YDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C8 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.52Å | |
| C6 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | O2 | doub | 1.22Å | 1.22Å | |
| C10 | C35 | sing | 1.51Å | 1.51Å | |
| C20 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | N32 | sing | 1.46Å | 1.47Å | |
| C24 | C25 | sing | 1.54Å | 1.55Å | |
| C24 | C23 | sing | 1.55Å | 1.55Å | |
| C27 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | S9 | sing | 1.76Å | 1.78Å | |
| C18 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| S9 | O40 | doub | 1.42Å | 1.45Å | |
| S9 | N32 | sing | 1.66Å | 1.73Å | |
| S9 | O11 | doub | 1.42Å | 1.45Å | |
| N32 | C33 | sing | 1.47Å | 1.46Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C34 | C35 | doub | 1.31Å | 1.35Å | |
| C35 | C11 | sing | 1.51Å | 1.51Å | |
| C25 | N22 | sing | 1.48Å | 1.47Å | |
| N22 | C26 | sing | 1.49Å | 1.47Å | |
| N2 | C9 | sing | 1.35Å | 1.36Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| O3 | C9 | doub | 1.22Å | 1.22Å | |
| C7 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.48Å | 1.52Å | |
| S10 | O12 | doub | 1.42Å | 1.45Å | |
| S10 | C28 | sing | 1.76Å | 1.78Å | |
| S10 | N36 | sing | 1.66Å | 1.73Å | |
| S10 | O41 | doub | 1.42Å | 1.45Å | |
| C12 | C39 | sing | 1.51Å | 1.51Å | |
| C13 | C39 | sing | 1.51Å | 1.51Å | |
| C19 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C26 | sing | 1.55Å | 1.55Å | |
| C23 | N36 | sing | 1.47Å | 1.47Å | |
| N36 | C37 | sing | 1.46Å | 1.46Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C38 | C39 | doub | 1.31Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 1.01Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C8 | C6 | 120.7° | 120.0° |
| N1 | C8 | O2 | 120.1° | 120.0° |
| C8 | N1 | HN1 | 108.0° | 120.0° |
| C8 | N1 | HN1A | 126.0° | 120.0° |
| C6 | C5 | C20 | 121.9° | 119.9° |
| C5 | C6 | C8 | 122.2° | 120.2° |
| C5 | C6 | C2 | 118.8° | 119.7° |
| C6 | C5 | H5 | 119.1° | 120.1° |
| C5 | C20 | C27 | 119.0° | 120.1° |
| C20 | C5 | H5 | 119.1° | 120.1° |
| C5 | C20 | H20 | 120.5° | 119.9° |
| C8 | C6 | C2 | 118.9° | 120.2° |
| C6 | C8 | O2 | 118.8° | 120.0° |
| C6 | C2 | C18 | 119.3° | 119.9° |
| C6 | C2 | H2 | 120.3° | 120.0° |
| C10 | C35 | C34 | 118.5° | 120.0° |
| C10 | C35 | C11 | 116.2° | 120.0° |
| C35 | C10 | H10 | 109.5° | 109.5° |
| C35 | C10 | H10A | 109.5° | 109.4° |
| C35 | C10 | H10B | 109.5° | 109.5° |
| C20 | C27 | C18 | 119.4° | 120.4° |
| C20 | C27 | S9 | 120.8° | 119.8° |
| C27 | C20 | H20 | 120.5° | 120.0° |
| N32 | C24 | C25 | 116.2° | 110.3° |
| N32 | C24 | C23 | 115.5° | 110.4° |
| C24 | N32 | S9 | 115.8° | 120.0° |
| C24 | N32 | C33 | 126.0° | 120.0° |
| N32 | C24 | H24 | 98.2° | 110.2° |
| C25 | C24 | C23 | 103.6° | 105.2° |
| C24 | C25 | N22 | 106.4° | 107.0° |
| C25 | C24 | H24 | 111.4° | 110.3° |
| C24 | C25 | H25 | 110.5° | 109.9° |
| C24 | C25 | H25A | 111.2° | 109.9° |
| C24 | C23 | C26 | 103.6° | 103.0° |
| C24 | C23 | N36 | 115.6° | 110.7° |
| C23 | C24 | H24 | 112.2° | 110.4° |
| C24 | C23 | H23 | 112.2° | 110.7° |
| C18 | C27 | S9 | 119.8° | 119.8° |
| C27 | C18 | C2 | 121.6° | 120.1° |
| C27 | C18 | H18 | 119.2° | 120.0° |
| C27 | S9 | O40 | 106.4° | 106.4° |
| C27 | S9 | N32 | 104.3° | 107.2° |
| C27 | S9 | O11 | 105.7° | 106.4° |
| C2 | C18 | H18 | 119.2° | 119.9° |
| C18 | C2 | H2 | 120.3° | 120.1° |
| O40 | S9 | N32 | 109.5° | 106.4° |
| O40 | S9 | O11 | 123.0° | 123.2° |
| N32 | S9 | O11 | 106.3° | 106.3° |
| S9 | N32 | C33 | 118.2° | 120.0° |
| N32 | C33 | C34 | 116.7° | 109.4° |
| N32 | C33 | H33 | 107.1° | 109.5° |
| N32 | C33 | H33A | 105.5° | 109.5° |
| C33 | C34 | C35 | 125.8° | 120.0° |
| C34 | C33 | H33 | 107.2° | 109.5° |
| C34 | C33 | H33A | 105.5° | 109.4° |
| C33 | C34 | H34 | 117.1° | 120.0° |
| C34 | C35 | C11 | 125.3° | 120.0° |
| C35 | C34 | H34 | 117.1° | 120.0° |
| C35 | C11 | H11 | 109.5° | 109.4° |
| C35 | C11 | H11A | 109.4° | 109.5° |
| C35 | C11 | H11B | 109.5° | 109.4° |
| C25 | N22 | C26 | 110.1° | 105.8° |
| N22 | C25 | H25 | 110.5° | 109.9° |
| N22 | C25 | H25A | 111.1° | 109.9° |
| C25 | N22 | HN22 | 109.2° | 111.0° |
| N22 | C26 | C23 | 106.4° | 103.2° |
| C26 | N22 | HN22 | 109.3° | 111.0° |
| N22 | C26 | H26 | 110.5° | 110.7° |
| N22 | C26 | H26A | 111.2° | 110.7° |
| N2 | C9 | O3 | 120.2° | 120.1° |
| N2 | C9 | C4 | 120.7° | 120.0° |
| C9 | N2 | HN2 | 112.0° | 120.0° |
| C9 | N2 | HN2A | 124.0° | 120.1° |
| C4 | C3 | C19 | 119.4° | 119.9° |
| C3 | C4 | C7 | 118.8° | 119.7° |
| C3 | C4 | C9 | 119.0° | 120.2° |
| C4 | C3 | H3 | 120.3° | 120.1° |
| C3 | C19 | C28 | 121.6° | 120.1° |
| C19 | C3 | H3 | 120.3° | 120.1° |
| C3 | C19 | H19 | 119.2° | 119.9° |
| O3 | C9 | C4 | 118.8° | 119.9° |
| C4 | C7 | C21 | 121.8° | 119.9° |
| C7 | C4 | C9 | 122.2° | 120.2° |
| C4 | C7 | H7 | 119.1° | 120.0° |
| C7 | C21 | C28 | 119.0° | 120.1° |
| C21 | C7 | H7 | 119.1° | 120.1° |
| C7 | C21 | H21 | 120.5° | 119.9° |
| O12 | S10 | C28 | 105.7° | 106.4° |
| O12 | S10 | N36 | 106.3° | 106.4° |
| O12 | S10 | O41 | 123.0° | 123.1° |
| C28 | S10 | N36 | 104.3° | 107.2° |
| C28 | S10 | O41 | 106.4° | 106.4° |
| S10 | C28 | C19 | 119.8° | 119.8° |
| S10 | C28 | C21 | 120.8° | 119.9° |
| N36 | S10 | O41 | 109.5° | 106.4° |
| S10 | N36 | C23 | 115.8° | 120.0° |
| S10 | N36 | C37 | 118.2° | 120.0° |
| C12 | C39 | C13 | 116.2° | 120.0° |
| C12 | C39 | C38 | 118.5° | 120.0° |
| C39 | C12 | H12 | 109.5° | 109.5° |
| C39 | C12 | H12A | 109.5° | 109.5° |
| C39 | C12 | H12B | 109.5° | 109.5° |
| C13 | C39 | C38 | 125.3° | 119.9° |
| C39 | C13 | H13 | 109.5° | 109.4° |
| C39 | C13 | H13A | 109.5° | 109.5° |
| C39 | C13 | H13B | 109.5° | 109.5° |
| C19 | C28 | C21 | 119.4° | 120.3° |
| C28 | C19 | H19 | 119.2° | 120.0° |
| C28 | C21 | H21 | 120.5° | 119.9° |
| C26 | C23 | N36 | 116.2° | 110.7° |
| C26 | C23 | H23 | 111.4° | 110.7° |
| C23 | C26 | H26 | 110.5° | 110.6° |
| C23 | C26 | H26A | 111.2° | 110.7° |
| C23 | N36 | C37 | 126.0° | 120.0° |
| N36 | C23 | H23 | 98.2° | 110.8° |
| N36 | C37 | C38 | 116.7° | 109.5° |
| N36 | C37 | H37 | 107.1° | 109.4° |
| N36 | C37 | H37A | 105.5° | 109.5° |
| C37 | C38 | C39 | 125.9° | 119.9° |
| C38 | C37 | H37 | 107.2° | 109.5° |
| C38 | C37 | H37A | 105.5° | 109.5° |
| C37 | C38 | H38 | 117.1° | 120.0° |
| C39 | C38 | H38 | 117.1° | 120.1° |
| HN1 | N1 | HN1A | 126.0° | 120.0° |
| H10 | C10 | H10A | 109.4° | 109.4° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H33 | C33 | H33A | 115.3° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.4° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H25 | C25 | H25A | 107.2° | 110.1° |
| HN2 | N2 | HN2A | 124.0° | 119.9° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.4° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.4° | 109.5° |
| H26 | C26 | H26A | 107.1° | 110.7° |
| H37 | C37 | H37A | 115.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C8 | C6 | C5 | 2.7° | 174.6° |
| N1 | C8 | C6 | O2 | 173.8° | 180.0° |
| N1 | C8 | C6 | C2 | 177.6° | 5.4° |
| C8 | N1 | HN1 | HN1A | 180.0° | 179.6° |
| C6 | C5 | C20 | H5 | 180.0° | 179.7° |
| C5 | C6 | C8 | C2 | 179.7° | 180.0° |
| C5 | C6 | C8 | O2 | 176.5° | 5.5° |
| C6 | C5 | C20 | C27 | 1.3° | 0.0° |
| C5 | C6 | C2 | C18 | 1.5° | 0.0° |
| C6 | C5 | C20 | H20 | 178.6° | 179.9° |
| C5 | C6 | C2 | H2 | 178.5° | 180.0° |
| C20 | C5 | C6 | C8 | 177.8° | 180.0° |
| C20 | C5 | C6 | C2 | 1.9° | 0.0° |
| C5 | C20 | C27 | H20 | 180.0° | 179.9° |
| C5 | C20 | C27 | C18 | 0.3° | 0.0° |
| C5 | C20 | C27 | S9 | 179.5° | 180.0° |
| C8 | C6 | C2 | C18 | 178.3° | 180.0° |
| C6 | C8 | N1 | HN1 | 0.0° | 5.0° |
| C6 | C8 | N1 | HN1A | 180.0° | 174.7° |
| C8 | C6 | C5 | H5 | 2.2° | 0.3° |
| C8 | C6 | C2 | H2 | 1.7° | 0.0° |
| C2 | C6 | C8 | O2 | 3.8° | 174.6° |
| C6 | C2 | C18 | C27 | 0.5° | 0.0° |
| C6 | C2 | C18 | H2 | 180.0° | 180.0° |
| C2 | C6 | C5 | H5 | 178.1° | 179.7° |
| C6 | C2 | C18 | H18 | 179.5° | 179.9° |
| O2 | C8 | N1 | HN1 | 173.7° | 175.0° |
| O2 | C8 | N1 | HN1A | 6.3° | 5.3° |
| C10 | C35 | C34 | C33 | 177.9° | 0.0° |
| C10 | C35 | C34 | C11 | 179.2° | 180.0° |
| C35 | C10 | H10 | H10A | 120.0° | 119.9° |
| C35 | C10 | H10 | H10B | 120.0° | 120.1° |
| C35 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C35 | C34 | H34 | 2.0° | 180.0° |
| C10 | C35 | C11 | H11 | 3.9° | 89.9° |
| C10 | C35 | C11 | H11A | 116.1° | 150.0° |
| C10 | C35 | C11 | H11B | 123.9° | 30.0° |
| C20 | C27 | C18 | S9 | 179.8° | 180.0° |
| C20 | C27 | C18 | C2 | 0.1° | 0.1° |
| C20 | C27 | S9 | O40 | 3.0° | 29.0° |
| C20 | C27 | S9 | N32 | 118.8° | 84.5° |
| C20 | C27 | S9 | O11 | 129.3° | 162.0° |
| C27 | C20 | C5 | H5 | 178.7° | 179.7° |
| C20 | C27 | C18 | H18 | 179.9° | 179.9° |
| N32 | C24 | C25 | C23 | 127.9° | 119.0° |
| N32 | C24 | C25 | H24 | 111.4° | 122.0° |
| N32 | C24 | C23 | H24 | 111.5° | 122.1° |
| C24 | N32 | S9 | C27 | 93.9° | 97.2° |
| C24 | N32 | S9 | O40 | 152.5° | 149.3° |
| C24 | N32 | S9 | C33 | 178.7° | 180.0° |
| C24 | N32 | S9 | O11 | 17.5° | 16.3° |
| C24 | N32 | C33 | C34 | 90.7° | 85.3° |
| N32 | C24 | C25 | N22 | 153.7° | 117.7° |
| N32 | C24 | C23 | C26 | 159.5° | 140.9° |
| N32 | C24 | C23 | N36 | 72.2° | 100.7° |
| C24 | N32 | C33 | H33 | 149.3° | 154.7° |
| C24 | N32 | C33 | H33A | 26.0° | 34.6° |
| N32 | C24 | C25 | H25 | 86.3° | 123.0° |
| N32 | C24 | C25 | H25A | 32.6° | 1.6° |
| N32 | C24 | C23 | H23 | 39.2° | 22.5° |
| C25 | C24 | C23 | H24 | 120.2° | 118.9° |
| C25 | C24 | N32 | S9 | 120.7° | 65.2° |
| C25 | C24 | N32 | C33 | 60.7° | 114.8° |
| C24 | C25 | N22 | H25 | 120.0° | 119.4° |
| C24 | C25 | N22 | H25A | 121.2° | 119.3° |
| C24 | C25 | N22 | C26 | 10.1° | 25.4° |
| C25 | C24 | C23 | C26 | 31.2° | 21.9° |
| C25 | C24 | C23 | N36 | 159.5° | 140.3° |
| C24 | C25 | H25 | H25A | 121.3° | 121.3° |
| C24 | C25 | N22 | HN22 | 109.9° | 145.8° |
| C25 | C24 | C23 | H23 | 89.1° | 96.5° |
| C23 | C24 | N32 | S9 | 117.5° | 179.0° |
| C23 | C24 | N32 | C33 | 61.1° | 0.9° |
| C23 | C24 | C25 | N22 | 25.8° | 1.3° |
| C24 | C23 | C26 | N22 | 25.8° | 37.4° |
| C24 | C23 | N36 | S10 | 117.5° | 120.5° |
| C24 | C23 | C26 | N36 | 127.9° | 118.4° |
| C24 | C23 | C26 | H23 | 120.8° | 118.3° |
| C24 | C23 | N36 | H23 | 119.4° | 123.2° |
| C24 | C23 | N36 | C37 | 61.1° | 59.4° |
| C23 | C24 | C25 | H25 | 145.8° | 118.0° |
| C23 | C24 | C25 | H25A | 95.3° | 120.6° |
| C24 | C23 | C26 | H26 | 94.2° | 81.0° |
| C24 | C23 | C26 | H26A | 147.0° | 155.8° |
| C27 | C18 | C2 | H18 | 180.0° | 179.9° |
| C18 | C27 | S9 | O40 | 176.8° | 151.0° |
| C18 | C27 | S9 | N32 | 61.0° | 95.4° |
| C18 | C27 | S9 | O11 | 50.9° | 18.0° |
| C18 | C27 | C20 | H20 | 179.7° | 180.0° |
| C27 | C18 | C2 | H2 | 179.5° | 180.0° |
| S9 | C27 | C18 | C2 | 179.9° | 180.0° |
| C27 | S9 | O40 | N32 | 112.2° | 114.1° |
| C27 | S9 | O40 | O11 | 121.9° | 123.0° |
| C27 | S9 | N32 | O11 | 111.5° | 113.5° |
| C27 | S9 | N32 | C33 | 87.4° | 82.8° |
| S9 | C27 | C20 | H20 | 0.5° | 0.0° |
| S9 | C27 | C18 | H18 | 0.1° | 0.1° |
| O40 | S9 | N32 | O11 | 134.9° | 132.9° |
| O40 | S9 | N32 | C33 | 26.2° | 30.8° |
| S9 | N32 | C33 | C34 | 90.7° | 94.7° |
| S9 | N32 | C24 | H24 | 1.9° | 56.8° |
| S9 | N32 | C33 | H33 | 29.3° | 25.3° |
| S9 | N32 | C33 | H33A | 152.6° | 145.3° |
| O11 | S9 | N32 | C33 | 161.2° | 163.7° |
| N32 | C33 | C34 | H33 | 120.0° | 120.0° |
| N32 | C33 | C34 | H33A | 116.7° | 120.0° |
| N32 | C33 | C34 | C35 | 155.1° | 125.6° |
| C33 | N32 | C24 | H24 | 179.5° | 123.1° |
| N32 | C33 | H33 | H33A | 117.0° | 120.0° |
| N32 | C33 | C34 | H34 | 24.9° | 54.3° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C11 | 1.2° | 180.0° |
| C34 | C33 | H33 | H33A | 117.1° | 120.0° |
| C34 | C35 | C10 | H10 | 0.9° | 60.0° |
| C34 | C35 | C10 | H10A | 120.8° | 180.0° |
| C34 | C35 | C10 | H10B | 119.2° | 60.1° |
| C35 | C34 | C33 | H33 | 35.1° | 5.6° |
| C35 | C34 | C33 | H33A | 88.2° | 114.4° |
| C34 | C35 | C11 | H11 | 175.2° | 90.0° |
| C34 | C35 | C11 | H11A | 64.7° | 30.0° |
| C34 | C35 | C11 | H11B | 55.3° | 150.1° |
| C11 | C35 | C10 | H10 | 179.9° | 119.9° |
| C11 | C35 | C10 | H10A | 59.9° | 0.0° |
| C11 | C35 | C10 | H10B | 60.1° | 120.0° |
| C11 | C35 | C34 | H34 | 178.8° | 0.1° |
| C35 | C11 | H11 | H11A | 120.0° | 120.0° |
| C35 | C11 | H11 | H11B | 120.0° | 119.9° |
| C35 | C11 | H11A | H11B | 120.0° | 120.0° |
| C25 | N22 | C26 | HN22 | 120.0° | 120.5° |
| C25 | N22 | C26 | C23 | 10.1° | 39.2° |
| N22 | C25 | C24 | H24 | 94.9° | 120.3° |
| N22 | C25 | H25 | H25A | 121.2° | 121.2° |
| C25 | N22 | C26 | H26 | 109.9° | 79.2° |
| C25 | N22 | C26 | H26A | 131.3° | 157.7° |
| N22 | C26 | C23 | H26 | 120.0° | 118.4° |
| N22 | C26 | C23 | H26A | 121.2° | 118.5° |
| N22 | C26 | C23 | N36 | 153.7° | 155.8° |
| C26 | N22 | C25 | H25 | 130.1° | 94.0° |
| C26 | N22 | C25 | H25A | 111.1° | 144.7° |
| N22 | C26 | C23 | H23 | 94.9° | 81.0° |
| N22 | C26 | H26 | H26A | 121.3° | 123.1° |
| N2 | C9 | C4 | C3 | 177.6° | 180.0° |
| N2 | C9 | O3 | C4 | 173.8° | 180.0° |
| N2 | C9 | C4 | C7 | 2.7° | 0.0° |
| C9 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| C4 | C3 | C19 | H3 | 180.0° | 179.7° |
| C3 | C4 | C9 | O3 | 3.8° | 0.0° |
| C3 | C4 | C7 | C9 | 179.7° | 180.0° |
| C3 | C4 | C7 | C21 | 1.9° | 0.0° |
| C4 | C3 | C19 | C28 | 0.5° | 0.0° |
| C3 | C4 | C7 | H7 | 178.2° | 180.0° |
| C4 | C3 | C19 | H19 | 179.5° | 180.0° |
| C19 | C3 | C4 | C7 | 1.4° | 0.0° |
| C19 | C3 | C4 | C9 | 178.3° | 180.0° |
| C3 | C19 | C28 | S10 | 179.9° | 180.0° |
| C3 | C19 | C28 | H19 | 180.0° | 180.0° |
| C3 | C19 | C28 | C21 | 0.1° | 0.0° |
| O3 | C9 | C4 | C7 | 176.5° | 179.9° |
| O3 | C9 | N2 | HN2 | 0.0° | 0.0° |
| O3 | C9 | N2 | HN2A | 180.0° | 179.9° |
| C4 | C7 | C21 | H7 | 180.0° | 180.0° |
| C4 | C7 | C21 | C28 | 1.3° | 0.0° |
| C7 | C4 | C3 | H3 | 178.6° | 179.7° |
| C4 | C7 | C21 | H21 | 178.8° | 180.0° |
| C21 | C7 | C4 | C9 | 177.8° | 180.0° |
| C7 | C21 | C28 | S10 | 179.5° | 180.0° |
| C7 | C21 | C28 | C19 | 0.3° | 0.0° |
| C7 | C21 | C28 | H21 | 180.0° | 180.0° |
| C4 | C9 | N2 | HN2 | 173.7° | 180.0° |
| C4 | C9 | N2 | HN2A | 6.3° | 0.0° |
| C9 | C4 | C3 | H3 | 1.7° | 0.3° |
| C9 | C4 | C7 | H7 | 2.2° | 0.0° |
| O12 | S10 | C28 | N36 | 111.9° | 113.5° |
| O12 | S10 | C28 | O41 | 132.3° | 132.9° |
| O12 | S10 | N36 | O41 | 134.9° | 132.9° |
| O12 | S10 | C28 | C19 | 50.9° | 163.5° |
| O12 | S10 | C28 | C21 | 129.3° | 16.5° |
| O12 | S10 | N36 | C23 | 17.5° | 14.0° |
| O12 | S10 | N36 | C37 | 161.2° | 166.0° |
| C28 | S10 | N36 | O41 | 113.6° | 113.6° |
| S10 | C28 | C19 | C21 | 179.8° | 180.0° |
| C28 | S10 | N36 | C23 | 94.0° | 99.5° |
| C28 | S10 | N36 | C37 | 87.3° | 80.4° |
| S10 | C28 | C19 | H19 | 0.1° | 0.0° |
| S10 | C28 | C21 | H21 | 0.5° | 0.1° |
| N36 | S10 | C28 | C19 | 61.0° | 82.9° |
| N36 | S10 | C28 | C21 | 118.8° | 97.1° |
| S10 | N36 | C23 | C26 | 120.7° | 125.9° |
| S10 | N36 | C23 | C37 | 178.6° | 179.9° |
| S10 | N36 | C37 | C38 | 90.7° | 93.5° |
| S10 | N36 | C23 | H23 | 1.9° | 2.7° |
| S10 | N36 | C37 | H37 | 29.3° | 146.5° |
| S10 | N36 | C37 | H37A | 152.6° | 26.6° |
| O41 | S10 | C28 | C19 | 176.8° | 30.6° |
| O41 | S10 | C28 | C21 | 3.0° | 149.4° |
| O41 | S10 | N36 | C23 | 152.5° | 146.9° |
| O41 | S10 | N36 | C37 | 26.2° | 33.2° |
| C12 | C39 | C13 | C38 | 179.1° | 180.0° |
| C12 | C39 | C38 | C37 | 178.0° | 5.8° |
| C39 | C12 | H12 | H12A | 120.0° | 120.0° |
| C39 | C12 | H12 | H12B | 120.0° | 120.0° |
| C39 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | C39 | C13 | H13 | 5.6° | 93.4° |
| C12 | C39 | C13 | H13A | 125.6° | 146.7° |
| C12 | C39 | C13 | H13B | 114.4° | 26.6° |
| C12 | C39 | C38 | H38 | 2.0° | 174.3° |
| C13 | C39 | C38 | C37 | 1.2° | 174.3° |
| C13 | C39 | C12 | H12 | 157.7° | 0.0° |
| C13 | C39 | C12 | H12A | 37.7° | 120.0° |
| C13 | C39 | C12 | H12B | 82.4° | 120.0° |
| C39 | C13 | H13 | H13A | 120.0° | 120.0° |
| C39 | C13 | H13 | H13B | 120.0° | 120.0° |
| C39 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C39 | C38 | H38 | 178.8° | 5.7° |
| C28 | C19 | C3 | H3 | 179.5° | 179.7° |
| C19 | C28 | C21 | H21 | 179.8° | 180.0° |
| C28 | C21 | C7 | H7 | 178.7° | 180.0° |
| C21 | C28 | C19 | H19 | 179.9° | 180.0° |
| C26 | C23 | N36 | H23 | 118.8° | 123.2° |
| C26 | C23 | N36 | C37 | 60.7° | 54.1° |
| C26 | C23 | C24 | H24 | 89.0° | 97.0° |
| C23 | C26 | N22 | HN22 | 130.1° | 159.7° |
| C23 | C26 | H26 | H26A | 121.2° | 123.1° |
| C23 | N36 | C37 | C38 | 90.7° | 86.5° |
| N36 | C23 | C24 | H24 | 39.3° | 21.4° |
| N36 | C23 | C26 | H26 | 33.7° | 37.4° |
| N36 | C23 | C26 | H26A | 85.1° | 85.8° |
| C23 | N36 | C37 | H37 | 149.3° | 33.5° |
| C23 | N36 | C37 | H37A | 26.0° | 153.5° |
| N36 | C37 | C38 | H37 | 120.0° | 119.9° |
| N36 | C37 | C38 | H37A | 116.7° | 120.0° |
| N36 | C37 | C38 | C39 | 155.1° | 126.8° |
| C37 | N36 | C23 | H23 | 179.5° | 177.4° |
| N36 | C37 | H37 | H37A | 117.0° | 120.0° |
| N36 | C37 | C38 | H38 | 24.9° | 53.3° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C38 | C37 | H37 | H37A | 117.0° | 120.1° |
| C38 | C39 | C12 | H12 | 23.1° | 180.0° |
| C38 | C39 | C12 | H12A | 143.1° | 60.0° |
| C38 | C39 | C12 | H12B | 96.8° | 60.0° |
| C38 | C39 | C13 | H13 | 175.3° | 86.6° |
| C38 | C39 | C13 | H13A | 55.2° | 33.3° |
| C38 | C39 | C13 | H13B | 64.7° | 153.4° |
| C39 | C38 | C37 | H37 | 35.1° | 6.9° |
| C39 | C38 | C37 | H37A | 88.2° | 113.2° |
| H5 | C5 | C20 | H20 | 1.3° | 0.3° |
| H10 | C10 | H10A | H10B | 120.0° | 120.1° |
| H24 | C24 | C25 | H25 | 25.1° | 1.0° |
| H24 | C24 | C25 | H25A | 143.9° | 120.4° |
| H24 | C24 | C23 | H23 | 150.7° | 144.6° |
| H18 | C18 | C2 | H2 | 0.5° | 0.1° |
| H33 | C33 | C34 | H34 | 144.9° | 174.3° |
| H33A | C33 | C34 | H34 | 91.8° | 65.6° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H25 | C25 | N22 | HN22 | 10.1° | 26.5° |
| H25A | C25 | N22 | HN22 | 128.9° | 94.8° |
| HN22 | N22 | C26 | H26 | 10.1° | 41.3° |
| HN22 | N22 | C26 | H26A | 108.7° | 81.9° |
| H3 | C3 | C19 | H19 | 0.5° | 0.3° |
| H7 | C7 | C21 | H21 | 1.2° | 0.1° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H23 | C23 | C26 | H26 | 145.1° | 160.6° |
| H23 | C23 | C26 | H26A | 26.3° | 37.5° |
| H37 | C37 | C38 | H38 | 144.9° | 173.2° |
| H37A | C37 | C38 | H38 | 91.8° | 66.8° |
