G3G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | N43 | sing | 1.40Å | 1.35Å | |
| C5 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | S9 | sing | 1.76Å | 1.79Å | |
| C27 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| S9 | O11 | doub | 1.42Å | 1.45Å | |
| S9 | N32 | sing | 1.66Å | 1.74Å | |
| S9 | O40 | doub | 1.42Å | 1.45Å | |
| N32 | C24 | sing | 1.46Å | 1.51Å | |
| N32 | C33 | sing | 1.47Å | 1.49Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C38 | doub | 1.38Å | 1.43Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | C37 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C37 | C36 | sing | 1.38Å | 1.43Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.54Å | 1.59Å | |
| C24 | C25 | sing | 1.54Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | N22 | sing | 1.49Å | 1.49Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N22 | C21 | sing | 1.48Å | 1.48Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å | |
| C21 | C23 | sing | 1.54Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | N28 | sing | 1.46Å | 1.50Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N28 | S8 | sing | 1.66Å | 1.69Å | |
| N28 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C12 | sing | 1.51Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| S8 | O41 | doub | 1.42Å | 1.48Å | |
| S8 | C26 | sing | 1.76Å | 1.76Å | |
| S8 | O10 | doub | 1.42Å | 1.48Å | |
| C26 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C19 | doub | 1.38Å | 1.44Å | Aromatic |
| C17 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | N42 | sing | 1.40Å | 1.35Å | |
| C4 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N42 | H421 | sing | 0.97Å | 1.00Å | |
| N42 | H422 | sing | 0.97Å | 1.00Å | |
| N43 | H431 | sing | 0.97Å | 1.00Å | |
| N43 | H432 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C2 | C18 | 120.6° | 119.9° |
| C6 | C2 | H2 | 119.7° | 120.0° |
| C2 | C6 | C5 | 119.1° | 119.9° |
| C2 | C6 | N43 | 120.5° | 120.1° |
| C18 | C2 | H2 | 119.7° | 120.1° |
| C2 | C18 | C27 | 120.6° | 120.0° |
| C2 | C18 | H18 | 119.7° | 120.0° |
| C5 | C6 | N43 | 120.2° | 120.1° |
| C6 | C5 | C20 | 120.1° | 119.9° |
| C6 | C5 | H5 | 119.9° | 120.1° |
| C6 | N43 | H431 | 109.5° | 120.0° |
| C6 | N43 | H432 | 109.5° | 120.0° |
| C20 | C5 | H5 | 119.9° | 120.0° |
| C5 | C20 | C27 | 120.9° | 120.1° |
| C5 | C20 | H20 | 119.5° | 120.0° |
| C27 | C20 | H20 | 119.5° | 119.9° |
| C20 | C27 | S9 | 118.5° | 119.9° |
| C20 | C27 | C18 | 118.4° | 120.2° |
| S9 | C27 | C18 | 123.1° | 119.9° |
| C27 | S9 | O11 | 106.7° | 106.4° |
| C27 | S9 | N32 | 96.1° | 107.2° |
| C27 | S9 | O40 | 104.1° | 106.4° |
| C27 | C18 | H18 | 119.7° | 120.0° |
| O11 | S9 | N32 | 111.0° | 106.4° |
| O11 | S9 | O40 | 126.9° | 123.2° |
| N32 | S9 | O40 | 107.4° | 106.4° |
| S9 | N32 | C24 | 116.5° | 120.0° |
| S9 | N32 | C33 | 117.2° | 120.0° |
| C24 | N32 | C33 | 126.2° | 120.0° |
| N32 | C24 | C23 | 112.9° | 110.3° |
| N32 | C24 | C25 | 114.5° | 110.4° |
| N32 | C24 | H24 | 101.9° | 110.3° |
| N32 | C33 | C34 | 118.1° | 109.5° |
| N32 | C33 | H331 | 106.7° | 109.5° |
| N32 | C33 | H332 | 104.7° | 109.4° |
| C34 | C33 | H331 | 106.7° | 109.5° |
| C34 | C33 | H332 | 104.7° | 109.5° |
| C33 | C34 | C35 | 120.5° | 120.0° |
| C33 | C34 | C38 | 119.0° | 120.0° |
| H331 | C33 | H332 | 116.5° | 109.4° |
| C35 | C34 | C38 | 120.4° | 120.0° |
| C34 | C35 | C36 | 118.3° | 120.0° |
| C34 | C35 | H35 | 120.9° | 120.0° |
| C34 | C38 | C39 | 121.4° | 120.0° |
| C34 | C38 | H38 | 119.3° | 120.0° |
| C39 | C38 | H38 | 119.3° | 120.1° |
| C38 | C39 | C37 | 118.0° | 120.0° |
| C38 | C39 | H39 | 121.0° | 120.0° |
| C37 | C39 | H39 | 121.0° | 120.0° |
| C39 | C37 | C36 | 120.3° | 120.0° |
| C39 | C37 | H37 | 119.8° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C37 | C36 | C35 | 121.3° | 120.0° |
| C37 | C36 | H36 | 119.3° | 119.9° |
| C35 | C36 | H36 | 119.3° | 120.1° |
| C36 | C35 | H35 | 120.8° | 120.0° |
| C23 | C24 | C25 | 104.2° | 105.1° |
| C23 | C24 | H24 | 112.6° | 110.3° |
| C24 | C23 | C21 | 104.8° | 105.0° |
| C24 | C23 | N28 | 108.6° | 110.4° |
| C24 | C23 | H23 | 113.4° | 110.3° |
| C25 | C24 | H24 | 111.0° | 110.4° |
| C24 | C25 | N22 | 108.9° | 104.6° |
| C24 | C25 | H251 | 109.6° | 110.4° |
| C24 | C25 | H252 | 109.7° | 110.4° |
| N22 | C25 | H251 | 109.6° | 110.4° |
| N22 | C25 | H252 | 109.8° | 110.4° |
| C25 | N22 | C21 | 109.3° | 104.2° |
| C25 | N22 | HN22 | 109.5° | 110.9° |
| H251 | C25 | H252 | 109.1° | 110.5° |
| C21 | N22 | HN22 | 109.5° | 111.1° |
| N22 | C21 | C23 | 107.5° | 104.6° |
| N22 | C21 | H211 | 110.1° | 110.4° |
| N22 | C21 | H212 | 110.6° | 110.4° |
| C23 | C21 | H211 | 110.1° | 110.4° |
| C23 | C21 | H212 | 110.5° | 110.4° |
| C21 | C23 | N28 | 110.7° | 110.3° |
| C21 | C23 | H23 | 111.4° | 110.3° |
| H211 | C21 | H212 | 108.0° | 110.4° |
| N28 | C23 | H23 | 107.9° | 110.4° |
| C23 | N28 | S8 | 117.6° | 120.0° |
| C23 | N28 | C7 | 125.5° | 120.0° |
| S8 | N28 | C7 | 116.8° | 120.0° |
| N28 | S8 | O41 | 105.6° | 106.4° |
| N28 | S8 | C26 | 111.4° | 107.2° |
| N28 | S8 | O10 | 107.8° | 106.4° |
| N28 | C7 | C12 | 111.0° | 109.5° |
| N28 | C7 | H71 | 109.0° | 109.5° |
| N28 | C7 | H72 | 108.6° | 109.4° |
| C12 | C7 | H71 | 109.0° | 109.5° |
| C12 | C7 | H72 | 108.6° | 109.5° |
| C7 | C12 | C13 | 120.5° | 120.0° |
| C7 | C12 | C14 | 120.0° | 120.0° |
| H71 | C7 | H72 | 110.6° | 109.5° |
| C13 | C12 | C14 | 119.5° | 120.0° |
| C12 | C13 | C29 | 119.2° | 120.0° |
| C12 | C13 | H13 | 120.4° | 120.0° |
| C12 | C14 | C30 | 121.5° | 120.0° |
| C12 | C14 | H14 | 119.3° | 120.0° |
| C30 | C14 | H14 | 119.2° | 120.0° |
| C14 | C30 | C31 | 118.6° | 120.0° |
| C14 | C30 | H30 | 120.7° | 120.0° |
| C31 | C30 | H30 | 120.7° | 120.0° |
| C30 | C31 | C29 | 120.3° | 120.0° |
| C30 | C31 | H31 | 119.9° | 120.0° |
| C29 | C31 | H31 | 119.9° | 120.0° |
| C31 | C29 | C13 | 120.8° | 120.0° |
| C31 | C29 | H29 | 119.6° | 120.0° |
| C13 | C29 | H29 | 119.6° | 120.0° |
| C29 | C13 | H13 | 120.4° | 120.0° |
| O41 | S8 | C26 | 108.0° | 106.4° |
| O41 | S8 | O10 | 116.1° | 123.2° |
| C26 | S8 | O10 | 108.0° | 106.4° |
| S8 | C26 | C17 | 125.4° | 119.9° |
| S8 | C26 | C19 | 117.0° | 119.9° |
| C17 | C26 | C19 | 117.7° | 120.2° |
| C26 | C17 | C1 | 121.5° | 120.1° |
| C26 | C17 | H17 | 119.2° | 119.9° |
| C26 | C19 | C3 | 122.0° | 120.0° |
| C26 | C19 | H19 | 119.0° | 119.9° |
| C1 | C17 | H17 | 119.3° | 120.0° |
| C17 | C1 | C4 | 120.1° | 119.9° |
| C17 | C1 | H1 | 120.0° | 120.1° |
| C4 | C1 | H1 | 119.9° | 120.0° |
| C1 | C4 | N42 | 122.3° | 120.1° |
| C1 | C4 | C3 | 119.2° | 119.9° |
| N42 | C4 | C3 | 118.5° | 120.0° |
| C4 | N42 | H421 | 109.5° | 120.0° |
| C4 | N42 | H422 | 109.5° | 120.0° |
| C4 | C3 | C19 | 119.5° | 119.9° |
| C4 | C3 | H3 | 120.2° | 120.1° |
| C19 | C3 | H3 | 120.3° | 120.0° |
| C3 | C19 | H19 | 119.0° | 120.0° |
| H421 | N42 | H422 | 109.5° | 120.1° |
| H431 | N43 | H432 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C2 | C18 | H2 | 180.0° | 179.6° |
| C2 | C6 | C5 | N43 | 175.7° | 179.9° |
| C2 | C6 | C5 | C20 | 5.3° | 0.1° |
| C2 | C6 | C5 | H5 | 174.6° | 179.9° |
| C6 | C2 | C18 | C27 | 1.1° | 0.1° |
| C6 | C2 | C18 | H18 | 178.9° | 180.0° |
| C2 | C6 | N43 | H431 | 174.1° | 0.1° |
| C2 | C6 | N43 | H432 | 65.9° | 179.9° |
| C18 | C2 | C6 | C5 | 2.2° | 0.1° |
| C18 | C2 | C6 | N43 | 177.9° | 180.0° |
| C2 | C18 | C27 | C20 | 1.2° | 0.1° |
| C2 | C18 | C27 | S9 | 178.7° | 179.9° |
| C2 | C18 | C27 | H18 | 180.0° | 179.9° |
| H2 | C2 | C6 | C5 | 177.8° | 179.7° |
| H2 | C2 | C6 | N43 | 2.1° | 0.4° |
| H2 | C2 | C18 | C27 | 178.9° | 179.7° |
| H2 | C2 | C18 | H18 | 1.1° | 0.4° |
| C6 | C5 | C20 | H5 | 180.0° | 180.0° |
| C6 | C5 | C20 | C27 | 5.3° | 0.0° |
| C6 | C5 | C20 | H20 | 174.7° | 180.0° |
| C5 | C6 | N43 | H431 | 10.2° | 180.0° |
| C5 | C6 | N43 | H432 | 109.8° | 0.1° |
| N43 | C6 | C5 | C20 | 178.9° | 179.9° |
| N43 | C6 | C5 | H5 | 1.1° | 0.0° |
| C6 | N43 | H431 | H432 | 120.0° | 180.0° |
| C5 | C20 | C27 | H20 | 180.0° | 180.0° |
| C5 | C20 | C27 | S9 | 178.1° | 180.0° |
| C5 | C20 | C27 | C18 | 2.0° | 0.0° |
| H5 | C5 | C20 | C27 | 174.7° | 180.0° |
| H5 | C5 | C20 | H20 | 5.3° | 0.0° |
| C20 | C27 | S9 | C18 | 179.9° | 180.0° |
| C20 | C27 | C18 | H18 | 178.8° | 180.0° |
| C20 | C27 | S9 | O11 | 13.1° | 28.5° |
| C20 | C27 | S9 | N32 | 101.0° | 85.0° |
| C20 | C27 | S9 | O40 | 149.3° | 161.4° |
| H20 | C20 | C27 | S9 | 1.9° | 0.0° |
| H20 | C20 | C27 | C18 | 178.0° | 180.0° |
| S9 | C27 | C18 | H18 | 1.3° | 0.0° |
| C27 | S9 | O11 | N32 | 103.5° | 114.1° |
| C27 | S9 | O11 | O40 | 122.9° | 123.0° |
| C27 | S9 | N32 | O40 | 106.9° | 113.5° |
| C27 | S9 | N32 | C24 | 87.7° | 89.4° |
| C27 | S9 | N32 | C33 | 90.2° | 90.6° |
| C18 | C27 | S9 | O11 | 167.0° | 151.5° |
| C18 | C27 | S9 | N32 | 78.9° | 95.0° |
| C18 | C27 | S9 | O40 | 30.8° | 18.6° |
| O11 | S9 | N32 | O40 | 142.6° | 133.0° |
| O11 | S9 | N32 | C24 | 22.9° | 24.1° |
| O11 | S9 | N32 | C33 | 159.3° | 155.9° |
| S9 | N32 | C24 | C33 | 177.6° | 180.0° |
| S9 | N32 | C33 | C34 | 101.2° | 93.3° |
| S9 | N32 | C33 | H331 | 138.8° | 146.7° |
| S9 | N32 | C33 | H332 | 14.7° | 26.7° |
| S9 | N32 | C24 | C23 | 128.5° | 114.2° |
| S9 | N32 | C24 | C25 | 112.5° | 130.2° |
| S9 | N32 | C24 | H24 | 7.4° | 7.9° |
| O40 | S9 | N32 | C24 | 165.5° | 157.1° |
| O40 | S9 | N32 | C33 | 16.7° | 22.9° |
| C24 | N32 | C33 | C34 | 81.1° | 86.7° |
| C24 | N32 | C33 | H331 | 38.8° | 33.3° |
| C24 | N32 | C33 | H332 | 162.9° | 153.3° |
| N32 | C24 | C23 | C25 | 124.8° | 118.9° |
| N32 | C24 | C23 | H24 | 114.8° | 122.0° |
| N32 | C24 | C25 | H24 | 114.7° | 122.2° |
| N32 | C24 | C25 | N22 | 113.0° | 95.1° |
| N32 | C24 | C25 | H251 | 127.0° | 146.2° |
| N32 | C24 | C25 | H252 | 7.3° | 23.7° |
| N32 | C24 | C23 | C21 | 104.5° | 118.9° |
| N32 | C24 | C23 | N28 | 137.1° | 122.2° |
| N32 | C24 | C23 | H23 | 17.3° | 0.1° |
| N32 | C33 | C34 | H331 | 120.0° | 120.1° |
| N32 | C33 | C34 | H332 | 115.9° | 120.0° |
| N32 | C33 | H331 | H332 | 116.5° | 119.9° |
| N32 | C33 | C34 | C35 | 36.1° | 96.2° |
| N32 | C33 | C34 | C38 | 142.4° | 83.4° |
| C33 | N32 | C24 | C23 | 53.9° | 65.8° |
| C33 | N32 | C24 | C25 | 65.1° | 49.9° |
| C33 | N32 | C24 | H24 | 175.0° | 172.1° |
| C34 | C33 | H331 | H332 | 116.5° | 120.0° |
| C33 | C34 | C35 | C38 | 178.4° | 179.6° |
| C33 | C34 | C38 | C39 | 177.4° | 180.0° |
| C33 | C34 | C38 | H38 | 2.6° | 0.1° |
| C33 | C34 | C35 | C36 | 179.1° | 179.8° |
| C33 | C34 | C35 | H35 | 0.9° | 0.1° |
| H331 | C33 | C34 | C35 | 156.1° | 23.9° |
| H331 | C33 | C34 | C38 | 22.4° | 156.5° |
| H332 | C33 | C34 | C35 | 79.9° | 143.8° |
| H332 | C33 | C34 | C38 | 101.7° | 36.6° |
| C35 | C34 | C38 | C39 | 4.1° | 0.4° |
| C35 | C34 | C38 | H38 | 175.8° | 179.7° |
| C34 | C35 | C36 | C37 | 2.7° | 0.5° |
| C34 | C35 | C36 | H35 | 180.0° | 179.7° |
| C34 | C35 | C36 | H36 | 177.3° | 179.7° |
| C34 | C38 | C39 | H38 | 180.0° | 179.9° |
| C34 | C38 | C39 | C37 | 4.0° | 0.1° |
| C34 | C38 | C39 | H39 | 176.0° | 179.9° |
| C38 | C34 | C35 | C36 | 0.7° | 0.6° |
| C38 | C34 | C35 | H35 | 179.3° | 179.7° |
| C38 | C39 | C37 | H39 | 180.0° | 180.0° |
| C38 | C39 | C37 | C36 | 0.6° | 0.0° |
| C38 | C39 | C37 | H37 | 179.4° | 180.0° |
| H38 | C38 | C39 | C37 | 175.9° | 180.0° |
| H38 | C38 | C39 | H39 | 4.1° | 0.0° |
| C39 | C37 | C36 | H37 | 180.0° | 179.9° |
| C39 | C37 | C36 | C35 | 2.8° | 0.3° |
| C39 | C37 | C36 | H36 | 177.2° | 179.9° |
| H39 | C39 | C37 | C36 | 179.4° | 180.0° |
| H39 | C39 | C37 | H37 | 0.6° | 0.0° |
| C37 | C36 | C35 | H36 | 180.0° | 179.8° |
| C37 | C36 | C35 | H35 | 177.3° | 179.7° |
| H37 | C37 | C36 | C35 | 177.2° | 179.8° |
| H37 | C37 | C36 | H36 | 2.7° | 0.0° |
| H36 | C36 | C35 | H35 | 2.7° | 0.1° |
| C23 | C24 | C25 | H24 | 121.5° | 118.9° |
| C23 | C24 | C25 | N22 | 10.8° | 23.9° |
| C23 | C24 | C25 | H251 | 109.2° | 94.9° |
| C23 | C24 | C25 | H252 | 131.0° | 142.6° |
| C24 | C23 | C21 | N22 | 23.1° | 23.8° |
| C24 | C23 | C21 | N28 | 116.9° | 118.9° |
| C24 | C23 | C21 | H23 | 123.1° | 118.8° |
| C24 | C23 | C21 | H211 | 143.1° | 95.0° |
| C24 | C23 | C21 | H212 | 97.7° | 142.6° |
| C24 | C23 | N28 | H23 | 123.3° | 122.2° |
| C24 | C23 | N28 | S8 | 106.0° | 54.4° |
| C24 | C23 | N28 | C7 | 72.3° | 125.6° |
| C24 | C25 | N22 | H251 | 120.0° | 118.8° |
| C24 | C25 | N22 | H252 | 120.2° | 118.8° |
| C24 | C25 | H251 | H252 | 120.2° | 122.4° |
| C24 | C25 | N22 | C21 | 3.5° | 39.5° |
| C24 | C25 | N22 | HN22 | 116.5° | 80.1° |
| C25 | C24 | C23 | C21 | 20.3° | 0.0° |
| C25 | C24 | C23 | N28 | 98.1° | 118.9° |
| C25 | C24 | C23 | H23 | 142.1° | 118.9° |
| H24 | C24 | C25 | N22 | 132.3° | 142.8° |
| H24 | C24 | C25 | H251 | 12.3° | 24.0° |
| H24 | C24 | C25 | H252 | 107.5° | 98.5° |
| H24 | C24 | C23 | C21 | 140.7° | 119.0° |
| H24 | C24 | C23 | N28 | 22.3° | 0.1° |
| H24 | C24 | C23 | H23 | 97.5° | 122.1° |
| N22 | C25 | H251 | H252 | 120.2° | 122.4° |
| C25 | N22 | C21 | HN22 | 120.0° | 119.5° |
| C25 | N22 | C21 | C23 | 16.9° | 39.5° |
| C25 | N22 | C21 | H211 | 136.9° | 79.3° |
| C25 | N22 | C21 | H212 | 103.9° | 158.3° |
| H251 | C25 | N22 | C21 | 123.5° | 79.3° |
| H251 | C25 | N22 | HN22 | 3.5° | 161.1° |
| H252 | C25 | N22 | C21 | 116.7° | 158.3° |
| H252 | C25 | N22 | HN22 | 123.3° | 38.7° |
| N22 | C21 | C23 | H211 | 120.0° | 118.8° |
| N22 | C21 | C23 | H212 | 120.8° | 118.8° |
| N22 | C21 | H211 | H212 | 120.8° | 122.4° |
| N22 | C21 | C23 | N28 | 93.8° | 142.8° |
| N22 | C21 | C23 | H23 | 146.2° | 95.0° |
| HN22 | N22 | C21 | C23 | 103.1° | 80.0° |
| HN22 | N22 | C21 | H211 | 16.9° | 161.2° |
| HN22 | N22 | C21 | H212 | 136.1° | 38.8° |
| C23 | C21 | H211 | H212 | 120.8° | 122.4° |
| C21 | C23 | N28 | H23 | 122.1° | 122.2° |
| C21 | C23 | N28 | S8 | 139.4° | 61.3° |
| C21 | C23 | N28 | C7 | 42.3° | 118.7° |
| H211 | C21 | C23 | N28 | 26.2° | 24.0° |
| H211 | C21 | C23 | H23 | 93.8° | 146.2° |
| H212 | C21 | C23 | N28 | 145.4° | 98.5° |
| H212 | C21 | C23 | H23 | 25.4° | 23.8° |
| C23 | N28 | S8 | C7 | 178.4° | 180.0° |
| C23 | N28 | C7 | C12 | 84.0° | 82.9° |
| C23 | N28 | C7 | H71 | 36.1° | 157.1° |
| C23 | N28 | C7 | H72 | 156.7° | 37.1° |
| C23 | N28 | S8 | O41 | 168.3° | 149.1° |
| C23 | N28 | S8 | C26 | 74.7° | 97.3° |
| C23 | N28 | S8 | O10 | 43.7° | 16.1° |
| H23 | C23 | N28 | S8 | 17.3° | 176.5° |
| H23 | C23 | N28 | C7 | 164.4° | 3.4° |
| S8 | N28 | C7 | C12 | 94.4° | 97.1° |
| S8 | N28 | C7 | H71 | 145.6° | 23.0° |
| S8 | N28 | C7 | H72 | 25.0° | 142.9° |
| N28 | S8 | O41 | C26 | 119.3° | 114.1° |
| N28 | S8 | O41 | O10 | 119.3° | 123.0° |
| N28 | S8 | C26 | O10 | 118.2° | 113.5° |
| N28 | S8 | C26 | C17 | 72.1° | 83.2° |
| N28 | S8 | C26 | C19 | 107.2° | 97.2° |
| N28 | C7 | C12 | H71 | 120.0° | 120.0° |
| N28 | C7 | C12 | H72 | 119.4° | 120.0° |
| N28 | C7 | H71 | H72 | 119.4° | 120.0° |
| N28 | C7 | C12 | C13 | 45.2° | 89.6° |
| N28 | C7 | C12 | C14 | 134.7° | 90.2° |
| C7 | N28 | S8 | O41 | 10.1° | 30.9° |
| C7 | N28 | S8 | C26 | 106.8° | 82.7° |
| C7 | N28 | S8 | O10 | 134.8° | 163.8° |
| C12 | C7 | H71 | H72 | 119.4° | 120.0° |
| C7 | C12 | C13 | C14 | 179.9° | 179.8° |
| C7 | C12 | C14 | C30 | 179.1° | 180.0° |
| C7 | C12 | C14 | H14 | 1.0° | 0.0° |
| C7 | C12 | C13 | C29 | 179.8° | 179.8° |
| C7 | C12 | C13 | H13 | 0.1° | 0.0° |
| H71 | C7 | C12 | C13 | 165.2° | 30.5° |
| H71 | C7 | C12 | C14 | 14.7° | 149.8° |
| H72 | C7 | C12 | C13 | 74.2° | 150.5° |
| H72 | C7 | C12 | C14 | 105.9° | 29.8° |
| C13 | C12 | C14 | C30 | 1.1° | 0.3° |
| C13 | C12 | C14 | H14 | 178.9° | 179.8° |
| C12 | C13 | C29 | C31 | 0.2° | 0.4° |
| C12 | C13 | C29 | H13 | 180.0° | 179.8° |
| C12 | C13 | C29 | H29 | 179.7° | 179.7° |
| C12 | C14 | C30 | H14 | 180.0° | 180.0° |
| C12 | C14 | C30 | C31 | 2.4° | 0.1° |
| C12 | C14 | C30 | H30 | 177.6° | 180.0° |
| C14 | C12 | C13 | C29 | 0.0° | 0.4° |
| C14 | C12 | C13 | H13 | 180.0° | 179.7° |
| C14 | C30 | C31 | H30 | 180.0° | 180.0° |
| C14 | C30 | C31 | C29 | 2.6° | 0.0° |
| C14 | C30 | C31 | H31 | 177.4° | 180.0° |
| H14 | C14 | C30 | C31 | 177.6° | 180.0° |
| H14 | C14 | C30 | H30 | 2.4° | 0.0° |
| C30 | C31 | C29 | H31 | 180.0° | 180.0° |
| C30 | C31 | C29 | C13 | 1.6° | 0.2° |
| C30 | C31 | C29 | H29 | 178.4° | 179.9° |
| H30 | C30 | C31 | C29 | 177.4° | 180.0° |
| H30 | C30 | C31 | H31 | 2.6° | 0.1° |
| C31 | C29 | C13 | H29 | 180.0° | 179.9° |
| C31 | C29 | C13 | H13 | 179.7° | 179.8° |
| H31 | C31 | C29 | C13 | 178.4° | 179.8° |
| H31 | C31 | C29 | H29 | 1.6° | 0.0° |
| H29 | C29 | C13 | H13 | 0.3° | 0.1° |
| O41 | S8 | C26 | O10 | 126.3° | 132.9° |
| O41 | S8 | C26 | C17 | 43.4° | 30.4° |
| O41 | S8 | C26 | C19 | 137.3° | 149.3° |
| S8 | C26 | C17 | C19 | 179.3° | 179.7° |
| S8 | C26 | C17 | C1 | 179.6° | 180.0° |
| S8 | C26 | C17 | H17 | 0.4° | 0.0° |
| S8 | C26 | C19 | C3 | 178.5° | 179.7° |
| S8 | C26 | C19 | H19 | 1.6° | 0.0° |
| O10 | S8 | C26 | C17 | 169.7° | 163.3° |
| O10 | S8 | C26 | C19 | 11.0° | 16.4° |
| C26 | C17 | C1 | H17 | 180.0° | 180.0° |
| C26 | C17 | C1 | C4 | 0.7° | 0.0° |
| C26 | C17 | C1 | H1 | 179.3° | 179.9° |
| C17 | C26 | C19 | C3 | 2.2° | 0.6° |
| C17 | C26 | C19 | H19 | 177.8° | 179.7° |
| C19 | C26 | C17 | C1 | 1.1° | 0.3° |
| C19 | C26 | C17 | H17 | 178.9° | 179.7° |
| C26 | C19 | C3 | C4 | 2.8° | 0.6° |
| C26 | C19 | C3 | H19 | 180.0° | 179.7° |
| C26 | C19 | C3 | H3 | 177.2° | 179.7° |
| C17 | C1 | C4 | H1 | 180.0° | 179.9° |
| C17 | C1 | C4 | N42 | 179.8° | 180.0° |
| C17 | C1 | C4 | C3 | 1.3° | 0.0° |
| H17 | C17 | C1 | C4 | 179.3° | 180.0° |
| H17 | C17 | C1 | H1 | 0.7° | 0.0° |
| C1 | C4 | N42 | C3 | 178.5° | 180.0° |
| C1 | C4 | C3 | C19 | 2.3° | 0.3° |
| C1 | C4 | C3 | H3 | 177.7° | 179.9° |
| C1 | C4 | N42 | H421 | 52.6° | 0.1° |
| C1 | C4 | N42 | H422 | 67.4° | 179.9° |
| H1 | C1 | C4 | N42 | 0.2° | 0.1° |
| H1 | C1 | C4 | C3 | 178.7° | 179.9° |
| N42 | C4 | C3 | C19 | 179.2° | 179.7° |
| N42 | C4 | C3 | H3 | 0.8° | 0.1° |
| C4 | N42 | H421 | H422 | 120.0° | 179.9° |
| C4 | C3 | C19 | H3 | 180.0° | 179.6° |
| C4 | C3 | C19 | H19 | 177.2° | 179.7° |
| C3 | C4 | N42 | H421 | 125.9° | 179.9° |
| C3 | C4 | N42 | H422 | 114.1° | 0.0° |
| H3 | C3 | C19 | H19 | 2.8° | 0.1° |
