PRD_001058
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.46Å | |
| C1 | N9 | sing | 1.35Å | 1.28Å | |
| C1 | O9 | doub | 1.21Å | 1.22Å | |
| N1 | C2 | sing | 1.47Å | 1.41Å | |
| N1 | C6 | sing | 1.35Å | 1.30Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | C6 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.41Å | |
| N2 | C11 | sing | 1.35Å | 1.30Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | C11 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O4 | C10 | sing | 1.34Å | 1.22Å | |
| C5 | O8 | sing | 1.34Å | 1.23Å | |
| C5 | O8E | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.51Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| S7 | C18 | sing | 1.76Å | 1.75Å | Aromatic |
| S7 | C29 | sing | 1.76Å | 1.75Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.45Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| N9 | HN9A | sing | 0.97Å | 1.00Å | |
| C10 | O4E | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C27 | sing | 1.51Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C18 | sing | 1.48Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.34Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.48Å | 1.42Å | Aromatic |
| C20 | C29 | doub | 1.35Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| O4 | H30 | sing | 0.97Å | 0.95Å | |
| O8 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N9 | 120.4° | 120.0° |
| C2 | C1 | O9 | 122.7° | 120.0° |
| C1 | C2 | N1 | 106.4° | 109.5° |
| C1 | C2 | C3 | 114.8° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| N9 | C1 | O9 | 116.9° | 120.0° |
| C1 | N9 | HN9 | 120.0° | 120.0° |
| C1 | N9 | HN9A | 120.0° | 120.0° |
| C2 | N1 | C6 | 126.4° | 120.1° |
| C2 | N1 | HN1 | 116.8° | 120.0° |
| N1 | C2 | C3 | 111.4° | 109.5° |
| N1 | C2 | H2 | 112.2° | 109.4° |
| C6 | N1 | HN1 | 116.8° | 120.0° |
| N1 | C6 | O1 | 116.1° | 120.0° |
| N1 | C6 | C7 | 123.8° | 120.0° |
| O1 | C6 | C7 | 119.9° | 120.0° |
| C3 | C2 | H2 | 103.4° | 109.5° |
| C2 | C3 | C4 | 114.7° | 109.4° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| C2 | C3 | H3A | 107.8° | 109.5° |
| C7 | N2 | C11 | 123.7° | 120.0° |
| C7 | N2 | HN2 | 118.1° | 120.0° |
| N2 | C7 | C6 | 110.1° | 109.5° |
| N2 | C7 | C8 | 111.4° | 109.5° |
| N2 | C7 | H7 | 109.0° | 109.4° |
| C11 | N2 | HN2 | 118.2° | 120.0° |
| N2 | C11 | O2 | 117.6° | 120.0° |
| N2 | C11 | C12 | 122.3° | 120.0° |
| O2 | C11 | C12 | 120.1° | 120.0° |
| C4 | C3 | H3 | 107.8° | 109.5° |
| C4 | C3 | H3A | 107.8° | 109.5° |
| C3 | C4 | C5 | 112.1° | 109.4° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C3 | C4 | H4A | 108.6° | 109.5° |
| H3 | C3 | H3A | 111.1° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C5 | C4 | H4A | 108.6° | 109.5° |
| C4 | C5 | O8 | 120.4° | 120.0° |
| C4 | C5 | O8E | 121.2° | 120.0° |
| H4 | C4 | H4A | 110.3° | 109.5° |
| O4 | C10 | C9 | 120.7° | 120.0° |
| O4 | C10 | O4E | 118.1° | 120.0° |
| C10 | O4 | H30 | 109.5° | 117.0° |
| O8 | C5 | O8E | 118.4° | 120.0° |
| C5 | O8 | H31 | 109.5° | 116.9° |
| C6 | C7 | C8 | 113.1° | 109.5° |
| C6 | C7 | H7 | 107.2° | 109.5° |
| C8 | C7 | H7 | 105.8° | 109.5° |
| C7 | C8 | C9 | 115.3° | 109.5° |
| C7 | C8 | H8 | 107.6° | 109.5° |
| C7 | C8 | H8A | 107.6° | 109.5° |
| C18 | S7 | C29 | 96.0° | 91.2° |
| S7 | C18 | C16 | 125.9° | 125.1° |
| S7 | C18 | C19 | 106.3° | 109.8° |
| S7 | C29 | C20 | 107.6° | 109.7° |
| S7 | C29 | H29 | 126.2° | 125.1° |
| C9 | C8 | H8 | 107.6° | 109.5° |
| C9 | C8 | H8A | 107.6° | 109.5° |
| C8 | C9 | C10 | 112.4° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C8 | C9 | H9A | 108.5° | 109.5° |
| H8 | C8 | H8A | 111.3° | 109.4° |
| C10 | C9 | H9 | 108.5° | 109.5° |
| C10 | C9 | H9A | 108.5° | 109.5° |
| C9 | C10 | O4E | 121.2° | 120.0° |
| H9 | C9 | H9A | 110.4° | 109.4° |
| HN9 | N9 | HN9A | 120.0° | 120.0° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C11 | C12 | H12 | 108.6° | 109.4° |
| C11 | C12 | H12A | 108.6° | 109.4° |
| C13 | C12 | H12 | 108.6° | 109.5° |
| C13 | C12 | H12A | 108.6° | 109.5° |
| C12 | C13 | C27 | 113.3° | 109.5° |
| C12 | C13 | H13 | 108.2° | 109.4° |
| C12 | C13 | H13A | 108.2° | 109.5° |
| H12 | C12 | H12A | 110.3° | 109.5° |
| C27 | C13 | H13 | 108.2° | 109.5° |
| C27 | C13 | H13A | 108.2° | 109.5° |
| C13 | C27 | C14 | 121.0° | 119.8° |
| C13 | C27 | C28 | 120.5° | 119.9° |
| H13 | C13 | H13A | 110.7° | 109.5° |
| C17 | C14 | C27 | 120.8° | 120.1° |
| C17 | C14 | H14 | 119.6° | 119.9° |
| C14 | C17 | C16 | 120.5° | 119.9° |
| C14 | C17 | H17 | 119.8° | 120.1° |
| C27 | C14 | H14 | 119.6° | 119.9° |
| C14 | C27 | C28 | 118.5° | 120.3° |
| C16 | C15 | C28 | 120.5° | 119.9° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C15 | C16 | C17 | 118.9° | 119.7° |
| C15 | C16 | C18 | 120.8° | 120.2° |
| C28 | C15 | H15 | 119.7° | 120.1° |
| C15 | C28 | C27 | 120.8° | 120.1° |
| C15 | C28 | H28 | 119.6° | 120.0° |
| C17 | C16 | C18 | 120.2° | 120.2° |
| C16 | C17 | H17 | 119.8° | 120.1° |
| C16 | C18 | C19 | 127.8° | 125.1° |
| C18 | C19 | C20 | 116.2° | 114.7° |
| C18 | C19 | H19 | 121.9° | 122.7° |
| C20 | C19 | H19 | 121.9° | 122.7° |
| C19 | C20 | C21 | 123.4° | 122.7° |
| C19 | C20 | C29 | 114.0° | 114.6° |
| C21 | C20 | C29 | 122.6° | 122.7° |
| C20 | C21 | C22 | 120.5° | 120.1° |
| C20 | C21 | C26 | 120.8° | 120.1° |
| C20 | C29 | H29 | 126.2° | 125.1° |
| C22 | C21 | C26 | 118.7° | 119.8° |
| C21 | C22 | C23 | 120.7° | 119.8° |
| C21 | C22 | H22 | 119.7° | 120.1° |
| C21 | C26 | C25 | 120.6° | 119.9° |
| C21 | C26 | H26 | 119.7° | 120.0° |
| C23 | C22 | H22 | 119.6° | 120.1° |
| C22 | C23 | C24 | 120.0° | 120.2° |
| C22 | C23 | H23 | 120.0° | 119.9° |
| C24 | C23 | H23 | 120.0° | 119.9° |
| C23 | C24 | C25 | 120.0° | 120.2° |
| C23 | C24 | H24 | 120.0° | 119.9° |
| C25 | C24 | H24 | 120.0° | 119.9° |
| C24 | C25 | C26 | 120.1° | 120.1° |
| C24 | C25 | H25 | 119.9° | 119.9° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.1° |
| C27 | C28 | H28 | 119.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N9 | O9 | 178.5° | 179.7° |
| C1 | C2 | N1 | C3 | 125.9° | 120.0° |
| C1 | C2 | N1 | H2 | 118.8° | 120.0° |
| C1 | C2 | N1 | C6 | 166.1° | 84.9° |
| C1 | C2 | N1 | HN1 | 14.0° | 95.0° |
| C1 | C2 | C3 | H2 | 118.2° | 120.0° |
| C1 | C2 | C3 | C4 | 64.2° | 175.0° |
| C1 | C2 | C3 | H3 | 175.8° | 65.0° |
| C1 | C2 | C3 | H3A | 55.8° | 55.0° |
| C2 | C1 | N9 | HN9 | 178.6° | 0.0° |
| C2 | C1 | N9 | HN9A | 1.4° | 180.0° |
| N9 | C1 | C2 | N1 | 72.4° | 180.0° |
| N9 | C1 | C2 | C3 | 163.8° | 60.0° |
| N9 | C1 | C2 | H2 | 48.7° | 60.0° |
| C1 | N9 | HN9 | HN9A | 180.0° | 180.0° |
| O9 | C1 | C2 | N1 | 106.1° | 0.3° |
| O9 | C1 | C2 | C3 | 17.7° | 119.7° |
| O9 | C1 | C2 | H2 | 132.9° | 120.3° |
| O9 | C1 | N9 | HN9 | 0.0° | 179.7° |
| O9 | C1 | N9 | HN9A | 180.0° | 0.3° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.9° |
| C2 | N1 | C6 | O1 | 107.8° | 0.0° |
| N1 | C2 | C3 | H2 | 120.7° | 120.0° |
| N1 | C2 | C3 | C4 | 174.7° | 65.0° |
| N1 | C2 | C3 | H3 | 54.7° | 55.0° |
| N1 | C2 | C3 | H3A | 65.4° | 175.0° |
| C2 | N1 | C6 | C7 | 77.6° | 180.0° |
| N1 | C6 | O1 | C7 | 174.9° | 180.0° |
| C6 | N1 | C2 | C3 | 68.1° | 155.0° |
| C6 | N1 | C2 | H2 | 47.3° | 35.0° |
| N1 | C6 | C7 | N2 | 76.2° | 180.0° |
| N1 | C6 | C7 | C8 | 49.2° | 60.0° |
| N1 | C6 | C7 | H7 | 165.3° | 60.0° |
| HN1 | N1 | C6 | O1 | 72.2° | 180.0° |
| HN1 | N1 | C2 | C3 | 111.9° | 25.0° |
| HN1 | N1 | C2 | H2 | 132.7° | 145.0° |
| HN1 | N1 | C6 | C7 | 102.5° | 0.1° |
| O1 | C6 | C7 | N2 | 109.3° | 0.0° |
| O1 | C6 | C7 | C8 | 125.3° | 120.0° |
| O1 | C6 | C7 | H7 | 9.1° | 119.9° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 117.9° | 120.0° |
| C2 | C3 | C4 | C5 | 176.7° | 180.0° |
| C2 | C3 | C4 | H4 | 63.3° | 60.0° |
| C2 | C3 | C4 | H4A | 56.6° | 60.0° |
| H2 | C2 | C3 | C4 | 53.9° | 55.0° |
| H2 | C2 | C3 | H3 | 66.0° | 175.0° |
| H2 | C2 | C3 | H3A | 173.9° | 65.0° |
| C7 | N2 | C11 | HN2 | 180.0° | 179.9° |
| C7 | N2 | C11 | O2 | 97.2° | 0.1° |
| N2 | C7 | C6 | C8 | 125.4° | 120.0° |
| N2 | C7 | C6 | H7 | 118.5° | 119.9° |
| N2 | C7 | C8 | H7 | 118.3° | 120.0° |
| N2 | C7 | C8 | C9 | 177.3° | 65.0° |
| N2 | C7 | C8 | H8 | 57.2° | 55.0° |
| N2 | C7 | C8 | H8A | 62.7° | 175.0° |
| C7 | N2 | C11 | C12 | 81.6° | 180.0° |
| N2 | C11 | O2 | C12 | 178.9° | 180.0° |
| C11 | N2 | C7 | C6 | 169.8° | 155.0° |
| C11 | N2 | C7 | C8 | 63.8° | 85.0° |
| C11 | N2 | C7 | H7 | 52.5° | 35.1° |
| N2 | C11 | C12 | C13 | 109.0° | 180.0° |
| N2 | C11 | C12 | H12 | 11.0° | 59.9° |
| N2 | C11 | C12 | H12A | 131.0° | 60.0° |
| HN2 | N2 | C11 | O2 | 82.8° | 180.0° |
| HN2 | N2 | C7 | C6 | 10.2° | 25.1° |
| HN2 | N2 | C7 | C8 | 116.2° | 95.0° |
| HN2 | N2 | C7 | H7 | 127.5° | 145.0° |
| HN2 | N2 | C11 | C12 | 98.3° | 0.1° |
| O2 | C11 | C12 | C13 | 69.9° | 0.0° |
| O2 | C11 | C12 | H12 | 170.1° | 120.0° |
| O2 | C11 | C12 | H12A | 50.1° | 120.0° |
| C4 | C3 | H3 | H3A | 117.8° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 118.9° | 120.0° |
| C3 | C4 | C5 | O8 | 64.7° | 180.0° |
| C3 | C4 | C5 | O8E | 116.3° | 0.0° |
| H3 | C3 | C4 | C5 | 56.7° | 60.0° |
| H3 | C3 | C4 | H4 | 176.7° | NaN° |
| H3 | C3 | C4 | H4A | 63.3° | 59.9° |
| H3A | C3 | C4 | C5 | 63.3° | 60.0° |
| H3A | C3 | C4 | H4 | 56.7° | 60.0° |
| H3A | C3 | C4 | H4A | 176.7° | 180.0° |
| C5 | C4 | H4 | H4A | 118.9° | 120.0° |
| C4 | C5 | O8 | O8E | 179.0° | 180.0° |
| C4 | C5 | O8 | H31 | 179.0° | 180.0° |
| H4 | C4 | C5 | O8 | 55.3° | 60.1° |
| H4 | C4 | C5 | O8E | 123.7° | 120.0° |
| H4A | C4 | C5 | O8 | 175.3° | 60.0° |
| H4A | C4 | C5 | O8E | 3.7° | 120.0° |
| O4 | C10 | C9 | C8 | 71.5° | 180.0° |
| O4 | C10 | C9 | O4E | 179.3° | 179.9° |
| O4 | C10 | C9 | H9 | 168.6° | 60.0° |
| O4 | C10 | C9 | H9A | 48.6° | 59.9° |
| O8E | C5 | O8 | H31 | 0.0° | 0.0° |
| C6 | C7 | C8 | H7 | 117.0° | 120.0° |
| C6 | C7 | C8 | C9 | 58.1° | 175.0° |
| C6 | C7 | C8 | H8 | 178.1° | 65.0° |
| C6 | C7 | C8 | H8A | 61.9° | 55.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 117.6° | 120.0° |
| C7 | C8 | C9 | C10 | 176.9° | 180.0° |
| C7 | C8 | C9 | H9 | 63.1° | 60.0° |
| C7 | C8 | C9 | H9A | 56.9° | 60.0° |
| H7 | C7 | C8 | C9 | 58.9° | 55.0° |
| H7 | C7 | C8 | H8 | 61.1° | 175.0° |
| H7 | C7 | C8 | H8A | 178.9° | 65.1° |
| S7 | C18 | C16 | C15 | 132.2° | 0.0° |
| S7 | C18 | C16 | C17 | 47.7° | 179.9° |
| S7 | C18 | C16 | C19 | 179.9° | 180.0° |
| S7 | C18 | C19 | C20 | 0.2° | 0.1° |
| S7 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | S7 | C29 | C20 | 1.3° | 0.0° |
| C18 | S7 | C29 | H29 | 178.7° | 180.0° |
| C29 | S7 | C18 | C16 | 179.3° | 180.0° |
| C29 | S7 | C18 | C19 | 0.7° | 0.0° |
| S7 | C29 | C20 | C19 | 1.6° | 0.0° |
| S7 | C29 | C20 | C21 | 177.3° | 180.0° |
| S7 | C29 | C20 | H29 | 180.0° | 180.0° |
| C9 | C8 | H8 | H8A | 117.6° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 118.8° | 120.0° |
| C8 | C9 | C10 | O4E | 109.2° | 0.1° |
| H8 | C8 | C9 | C10 | 56.9° | 60.0° |
| H8 | C8 | C9 | H9 | 176.9° | NaN° |
| H8 | C8 | C9 | H9A | 63.2° | 60.0° |
| H8A | C8 | C9 | C10 | 63.1° | 60.0° |
| H8A | C8 | C9 | H9 | 56.9° | 60.0° |
| H8A | C8 | C9 | H9A | 176.9° | 180.0° |
| C10 | C9 | H9 | H9A | 118.8° | 120.0° |
| C9 | C10 | O4 | H30 | 179.3° | 180.0° |
| H9 | C9 | C10 | O4E | 10.7° | 120.0° |
| H9A | C9 | C10 | O4E | 130.7° | 120.0° |
| O4E | C10 | O4 | H30 | 0.0° | 0.1° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12A | 119.0° | 119.9° |
| C11 | C12 | C13 | C27 | 177.9° | 180.0° |
| C11 | C12 | C13 | H13 | 57.9° | 60.0° |
| C11 | C12 | C13 | H13A | 62.1° | 60.0° |
| C13 | C12 | H12 | H12A | 118.9° | 120.0° |
| C12 | C13 | C27 | H13 | 120.0° | 120.0° |
| C12 | C13 | C27 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 118.4° | 120.0° |
| C12 | C13 | C27 | C14 | 113.2° | 90.0° |
| C12 | C13 | C27 | C28 | 67.7° | 90.0° |
| H12 | C12 | C13 | C27 | 62.1° | 60.0° |
| H12 | C12 | C13 | H13 | 177.9° | 180.0° |
| H12 | C12 | C13 | H13A | 57.9° | 60.0° |
| H12A | C12 | C13 | C27 | 57.9° | 60.0° |
| H12A | C12 | C13 | H13 | 62.1° | 60.0° |
| H12A | C12 | C13 | H13A | 177.9° | 180.0° |
| C27 | C13 | H13 | H13A | 118.4° | 120.0° |
| C13 | C27 | C14 | C17 | 179.6° | 180.0° |
| C13 | C27 | C14 | C28 | 179.2° | 180.0° |
| C13 | C27 | C14 | H14 | 0.4° | 0.4° |
| C13 | C27 | C28 | C15 | 179.1° | 180.0° |
| C13 | C27 | C28 | H28 | 0.9° | 0.0° |
| H13 | C13 | C27 | C14 | 6.8° | 30.0° |
| H13 | C13 | C27 | C28 | 172.3° | 150.0° |
| H13A | C13 | C27 | C14 | 126.9° | 150.0° |
| H13A | C13 | C27 | C28 | 52.3° | 30.0° |
| C17 | C14 | C27 | H14 | 180.0° | 179.6° |
| C14 | C17 | C16 | C15 | 0.3° | 0.1° |
| C14 | C17 | C16 | H17 | 180.0° | 179.9° |
| C14 | C17 | C16 | C18 | 179.8° | 180.0° |
| C17 | C14 | C27 | C28 | 0.4° | 0.0° |
| C14 | C27 | C28 | C15 | 0.1° | 0.0° |
| C27 | C14 | C17 | C16 | 0.6° | 0.1° |
| C27 | C14 | C17 | H17 | 179.3° | 180.0° |
| C14 | C27 | C28 | H28 | 179.9° | 180.0° |
| H14 | C14 | C17 | C16 | 179.4° | 179.7° |
| H14 | C14 | C17 | H17 | 0.6° | 0.4° |
| H14 | C14 | C27 | C28 | 179.6° | 179.7° |
| C16 | C15 | C28 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.9° | 179.9° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C15 | C16 | C18 | C19 | 47.7° | 180.0° |
| C16 | C15 | C28 | C27 | 0.4° | 0.1° |
| C16 | C15 | C28 | H28 | 179.6° | 180.0° |
| C28 | C15 | C16 | C17 | 0.2° | 0.1° |
| C28 | C15 | C16 | C18 | 179.7° | 180.0° |
| C15 | C28 | C27 | H28 | 180.0° | 180.0° |
| H15 | C15 | C16 | C17 | 179.8° | 180.0° |
| H15 | C15 | C16 | C18 | 0.3° | 0.1° |
| H15 | C15 | C28 | C27 | 179.6° | 180.0° |
| H15 | C15 | C28 | H28 | 0.4° | 0.0° |
| C17 | C16 | C18 | C19 | 132.4° | 0.1° |
| C18 | C16 | C17 | H17 | 0.2° | 0.1° |
| C16 | C18 | C19 | C20 | 179.9° | 180.0° |
| C16 | C18 | C19 | H19 | 0.1° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 177.6° | 180.0° |
| C18 | C19 | C20 | C29 | 1.2° | 0.0° |
| C19 | C20 | C21 | C29 | 178.7° | 179.9° |
| C19 | C20 | C21 | C22 | 52.7° | 179.9° |
| C19 | C20 | C21 | C26 | 128.4° | 0.3° |
| C19 | C20 | C29 | H29 | 178.4° | 180.0° |
| H19 | C19 | C20 | C21 | 2.3° | 0.0° |
| H19 | C19 | C20 | C29 | 178.8° | 180.0° |
| C20 | C21 | C22 | C26 | 179.0° | 179.7° |
| C20 | C21 | C22 | C23 | 178.2° | 180.0° |
| C20 | C21 | C22 | H22 | 1.8° | 0.0° |
| C20 | C21 | C26 | C25 | 178.7° | 179.8° |
| C20 | C21 | C26 | H26 | 1.3° | 0.0° |
| C21 | C20 | C29 | H29 | 2.7° | 0.0° |
| C29 | C20 | C21 | C22 | 126.1° | 0.0° |
| C29 | C20 | C21 | C26 | 52.9° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.1° |
| C21 | C22 | C23 | H23 | 179.4° | 180.0° |
| C22 | C21 | C26 | C25 | 0.3° | 0.5° |
| C22 | C21 | C26 | H26 | 179.7° | 179.7° |
| C26 | C21 | C22 | C23 | 0.7° | 0.3° |
| C26 | C21 | C22 | H22 | 179.3° | 179.7° |
| C21 | C26 | C25 | C24 | 0.3° | 0.6° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C21 | C26 | C25 | H25 | 179.7° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| H22 | C22 | C23 | C24 | 179.4° | 180.0° |
| H22 | C22 | C23 | H23 | 0.6° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.4° | 0.3° |
| C23 | C24 | C25 | H25 | 179.6° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.7° |
| C24 | C25 | C26 | H26 | 179.7° | 179.7° |
| H24 | C24 | C25 | C26 | 179.6° | 179.8° |
| H24 | C24 | C25 | H25 | 0.4° | 0.0° |
| H25 | C25 | C26 | H26 | 0.3° | 0.0° |
