HB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C4 | trip | 1.11Å | 1.11Å | |
| C4 | RU1 | sing | 1.82Å | 1.82Å | |
| RU1 | C5 | sing | 2.25Å | 2.25Å | |
| RU1 | C6 | sing | 2.20Å | 2.20Å | |
| RU1 | C7 | sing | 2.16Å | 2.16Å | |
| RU1 | C8 | sing | 2.20Å | 2.20Å | |
| RU1 | C9 | sing | 2.25Å | 2.25Å | |
| RU1 | N3 | sing | 2.14Å | 2.14Å | |
| RU1 | N1 | sing | 2.09Å | 2.09Å | |
| C5 | C6 | doub | 1.43Å | 1.43Å | |
| C5 | C9 | doub | 1.42Å | 1.42Å | |
| C6 | C7 | sing | 1.40Å | 1.40Å | |
| C6 | H6C1 | sing | 1.10Å | 1.10Å | |
| C7 | C8 | doub | 1.42Å | 1.42Å | |
| C7 | H7C1 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.42Å | 1.42Å | |
| C8 | H8C1 | sing | 1.10Å | 1.10Å | |
| C9 | H9C1 | sing | 1.10Å | 1.10Å | |
| N3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| N3 | C3 | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| N1 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| C11 | C16 | sing | 1.44Å | 1.44Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C3 | doub | 1.42Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.50Å | 1.50Å | |
| C18 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | O1 | doub | 1.22Å | 1.22Å | |
| C19 | N2 | sing | 1.40Å | 1.40Å | |
| C21 | C20 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | doub | 1.45Å | 1.45Å | Aromatic |
| C20 | N2 | sing | 1.40Å | 1.40Å | |
| C20 | O2 | doub | 1.21Å | 1.21Å | |
| N2 | HB | sing | 1.00Å | 1.00Å | |
| C22 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.43Å | 1.43Å | Aromatic |
| C23 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | HA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C4 | RU1 | 174.3° | 174.3° |
| C4 | RU1 | C5 | 147.3° | 147.3° |
| C4 | RU1 | C6 | 109.7° | 109.7° |
| C4 | RU1 | C7 | 90.6° | 90.6° |
| C4 | RU1 | C8 | 108.6° | 108.6° |
| C4 | RU1 | C9 | 145.8° | 145.8° |
| C4 | RU1 | N3 | 93.4° | 93.4° |
| C4 | RU1 | N1 | 95.9° | 95.9° |
| C5 | RU1 | C6 | 37.6° | 37.6° |
| C5 | RU1 | C7 | 62.7° | 62.7° |
| C5 | RU1 | C8 | 62.4° | 62.4° |
| C5 | RU1 | C9 | 36.8° | 36.8° |
| C5 | RU1 | N3 | 93.0° | 93.0° |
| C5 | RU1 | N1 | 116.9° | 116.9° |
| RU1 | C5 | C6 | 69.3° | 69.3° |
| RU1 | C5 | C9 | 71.6° | 71.6° |
| C6 | RU1 | C7 | 37.4° | 37.4° |
| C6 | RU1 | C8 | 62.8° | 62.8° |
| C6 | RU1 | C9 | 62.1° | 62.1° |
| C6 | RU1 | N3 | 99.8° | 99.8° |
| C6 | RU1 | N1 | 154.4° | 154.4° |
| RU1 | C6 | C5 | 73.1° | 73.1° |
| RU1 | C6 | C7 | 70.0° | 70.0° |
| RU1 | C6 | H6C1 | 111.8° | 111.8° |
| C7 | RU1 | C8 | 37.9° | 37.9° |
| C7 | RU1 | C9 | 62.4° | 62.4° |
| C7 | RU1 | N3 | 134.4° | 134.4° |
| C7 | RU1 | N1 | 145.2° | 145.2° |
| RU1 | C7 | C6 | 72.6° | 72.6° |
| RU1 | C7 | C8 | 72.4° | 72.4° |
| RU1 | C7 | H7C1 | 112.0° | 112.0° |
| C8 | RU1 | C9 | 37.2° | 37.2° |
| C8 | RU1 | N3 | 155.3° | 155.3° |
| C8 | RU1 | N1 | 108.4° | 108.4° |
| RU1 | C8 | C7 | 69.7° | 69.7° |
| RU1 | C8 | C9 | 73.2° | 73.2° |
| RU1 | C8 | H8C1 | 112.0° | 112.0° |
| C9 | RU1 | N3 | 120.3° | 120.3° |
| C9 | RU1 | N1 | 95.9° | 95.9° |
| RU1 | C9 | C5 | 71.6° | 71.6° |
| RU1 | C9 | C8 | 69.6° | 69.6° |
| RU1 | C9 | H9C1 | 111.0° | 111.0° |
| N3 | RU1 | N1 | 79.4° | 79.4° |
| RU1 | N3 | C2 | 129.7° | 129.7° |
| RU1 | N3 | C3 | 112.0° | 112.0° |
| RU1 | N1 | C11 | 142.9° | 142.9° |
| RU1 | N1 | C10 | 110.9° | 110.9° |
| RU1 | N1 | H1 | 91.3° | 91.3° |
| C6 | C5 | C9 | 107.0° | 107.0° |
| C5 | C6 | C7 | 108.3° | 108.3° |
| C5 | C6 | H6C1 | 124.7° | 124.7° |
| C5 | C9 | C8 | 108.6° | 108.6° |
| C5 | C9 | H9C1 | 124.6° | 124.6° |
| C7 | C6 | H6C1 | 125.6° | 125.6° |
| C6 | C7 | C8 | 108.7° | 108.7° |
| C6 | C7 | H7C1 | 125.4° | 125.4° |
| C8 | C7 | H7C1 | 124.9° | 124.9° |
| C7 | C8 | C9 | 107.4° | 107.4° |
| C7 | C8 | H8C1 | 125.6° | 125.6° |
| C9 | C8 | H8C1 | 125.6° | 125.6° |
| C8 | C9 | H9C1 | 124.5° | 124.5° |
| C2 | N3 | C3 | 118.1° | 118.1° |
| N3 | C2 | C1 | 121.9° | 121.9° |
| N3 | C2 | H2 | 119.0° | 119.0° |
| N3 | C3 | C10 | 115.2° | 115.2° |
| N3 | C3 | C22 | 123.8° | 123.8° |
| C1 | C2 | H2 | 119.0° | 119.0° |
| C2 | C1 | C23 | 120.0° | 120.0° |
| C2 | C1 | HA | 120.0° | 120.0° |
| C11 | N1 | C10 | 106.0° | 106.0° |
| C11 | N1 | H1 | 91.9° | 92.0° |
| N1 | C11 | C16 | 110.7° | 110.7° |
| N1 | C11 | C12 | 127.2° | 127.2° |
| C10 | N1 | H1 | 92.0° | 92.0° |
| N1 | C10 | C17 | 113.8° | 113.8° |
| N1 | C10 | C3 | 122.2° | 122.2° |
| C16 | C11 | C12 | 122.1° | 122.1° |
| C11 | C16 | C15 | 119.9° | 119.9° |
| C11 | C16 | C17 | 105.9° | 105.9° |
| C11 | C12 | C13 | 116.8° | 116.8° |
| C11 | C12 | H12 | 121.6° | 121.6° |
| C15 | C16 | C17 | 134.2° | 134.2° |
| C16 | C15 | C14 | 117.2° | 117.2° |
| C16 | C15 | H15 | 121.4° | 121.4° |
| C16 | C17 | C10 | 103.6° | 103.6° |
| C16 | C17 | C18 | 141.0° | 141.0° |
| C14 | C15 | H15 | 121.4° | 121.4° |
| C15 | C14 | C13 | 122.0° | 122.0° |
| C15 | C14 | H14 | 119.0° | 119.0° |
| C13 | C14 | H14 | 119.0° | 119.0° |
| C14 | C13 | C12 | 122.0° | 122.0° |
| C14 | C13 | H13 | 119.0° | 119.0° |
| C12 | C13 | H13 | 119.0° | 119.0° |
| C13 | C12 | H12 | 121.6° | 121.6° |
| C10 | C17 | C18 | 115.4° | 115.4° |
| C17 | C10 | C3 | 124.0° | 124.0° |
| C17 | C18 | C19 | 130.2° | 130.2° |
| C17 | C18 | C21 | 121.4° | 121.4° |
| C10 | C3 | C22 | 120.9° | 120.9° |
| C19 | C18 | C21 | 108.3° | 108.3° |
| C18 | C19 | O1 | 129.8° | 129.8° |
| C18 | C19 | N2 | 104.5° | 104.5° |
| C18 | C21 | C20 | 108.0° | 108.0° |
| C18 | C21 | C22 | 123.5° | 123.5° |
| O1 | C19 | N2 | 125.6° | 125.6° |
| C19 | N2 | C20 | 113.1° | 113.1° |
| C19 | N2 | HB | 123.4° | 123.4° |
| C20 | C21 | C22 | 128.4° | 128.4° |
| C21 | C20 | N2 | 105.9° | 105.9° |
| C21 | C20 | O2 | 130.2° | 130.2° |
| C21 | C22 | C3 | 114.8° | 114.8° |
| C21 | C22 | C23 | 128.3° | 128.3° |
| N2 | C20 | O2 | 123.9° | 123.9° |
| C20 | N2 | HB | 123.5° | 123.5° |
| C3 | C22 | C23 | 116.9° | 116.9° |
| C22 | C23 | C1 | 119.2° | 119.2° |
| C22 | C23 | H23 | 120.4° | 120.4° |
| C1 | C23 | H23 | 120.4° | 120.4° |
| C23 | C1 | HA | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C4 | RU1 | C5 | 48.0° | 48.0° |
| O3 | C4 | RU1 | C6 | 47.2° | 47.2° |
| O3 | C4 | RU1 | C7 | 14.3° | 14.3° |
| O3 | C4 | RU1 | C8 | 19.7° | 19.7° |
| O3 | C4 | RU1 | C9 | 21.8° | 21.8° |
| O3 | C4 | RU1 | N3 | 148.9° | 148.9° |
| O3 | C4 | RU1 | N1 | 131.4° | 131.4° |
| C4 | RU1 | C5 | C6 | 1.2° | 1.2° |
| C4 | RU1 | C5 | C7 | 38.6° | 38.6° |
| C4 | RU1 | C5 | C8 | 81.6° | 81.6° |
| C4 | RU1 | C5 | C9 | 118.3° | 118.3° |
| C4 | RU1 | C5 | N3 | 101.0° | 101.0° |
| C4 | RU1 | C5 | N1 | 179.4° | 179.4° |
| C4 | RU1 | C6 | C7 | 63.4° | 63.4° |
| C4 | RU1 | C6 | C8 | 101.4° | 101.4° |
| C4 | RU1 | C6 | C9 | 143.6° | 143.6° |
| C4 | RU1 | C6 | N3 | 97.2° | 97.2° |
| C4 | RU1 | C6 | N1 | 176.8° | 176.8° |
| C4 | RU1 | C7 | C8 | 120.4° | 120.4° |
| C4 | RU1 | C7 | C9 | 158.1° | 158.1° |
| C4 | RU1 | C7 | N3 | 95.4° | 95.4° |
| C4 | RU1 | C7 | N1 | 101.2° | 101.2° |
| C4 | RU1 | C8 | C9 | 178.1° | 178.1° |
| C4 | RU1 | C8 | N3 | 151.8° | 151.8° |
| C4 | RU1 | C8 | N1 | 103.1° | 103.1° |
| C4 | RU1 | C9 | N3 | 169.2° | 169.2° |
| C4 | RU1 | C9 | N1 | 109.6° | 109.6° |
| C4 | RU1 | N3 | N1 | 95.3° | 95.3° |
| C4 | RU1 | C6 | H6C1 | 58.1° | 58.1° |
| C4 | RU1 | C7 | H7C1 | 0.8° | 0.8° |
| C4 | RU1 | C8 | H8C1 | 55.9° | 55.9° |
| C4 | RU1 | C9 | H9C1 | 117.0° | 117.0° |
| C4 | RU1 | N3 | C2 | 86.3° | 86.3° |
| C4 | RU1 | N3 | C3 | 99.0° | 99.0° |
| C4 | RU1 | N1 | C11 | 90.9° | 90.9° |
| C4 | RU1 | N1 | C10 | 96.6° | 96.6° |
| C4 | RU1 | N1 | H1 | 4.0° | 4.0° |
| C5 | RU1 | C6 | C7 | 117.3° | 117.3° |
| C5 | RU1 | C6 | C8 | 79.3° | 79.3° |
| C5 | RU1 | C6 | C9 | 37.1° | 37.1° |
| C5 | RU1 | C6 | N3 | 82.1° | 82.1° |
| C5 | RU1 | C6 | N1 | 3.9° | 3.9° |
| C5 | RU1 | C7 | C8 | 79.3° | 79.3° |
| C5 | RU1 | C7 | C9 | 41.6° | 41.6° |
| C5 | RU1 | C7 | N3 | 64.9° | 64.9° |
| C5 | RU1 | C7 | N1 | 98.5° | 98.5° |
| C5 | RU1 | C8 | C9 | 36.3° | 36.3° |
| C5 | RU1 | C8 | N3 | 6.2° | 6.2° |
| C5 | RU1 | C8 | N1 | 111.3° | 111.3° |
| C5 | RU1 | C9 | N3 | 47.1° | 47.1° |
| C5 | RU1 | C9 | N1 | 128.3° | 128.3° |
| C5 | RU1 | N3 | N1 | 116.8° | 116.8° |
| C5 | RU1 | C6 | H6C1 | 121.2° | 121.2° |
| C5 | RU1 | C7 | H7C1 | 159.5° | 159.5° |
| C5 | RU1 | C8 | H8C1 | 158.5° | 158.5° |
| C5 | RU1 | C9 | H9C1 | 120.9° | 120.9° |
| C5 | RU1 | N3 | C2 | 61.6° | 61.6° |
| C5 | RU1 | N3 | C3 | 113.1° | 113.1° |
| C5 | RU1 | N1 | C11 | 88.7° | 88.7° |
| C5 | RU1 | N1 | C10 | 83.8° | 83.8° |
| C5 | RU1 | N1 | H1 | 176.4° | 176.4° |
| C6 | RU1 | C7 | C8 | 116.9° | 116.9° |
| C6 | RU1 | C7 | C9 | 79.2° | 79.2° |
| C6 | RU1 | C7 | N3 | 27.3° | 27.3° |
| C6 | RU1 | C7 | N1 | 136.1° | 136.1° |
| C6 | RU1 | C8 | C9 | 78.9° | 78.9° |
| C6 | RU1 | C8 | N3 | 48.8° | 48.8° |
| C6 | RU1 | C8 | N1 | 153.9° | 153.9° |
| C6 | RU1 | C9 | N3 | 85.1° | 85.1° |
| C6 | RU1 | C9 | N1 | 166.3° | 166.3° |
| C6 | RU1 | N3 | N1 | 154.0° | 154.0° |
| RU1 | C6 | C7 | H6C1 | 103.0° | 103.0° |
| C6 | RU1 | C7 | H7C1 | 121.9° | 121.9° |
| C6 | RU1 | C8 | H8C1 | 158.9° | 158.9° |
| C6 | RU1 | C9 | H9C1 | 158.9° | 158.8° |
| C6 | RU1 | N3 | C2 | 24.3° | 24.3° |
| C6 | RU1 | N3 | C3 | 150.4° | 150.4° |
| C6 | RU1 | N1 | C11 | 86.1° | 86.1° |
| C6 | RU1 | N1 | C10 | 86.4° | 86.4° |
| C6 | RU1 | N1 | H1 | 179.0° | 179.0° |
| C7 | RU1 | C8 | C9 | 116.4° | 116.4° |
| C7 | RU1 | C8 | N3 | 86.4° | 86.4° |
| C7 | RU1 | C8 | N1 | 168.5° | 168.5° |
| C7 | RU1 | C9 | N3 | 127.6° | 127.6° |
| C7 | RU1 | C9 | N1 | 151.2° | 151.2° |
| C7 | RU1 | N3 | N1 | 170.5° | 170.5° |
| RU1 | C7 | C8 | H7C1 | 105.0° | 105.0° |
| C7 | RU1 | C8 | H8C1 | 121.3° | 121.3° |
| C7 | RU1 | C9 | H9C1 | 158.6° | 158.6° |
| C7 | RU1 | N3 | C2 | 7.9° | 7.9° |
| C7 | RU1 | N3 | C3 | 166.8° | 166.8° |
| C7 | RU1 | N1 | C11 | 8.6° | 8.6° |
| C7 | RU1 | N1 | C10 | 163.8° | 163.8° |
| C7 | RU1 | N1 | H1 | 103.5° | 103.6° |
| C8 | RU1 | C9 | N3 | 165.9° | 165.9° |
| C8 | RU1 | C9 | N1 | 112.9° | 112.9° |
| C8 | RU1 | N3 | N1 | 111.3° | 111.3° |
| C8 | RU1 | C6 | H6C1 | 159.5° | 159.5° |
| RU1 | C8 | C9 | H8C1 | 105.4° | 105.4° |
| C8 | RU1 | C9 | H9C1 | 120.3° | 120.3° |
| C8 | RU1 | N3 | C2 | 67.1° | 67.1° |
| C8 | RU1 | N3 | C3 | 107.6° | 107.6° |
| C8 | RU1 | N1 | C11 | 21.0° | 21.0° |
| C8 | RU1 | N1 | C10 | 151.5° | 151.5° |
| C8 | RU1 | N1 | H1 | 115.9° | 115.9° |
| C9 | RU1 | N3 | N1 | 90.7° | 90.7° |
| C9 | RU1 | C6 | H6C1 | 158.3° | 158.3° |
| C9 | RU1 | C7 | H7C1 | 158.9° | 158.9° |
| C9 | RU1 | N3 | C2 | 87.6° | 87.6° |
| C9 | RU1 | N3 | C3 | 87.1° | 87.1° |
| C9 | RU1 | N1 | C11 | 56.9° | 56.9° |
| C9 | RU1 | N1 | C10 | 115.5° | 115.5° |
| C9 | RU1 | N1 | H1 | 151.9° | 151.9° |
| N3 | RU1 | C6 | H6C1 | 39.2° | 39.2° |
| N3 | RU1 | C7 | H7C1 | 94.5° | 94.5° |
| N3 | RU1 | C8 | H8C1 | 152.3° | 152.3° |
| N3 | RU1 | C9 | H9C1 | 73.8° | 73.8° |
| RU1 | N3 | C2 | C3 | 174.4° | 174.4° |
| RU1 | N3 | C2 | C1 | 176.3° | 176.3° |
| RU1 | N3 | C2 | H2 | 3.7° | 3.7° |
| N3 | RU1 | N1 | C11 | 176.7° | 176.7° |
| N3 | RU1 | N1 | C10 | 4.2° | 4.2° |
| N3 | RU1 | N1 | H1 | 88.4° | 88.4° |
| RU1 | N3 | C3 | C10 | 2.4° | 2.4° |
| RU1 | N3 | C3 | C22 | 176.1° | 176.1° |
| N1 | RU1 | C6 | H6C1 | 125.1° | 125.1° |
| N1 | RU1 | C7 | H7C1 | 102.0° | 102.0° |
| N1 | RU1 | C8 | H8C1 | 47.2° | 47.2° |
| N1 | RU1 | C9 | H9C1 | 7.4° | 7.4° |
| N1 | RU1 | N3 | C2 | 178.3° | 178.3° |
| N1 | RU1 | N3 | C3 | 3.6° | 3.6° |
| RU1 | N1 | C11 | C10 | 172.7° | 172.7° |
| RU1 | N1 | C11 | H1 | 94.7° | 94.7° |
| RU1 | N1 | C10 | H1 | 92.2° | 92.1° |
| RU1 | N1 | C11 | C16 | 174.3° | 174.3° |
| RU1 | N1 | C11 | C12 | 6.2° | 6.2° |
| RU1 | N1 | C10 | C17 | 177.5° | 177.5° |
| RU1 | N1 | C10 | C3 | 4.6° | 4.6° |
| C5 | C6 | C7 | H6C1 | 166.5° | 166.5° |
| C5 | C6 | C7 | C8 | 0.4° | 0.4° |
| C5 | C6 | C7 | H7C1 | 168.5° | 168.5° |
| C6 | C5 | C9 | C8 | 0.5° | 0.5° |
| C6 | C5 | C9 | H9C1 | 163.8° | 163.8° |
| C9 | C5 | C6 | C7 | 0.6° | 0.6° |
| C9 | C5 | C6 | H6C1 | 167.2° | 167.2° |
| C5 | C9 | C8 | C7 | 0.3° | 0.3° |
| C5 | C9 | C8 | H9C1 | 163.3° | 163.3° |
| C5 | C9 | C8 | H8C1 | 166.7° | 166.7° |
| C6 | C7 | C8 | H7C1 | 168.9° | 168.9° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C6 | C7 | C8 | H8C1 | 167.1° | 167.1° |
| H6C1 | C6 | C7 | C8 | 166.9° | 166.9° |
| H6C1 | C6 | C7 | H7C1 | 2.0° | 2.0° |
| C7 | C8 | C9 | H8C1 | 167.0° | 167.0° |
| C7 | C8 | C9 | H9C1 | 163.6° | 163.6° |
| H7C1 | C7 | C8 | C9 | 168.9° | 168.9° |
| H7C1 | C7 | C8 | H8C1 | 1.9° | 1.9° |
| H8C1 | C8 | C9 | H9C1 | 3.4° | 3.4° |
| N3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | N3 | C3 | C10 | 177.8° | 177.8° |
| C2 | N3 | C3 | C22 | 0.7° | 0.7° |
| N3 | C2 | C1 | C23 | 1.1° | 1.1° |
| N3 | C2 | C1 | HA | 178.9° | 178.9° |
| C3 | N3 | C2 | C1 | 1.9° | 1.9° |
| C3 | N3 | C2 | H2 | 178.1° | 178.1° |
| N3 | C3 | C10 | N1 | 1.5° | 1.5° |
| N3 | C3 | C10 | C17 | 179.2° | 179.2° |
| N3 | C3 | C10 | C22 | 178.5° | 178.5° |
| N3 | C3 | C22 | C21 | 179.6° | 179.6° |
| N3 | C3 | C22 | C23 | 1.2° | 1.2° |
| C2 | C1 | C23 | C22 | 0.9° | 0.9° |
| C2 | C1 | C23 | HA | 180.0° | 180.0° |
| C2 | C1 | C23 | H23 | 179.1° | 179.2° |
| H2 | C2 | C1 | C23 | 178.9° | 178.9° |
| H2 | C2 | C1 | HA | 1.1° | 1.1° |
| C11 | N1 | C10 | H1 | 92.6° | 92.6° |
| N1 | C11 | C16 | C12 | 179.5° | 179.5° |
| N1 | C11 | C16 | C15 | 179.1° | 179.1° |
| N1 | C11 | C16 | C17 | 0.5° | 0.5° |
| N1 | C11 | C12 | C13 | 178.3° | 178.3° |
| N1 | C11 | C12 | H12 | 1.6° | 1.6° |
| C11 | N1 | C10 | C17 | 2.3° | 2.3° |
| C11 | N1 | C10 | C3 | 179.9° | 179.9° |
| C10 | N1 | C11 | C16 | 1.7° | 1.7° |
| C10 | N1 | C11 | C12 | 178.9° | 178.9° |
| N1 | C10 | C17 | C16 | 1.9° | 1.9° |
| N1 | C10 | C17 | C3 | 177.8° | 177.8° |
| N1 | C10 | C17 | C18 | 178.9° | 178.9° |
| N1 | C10 | C3 | C22 | 180.0° | 180.0° |
| H1 | N1 | C11 | C16 | 91.0° | 91.0° |
| H1 | N1 | C11 | C12 | 88.5° | 88.5° |
| H1 | N1 | C10 | C17 | 90.3° | 90.4° |
| H1 | N1 | C10 | C3 | 87.6° | 87.5° |
| C11 | C16 | C15 | C17 | 179.5° | 179.5° |
| C11 | C16 | C15 | C14 | 0.6° | 0.6° |
| C11 | C16 | C15 | H15 | 179.4° | 179.4° |
| C16 | C11 | C12 | C13 | 1.0° | 1.0° |
| C16 | C11 | C12 | H12 | 179.0° | 179.0° |
| C11 | C16 | C17 | C10 | 0.7° | 0.7° |
| C11 | C16 | C17 | C18 | 179.6° | 179.6° |
| C12 | C11 | C16 | C15 | 0.4° | 0.4° |
| C12 | C11 | C16 | C17 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.3° | 179.3° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.9° | 0.9° |
| C16 | C15 | C14 | H14 | 179.1° | 179.1° |
| C15 | C16 | C17 | C10 | 179.7° | 179.7° |
| C15 | C16 | C17 | C18 | 0.9° | 0.9° |
| C17 | C16 | C15 | C14 | 178.9° | 178.9° |
| C17 | C16 | C15 | H15 | 1.1° | 1.1° |
| C16 | C17 | C10 | C18 | 179.2° | 179.2° |
| C16 | C17 | C10 | C3 | 179.7° | 179.7° |
| C16 | C17 | C18 | C19 | 1.0° | 1.0° |
| C16 | C17 | C18 | C21 | 178.5° | 178.5° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.3° |
| C15 | C14 | C13 | H13 | 179.7° | 179.7° |
| H15 | C15 | C14 | C13 | 179.1° | 179.1° |
| H15 | C15 | C14 | H14 | 1.0° | 0.9° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 179.3° | 179.3° |
| H14 | C14 | C13 | C12 | 179.7° | 179.7° |
| H14 | C14 | C13 | H13 | 0.3° | 0.3° |
| H13 | C13 | C12 | H12 | 0.7° | 0.7° |
| C10 | C17 | C18 | C19 | 177.7° | 177.7° |
| C10 | C17 | C18 | C21 | 0.3° | 0.3° |
| C17 | C10 | C3 | C22 | 2.3° | 2.3° |
| C18 | C17 | C10 | C3 | 1.1° | 1.1° |
| C17 | C18 | C19 | C21 | 177.7° | 177.7° |
| C17 | C18 | C19 | O1 | 1.8° | 1.8° |
| C17 | C18 | C19 | N2 | 178.2° | 178.2° |
| C17 | C18 | C21 | C20 | 177.7° | 177.7° |
| C17 | C18 | C21 | C22 | 0.4° | 0.4° |
| C10 | C3 | C22 | C21 | 2.0° | 2.0° |
| C10 | C3 | C22 | C23 | 179.6° | 179.6° |
| C18 | C19 | O1 | N2 | 180.0° | 180.0° |
| C19 | C18 | C21 | C20 | 0.2° | 0.2° |
| C19 | C18 | C21 | C22 | 178.4° | 178.4° |
| C18 | C19 | N2 | C20 | 1.1° | 1.1° |
| C18 | C19 | N2 | HB | 178.9° | 178.9° |
| C21 | C18 | C19 | O1 | 179.5° | 179.5° |
| C21 | C18 | C19 | N2 | 0.5° | 0.5° |
| C18 | C21 | C20 | C22 | 178.0° | 178.0° |
| C18 | C21 | C20 | N2 | 0.9° | 0.9° |
| C18 | C21 | C20 | O2 | 179.5° | 179.5° |
| C18 | C21 | C22 | C3 | 0.7° | 0.7° |
| C18 | C21 | C22 | C23 | 178.9° | 178.9° |
| O1 | C19 | N2 | C20 | 178.9° | 178.9° |
| O1 | C19 | N2 | HB | 1.1° | 1.1° |
| C19 | N2 | C20 | C21 | 1.2° | 1.2° |
| C19 | N2 | C20 | HB | 180.0° | 180.0° |
| C19 | N2 | C20 | O2 | 179.1° | 179.1° |
| C21 | C20 | N2 | O2 | 179.7° | 179.7° |
| C21 | C20 | N2 | HB | 178.8° | 178.8° |
| C20 | C21 | C22 | C3 | 178.5° | 178.5° |
| C20 | C21 | C22 | C23 | 3.4° | 3.4° |
| C22 | C21 | C20 | N2 | 178.9° | 178.9° |
| C22 | C21 | C20 | O2 | 1.5° | 1.5° |
| C21 | C22 | C3 | C23 | 178.4° | 178.4° |
| C21 | C22 | C23 | C1 | 179.9° | 179.9° |
| C21 | C22 | C23 | H23 | 0.1° | 0.1° |
| O2 | C20 | N2 | HB | 0.9° | 0.9° |
| C3 | C22 | C23 | C1 | 1.9° | 1.9° |
| C3 | C22 | C23 | H23 | 178.0° | 178.1° |
| C22 | C23 | C1 | H23 | 180.0° | 180.0° |
| C22 | C23 | C1 | HA | 179.1° | 179.1° |
| H23 | C23 | C1 | HA | 0.9° | 0.9° |
