8° | 121.2° |
| C25 | C24 | N32 | C33 | 59.3° | 130.5° |
| H24 | C24 | C25 | H251 | 116.2° | 144.4° |
| H24 | C24 | C25 | H252 | 3.1° | 23.2° |
| H24 | C24 | N32 | C33 | 176.9° | 7.2° |
| C29 | C31 | C30 | H31 | 180.0° | 179.7° |
| C29 | C31 | C30 | H30 | 178.5° | 179.7° |
| H29 | C29 | C31 | C30 | 174.7° | 179.8° |
| H29 | C29 | C31 | H31 | 5.3° | 0.0° |
| H30 | C30 | C31 | H31 | 1.5° | 0.0° |
| N32 | C33 | C34 | H331 | 120.0° | 120.1° |
| N32 | C33 | C34 | H332 | 116.8° | 120.0° |
| N32 | C33 | H331 | H332 | 117.2° | 120.0° |
| N32 | C33 | C34 | C38 | 147.1° | 83.0° |
| N32 | C33 | C34 | C35 | 31.2° | 96.6° |
| C34 | C33 | H331 | H332 | 117.1° | 119.9° |
| C33 | C34 | C38 | C35 | 178.2° | 179.7° |
| C33 | C34 | C35 | C36 | 179.8° | 180.0° |
| C33 | C34 | C35 | H35 | 0.2° | 0.1° |
| C33 | C34 | C38 | C39 | 176.1° | 179.8° |
| C33 | C34 | C38 | H38 | 3.9° | 0.1° |
| H331 | C33 | C34 | C38 | 27.1° | 37.0° |
| H331 | C33 | C34 | C35 | 151.2° | 143.3° |
| H332 | C33 | C34 | C38 | 96.1° | 157.0° |
| H332 | C33 | C34 | C35 | 85.7° | 23.3° |
| C38 | C34 | C35 | C36 | 1.7° | 0.3° |
| C38 | C34 | C35 | H35 | 178.3° | 179.7° |
| C34 | C38 | C39 | C37 | 5.2° | 0.4° |
| C34 | C38 | C39 | H38 | 180.0° | 179.8° |
| C34 | C38 | C39 | H39 | 174.8° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 2.4° | 0.0° |
| C34 | C35 | C36 | H36 | 177.6° | 179.9° |
| C35 | C34 | C38 | C39 | 5.6° | 0.5° |
| C35 | C34 | C38 | H38 | 174.4° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C39 | 2.6° | 0.0° |
| C35 | C36 | C37 | H37 | 177.4° | 180.0° |
| H35 | C35 | C36 | C37 | 177.6° | 180.0° |
| H35 | C35 | C36 | H36 | 2.4° | 0.0° |
| C36 | C37 | C39 | H37 | 180.0° | 180.0° |
| C36 | C37 | C39 | C38 | 1.3° | 0.2° |
| C36 | C37 | C39 | H39 | 178.8° | 180.0° |
| H36 | C36 | C37 | C39 | 177.4° | 180.0° |
| H36 | C36 | C37 | H37 | 2.6° | 0.0° |
| C37 | C39 | C38 | H39 | 180.0° | 179.8° |
| C37 | C39 | C38 | H38 | 174.8° | 179.8° |
| H37 | C37 | C39 | C38 | 178.7° | 179.8° |
| H37 | C37 | C39 | H39 | 1.3° | 0.0° |
| H38 | C38 | C39 | H39 | 5.2° | 0.0° |
