STU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C25 | sing | 1.40Å | 1.43Å | |
| O4 | C21 | sing | 1.40Å | 1.44Å | |
| C25 | C24 | sing | 1.52Å | 1.55Å | |
| C25 | N3 | sing | 1.46Å | 1.46Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C23 | N4 | sing | 1.47Å | 1.57Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| C22 | C21 | sing | 1.52Å | 1.57Å | |
| C22 | O6 | sing | 1.43Å | 1.44Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C21 | C26 | sing | 1.53Å | 1.51Å | |
| C21 | N2 | sing | 1.46Å | 1.50Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| N2 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C17 | sing | 1.37Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.34Å | Aromatic |
| C18 | C11 | sing | 1.40Å | 1.44Å | Aromatic |
| C19 | C6 | sing | 1.39Å | 1.45Å | Aromatic |
| C19 | N3 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.45Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.43Å | Aromatic |
| C7 | C10 | sing | 1.39Å | 1.31Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.51Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.46Å | 1.40Å | Aromatic |
| C12 | C17 | doub | 1.41Å | 1.45Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.36Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C9 | N1 | sing | 1.47Å | 1.45Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| N1 | C8 | sing | 1.34Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C8 | O5 | doub | 1.22Å | 1.21Å | |
| C5 | C20 | doub | 1.42Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| C20 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | N3 | sing | 1.39Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| O6 | C27 | sing | 1.43Å | 1.42Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| N4 | C28 | sing | 1.47Å | 1.51Å | |
| N4 | HN4 | sing | 1.01Å | 1.02Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O4 | C21 | 121.3° | 116.7° |
| O4 | C25 | C24 | 112.0° | 114.1° |
| O4 | C25 | N3 | 109.7° | 113.5° |
| O4 | C25 | H25 | 108.8° | 105.8° |
| O4 | C21 | C22 | 113.5° | 113.6° |
| O4 | C21 | C26 | 103.6° | 105.7° |
| O4 | C21 | N2 | 107.0° | 114.2° |
| C24 | C25 | N3 | 112.9° | 111.3° |
| C24 | C25 | H25 | 105.4° | 105.6° |
| C25 | C24 | C23 | 109.8° | 109.4° |
| C25 | C24 | H241 | 112.1° | 109.5° |
| C25 | C24 | H242 | 112.1° | 109.4° |
| N3 | C25 | H25 | 107.8° | 105.6° |
| C25 | N3 | C19 | 124.6° | 125.7° |
| C25 | N3 | C20 | 123.4° | 124.3° |
| C23 | C24 | H241 | 112.1° | 109.5° |
| C23 | C24 | H242 | 112.1° | 109.5° |
| C24 | C23 | C22 | 109.0° | 107.7° |
| C24 | C23 | N4 | 108.9° | 109.8° |
| C24 | C23 | H23 | 110.5° | 109.8° |
| H241 | C24 | H242 | 98.3° | 109.5° |
| C22 | C23 | N4 | 110.6° | 109.9° |
| C22 | C23 | H23 | 108.8° | 109.8° |
| C23 | C22 | C21 | 104.2° | 108.6° |
| C23 | C22 | O6 | 105.7° | 108.4° |
| C23 | C22 | H22 | 115.3° | 111.3° |
| N4 | C23 | H23 | 109.0° | 109.8° |
| C23 | N4 | C28 | 109.6° | 106.7° |
| C23 | N4 | HN4 | 112.2° | 106.7° |
| C21 | C22 | O6 | 110.1° | 109.5° |
| C21 | C22 | H22 | 111.3° | 109.6° |
| C22 | C21 | C26 | 107.7° | 104.7° |
| C22 | C21 | N2 | 113.2° | 112.0° |
| O6 | C22 | H22 | 109.9° | 109.5° |
| C22 | O6 | C27 | 111.5° | 106.8° |
| C26 | C21 | N2 | 111.6° | 105.6° |
| C21 | C26 | H261 | 103.5° | 109.5° |
| C21 | C26 | H262 | 114.4° | 109.5° |
| C21 | C26 | H263 | 114.4° | 109.5° |
| C21 | N2 | C18 | 121.1° | 124.2° |
| C21 | N2 | C17 | 127.1° | 126.8° |
| H261 | C26 | H262 | 114.4° | 109.5° |
| H261 | C26 | H263 | 114.5° | 109.4° |
| H262 | C26 | H263 | 96.1° | 109.5° |
| C18 | N2 | C17 | 111.5° | 109.0° |
| N2 | C18 | C19 | 131.5° | 129.9° |
| N2 | C18 | C11 | 106.3° | 109.8° |
| N2 | C17 | C12 | 105.5° | 108.9° |
| N2 | C17 | C16 | 134.7° | 130.6° |
| C19 | C18 | C11 | 122.2° | 120.2° |
| C18 | C19 | C6 | 121.5° | 120.3° |
| C18 | C19 | N3 | 133.2° | 129.6° |
| C18 | C11 | C10 | 116.3° | 119.5° |
| C18 | C11 | C12 | 108.7° | 105.6° |
| C6 | C19 | N3 | 105.4° | 110.1° |
| C19 | C6 | C7 | 114.4° | 119.4° |
| C19 | C6 | C5 | 107.4° | 105.8° |
| C19 | N3 | C20 | 111.0° | 109.9° |
| C7 | C6 | C5 | 138.2° | 134.7° |
| C6 | C7 | C10 | 123.5° | 119.7° |
| C6 | C7 | C8 | 126.3° | 131.9° |
| C6 | C5 | C20 | 106.4° | 106.7° |
| C6 | C5 | C4 | 133.6° | 131.8° |
| C10 | C7 | C8 | 110.2° | 108.4° |
| C7 | C10 | C11 | 122.1° | 120.8° |
| C7 | C10 | C9 | 111.1° | 106.4° |
| C7 | C8 | N1 | 103.0° | 110.4° |
| C7 | C8 | O5 | 128.5° | 124.8° |
| C11 | C10 | C9 | 126.8° | 132.8° |
| C10 | C11 | C12 | 135.0° | 134.9° |
| C10 | C9 | N1 | 98.3° | 106.1° |
| C10 | C9 | H91 | 116.5° | 110.1° |
| C10 | C9 | H92 | 116.5° | 110.1° |
| C11 | C12 | C17 | 108.0° | 106.7° |
| C11 | C12 | C13 | 132.8° | 131.8° |
| C17 | C12 | C13 | 119.2° | 121.5° |
| C12 | C17 | C16 | 119.8° | 120.6° |
| C12 | C13 | C14 | 120.5° | 116.8° |
| C12 | C13 | H13 | 119.8° | 121.6° |
| C17 | C16 | C15 | 120.5° | 117.1° |
| C17 | C16 | H16 | 118.5° | 121.4° |
| C15 | C16 | H16 | 121.0° | 121.4° |
| C16 | C15 | C14 | 119.9° | 122.2° |
| C16 | C15 | H15 | 119.9° | 118.9° |
| C14 | C15 | H15 | 120.3° | 118.9° |
| C15 | C14 | C13 | 120.2° | 121.8° |
| C15 | C14 | H14 | 120.7° | 119.1° |
| C13 | C14 | H14 | 119.1° | 119.1° |
| C14 | C13 | H13 | 119.8° | 121.6° |
| N1 | C9 | H91 | 116.5° | 110.1° |
| N1 | C9 | H92 | 116.5° | 110.1° |
| C9 | N1 | C8 | 117.3° | 108.6° |
| C9 | N1 | HN1 | 125.2° | 125.6° |
| H91 | C9 | H92 | 93.9° | 110.1° |
| C8 | N1 | HN1 | 117.5° | 125.7° |
| N1 | C8 | O5 | 128.5° | 124.8° |
| C20 | C5 | C4 | 120.1° | 121.4° |
| C5 | C20 | C1 | 121.2° | 120.6° |
| C5 | C20 | N3 | 109.9° | 107.3° |
| C5 | C4 | C3 | 119.1° | 116.8° |
| C5 | C4 | H4 | 119.3° | 121.6° |
| C1 | C20 | N3 | 128.9° | 132.1° |
| C20 | C1 | C2 | 118.0° | 117.1° |
| C20 | C1 | H1 | 121.9° | 121.5° |
| C2 | C1 | H1 | 120.1° | 121.4° |
| C1 | C2 | C3 | 120.7° | 122.2° |
| C1 | C2 | H2 | 118.9° | 118.9° |
| C3 | C2 | H2 | 120.3° | 118.9° |
| C2 | C3 | C4 | 120.8° | 121.9° |
| C2 | C3 | H3 | 119.6° | 119.1° |
| C4 | C3 | H3 | 119.7° | 119.1° |
| C3 | C4 | H4 | 121.5° | 121.6° |
| O6 | C27 | H271 | 111.5° | 109.5° |
| O6 | C27 | H272 | 111.5° | 109.5° |
| O6 | C27 | H273 | 111.5° | 109.5° |
| H271 | C27 | H272 | 111.4° | 109.4° |
| H271 | C27 | H273 | 111.5° | 109.4° |
| H272 | C27 | H273 | 99.0° | 109.5° |
| C28 | N4 | HN4 | 112.2° | 106.7° |
| N4 | C28 | H281 | 109.5° | 109.5° |
| N4 | C28 | H282 | 112.1° | 109.5° |
| N4 | C28 | H283 | 112.1° | 109.4° |
| H281 | C28 | H282 | 112.2° | 109.5° |
| H281 | C28 | H283 | 112.2° | 109.5° |
| H282 | C28 | H283 | 98.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C25 | C24 | N3 | 124.5° | 130.0° |
| O4 | C25 | C24 | H25 | 118.2° | 115.8° |
| O4 | C25 | N3 | H25 | 118.4° | 115.5° |
| O4 | C25 | C24 | C23 | 2.5° | 52.1° |
| O4 | C25 | C24 | H241 | 122.8° | 172.1° |
| O4 | C25 | C24 | H242 | 127.7° | 67.9° |
| C25 | O4 | C21 | C22 | 32.5° | 50.1° |
| C25 | O4 | C21 | C26 | 149.0° | 164.3° |
| C25 | O4 | C21 | N2 | 93.1° | 80.1° |
| O4 | C25 | N3 | C19 | 14.3° | 32.8° |
| O4 | C25 | N3 | C20 | 153.2° | 149.7° |
| C21 | O4 | C25 | C24 | 49.0° | 48.6° |
| C21 | O4 | C25 | N3 | 77.3° | 80.4° |
| C21 | O4 | C25 | H25 | 165.0° | 164.3° |
| O4 | C21 | C22 | C23 | 26.6° | 54.9° |
| O4 | C21 | C22 | C26 | 114.0° | 114.9° |
| O4 | C21 | C22 | N2 | 122.1° | 131.2° |
| O4 | C21 | C22 | O6 | 86.4° | 173.1° |
| O4 | C21 | C22 | H22 | 151.5° | 66.9° |
| O4 | C21 | C26 | N2 | 114.7° | 121.4° |
| O4 | C21 | C26 | H261 | 180.0° | 83.8° |
| O4 | C21 | C26 | H262 | 54.8° | 36.2° |
| O4 | C21 | C26 | H263 | 54.7° | 156.2° |
| O4 | C21 | N2 | C18 | 39.6° | 31.3° |
| O4 | C21 | N2 | C17 | 146.7° | 147.9° |
| C24 | C25 | N3 | H25 | 115.9° | 114.1° |
| C25 | C24 | C23 | H241 | 125.3° | 120.0° |
| C25 | C24 | C23 | H242 | 125.2° | 119.9° |
| C25 | C24 | H241 | H242 | 118.0° | 120.0° |
| C25 | C24 | C23 | C22 | 54.8° | 57.5° |
| C25 | C24 | C23 | N4 | 175.6° | 62.2° |
| C25 | C24 | C23 | H23 | 64.7° | 177.0° |
| C24 | C25 | N3 | C19 | 111.4° | 97.6° |
| C24 | C25 | N3 | C20 | 81.1° | 79.9° |
| N3 | C25 | C24 | C23 | 122.0° | 77.9° |
| N3 | C25 | C24 | H241 | 112.7° | 42.0° |
| N3 | C25 | C24 | H242 | 3.2° | 162.1° |
| C25 | N3 | C19 | C18 | 11.4° | 0.6° |
| C25 | N3 | C19 | C6 | 168.7° | 180.0° |
| C25 | N3 | C19 | C20 | 168.9° | 177.8° |
| C25 | N3 | C20 | C5 | 168.7° | 179.9° |
| C25 | N3 | C20 | C1 | 11.4° | 1.5° |
| H25 | C25 | C24 | C23 | 120.6° | 167.9° |
| H25 | C25 | C24 | H241 | 4.7° | 72.1° |
| H25 | C25 | C24 | H242 | 114.1° | 48.0° |
| H25 | C25 | N3 | C19 | 132.7° | 148.3° |
| H25 | C25 | N3 | C20 | 34.8° | 34.2° |
| C23 | C24 | H241 | H242 | 118.0° | 120.1° |
| C24 | C23 | C22 | N4 | 119.8° | 119.6° |
| C24 | C23 | C22 | H23 | 120.6° | 119.5° |
| C24 | C23 | N4 | H23 | 120.6° | 120.9° |
| C24 | C23 | C22 | C21 | 69.3° | 58.7° |
| C24 | C23 | C22 | O6 | 46.7° | 177.6° |
| C24 | C23 | C22 | H22 | 168.4° | 62.0° |
| C24 | C23 | N4 | C28 | 44.7° | 90.9° |
| C24 | C23 | N4 | HN4 | 170.0° | 155.4° |
| H241 | C24 | C23 | C22 | 179.9° | 177.5° |
| H241 | C24 | C23 | N4 | 59.1° | 57.9° |
| H241 | C24 | C23 | H23 | 60.6° | 63.0° |
| H242 | C24 | C23 | C22 | 70.4° | 62.5° |
| H242 | C24 | C23 | N4 | 50.4° | 177.9° |
| H242 | C24 | C23 | H23 | 170.0° | 57.1° |
| C22 | C23 | N4 | H23 | 119.6° | 120.9° |
| C23 | C22 | C21 | O6 | 112.9° | 118.1° |
| C23 | C22 | C21 | H22 | 124.9° | 121.8° |
| C23 | C22 | O6 | H22 | 125.1° | 121.6° |
| C23 | C22 | C21 | C26 | 87.4° | 169.8° |
| C23 | C22 | C21 | N2 | 148.7° | 76.3° |
| C23 | C22 | O6 | C27 | 137.4° | 91.7° |
| C22 | C23 | N4 | C28 | 164.5° | 150.8° |
| C22 | C23 | N4 | HN4 | 70.2° | 37.1° |
| N4 | C23 | C22 | C21 | 170.9° | 60.9° |
| N4 | C23 | C22 | O6 | 73.0° | 58.0° |
| N4 | C23 | C22 | H22 | 48.6° | 178.4° |
| C23 | N4 | C28 | HN4 | 125.3° | 113.8° |
| C23 | N4 | C28 | H281 | 180.0° | 180.0° |
| C23 | N4 | C28 | H282 | 54.7° | 60.0° |
| C23 | N4 | C28 | H283 | 54.8° | 60.0° |
| H23 | C23 | C22 | C21 | 51.3° | 178.3° |
| H23 | C23 | C22 | O6 | 167.3° | 62.9° |
| H23 | C23 | C22 | H22 | 71.0° | 57.5° |
| H23 | C23 | N4 | C28 | 75.9° | 30.0° |
| H23 | C23 | N4 | HN4 | 49.4° | 83.8° |
| C21 | C22 | O6 | H22 | 123.0° | 120.2° |
| C22 | C21 | C26 | N2 | 124.8° | 118.4° |
| C22 | C21 | C26 | H261 | 59.6° | 156.0° |
| C22 | C21 | C26 | H262 | 175.3° | 84.0° |
| C22 | C21 | C26 | H263 | 65.7° | 36.0° |
| C22 | C21 | N2 | C18 | 86.1° | 99.6° |
| C22 | C21 | N2 | C17 | 87.6° | 81.2° |
| C21 | C22 | O6 | C27 | 110.6° | 150.1° |
| O6 | C22 | C21 | C26 | 159.6° | 72.1° |
| O6 | C22 | C21 | N2 | 35.8° | 41.8° |
| C22 | O6 | C27 | H271 | 179.9° | 180.0° |
| C22 | O6 | C27 | H272 | 54.8° | 60.0° |
| C22 | O6 | C27 | H273 | 54.8° | 60.0° |
| H22 | C22 | C21 | C26 | 37.5° | 48.0° |
| H22 | C22 | C21 | N2 | 86.3° | 161.9° |
| H22 | C22 | O6 | C27 | 12.3° | 29.9° |
| C21 | C26 | H261 | H262 | 125.2° | 120.0° |
| C21 | C26 | H261 | H263 | 125.2° | 120.0° |
| C21 | C26 | H262 | H263 | 120.3° | 120.0° |
| C26 | C21 | N2 | C18 | 152.2° | 147.1° |
| C26 | C21 | N2 | C17 | 34.1° | 32.1° |
| N2 | C21 | C26 | H261 | 65.2° | 37.6° |
| N2 | C21 | C26 | H262 | 59.9° | 157.6° |
| N2 | C21 | C26 | H263 | 169.4° | 82.3° |
| C21 | N2 | C18 | C17 | 174.5° | 179.3° |
| C21 | N2 | C18 | C19 | 3.3° | 1.5° |
| C21 | N2 | C18 | C11 | 176.7° | 178.9° |
| C21 | N2 | C17 | C12 | 176.3° | 178.7° |
| C21 | N2 | C17 | C16 | 3.7° | 1.1° |
| H261 | C26 | H262 | H263 | 120.5° | 120.0° |
| N2 | C18 | C19 | C11 | 180.0° | 179.6° |
| N2 | C18 | C19 | C6 | 179.3° | 179.6° |
| N2 | C18 | C19 | N3 | 0.8° | 1.1° |
| N2 | C18 | C11 | C10 | 178.7° | 179.9° |
| N2 | C18 | C11 | C12 | 1.3° | 0.1° |
| C18 | N2 | C17 | C12 | 2.2° | 0.6° |
| C18 | N2 | C17 | C16 | 177.8° | 179.6° |
| C17 | N2 | C18 | C19 | 177.8° | 179.2° |
| C17 | N2 | C18 | C11 | 2.2° | 0.5° |
| N2 | C17 | C12 | C11 | 1.3° | 0.6° |
| N2 | C17 | C12 | C16 | 180.0° | 179.8° |
| N2 | C17 | C12 | C13 | 178.8° | 179.7° |
| N2 | C17 | C16 | C15 | 178.5° | 179.7° |
| N2 | C17 | C16 | H16 | 1.5° | 0.3° |
| C18 | C19 | C6 | N3 | 179.9° | 179.5° |
| C18 | C19 | C6 | C7 | 0.0° | 0.6° |
| C18 | C19 | C6 | C5 | 179.9° | 179.3° |
| C19 | C18 | C11 | C10 | 1.2° | 0.4° |
| C19 | C18 | C11 | C12 | 178.7° | 179.6° |
| C18 | C19 | N3 | C20 | 179.7° | 178.4° |
| C11 | C18 | C19 | C6 | 0.7° | 0.1° |
| C11 | C18 | C19 | N3 | 179.2° | 179.3° |
| C18 | C11 | C10 | C7 | 1.1° | 0.4° |
| C18 | C11 | C10 | C12 | 179.9° | 180.0° |
| C18 | C11 | C10 | C9 | 178.9° | 179.8° |
| C18 | C11 | C12 | C17 | 0.0° | 0.3° |
| C18 | C11 | C12 | C13 | 179.9° | 180.0° |
| C19 | C6 | C7 | C5 | 180.0° | 179.8° |
| C19 | C6 | C7 | C10 | 0.2° | 0.6° |
| C19 | C6 | C7 | C8 | 179.9° | 179.6° |
| C19 | C6 | C5 | C20 | 0.2° | 0.2° |
| C19 | C6 | C5 | C4 | 179.8° | 179.8° |
| C6 | C19 | N3 | C20 | 0.2° | 2.2° |
| N3 | C19 | C6 | C7 | 180.0° | 178.9° |
| N3 | C19 | C6 | C5 | 0.0° | 1.2° |
| C19 | N3 | C20 | C5 | 0.3° | 2.3° |
| C19 | N3 | C20 | C1 | 179.5° | 179.4° |
| C6 | C7 | C10 | C8 | 180.0° | 179.9° |
| C6 | C7 | C10 | C11 | 0.5° | 0.1° |
| C6 | C7 | C10 | C9 | 179.5° | 179.7° |
| C6 | C7 | C8 | N1 | 178.7° | 179.7° |
| C6 | C7 | C8 | O5 | 1.1° | 0.3° |
| C7 | C6 | C5 | C20 | 179.8° | 179.7° |
| C7 | C6 | C5 | C4 | 0.2° | 0.4° |
| C5 | C6 | C7 | C10 | 179.8° | 179.2° |
| C5 | C6 | C7 | C8 | 0.2° | 0.6° |
| C6 | C5 | C20 | C4 | 180.0° | 179.9° |
| C6 | C5 | C20 | C1 | 179.5° | 180.0° |
| C6 | C5 | C20 | N3 | 0.4° | 1.4° |
| C6 | C5 | C4 | C3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 0.0° | 0.0° |
| C7 | C10 | C11 | C9 | 180.0° | 179.8° |
| C7 | C10 | C11 | C12 | 178.8° | 179.6° |
| C7 | C10 | C9 | N1 | 1.8° | 0.1° |
| C7 | C10 | C9 | H91 | 123.4° | 119.3° |
| C7 | C10 | C9 | H92 | 127.0° | 119.1° |
| C10 | C7 | C8 | N1 | 1.3° | 0.2° |
| C10 | C7 | C8 | O5 | 178.9° | 179.9° |
| C8 | C7 | C10 | C11 | 179.5° | 180.0° |
| C8 | C7 | C10 | C9 | 0.5° | 0.2° |
| C7 | C8 | N1 | C9 | 2.7° | 0.1° |
| C7 | C8 | N1 | O5 | 179.8° | 180.0° |
| C7 | C8 | N1 | HN1 | 177.3° | 179.9° |
| C10 | C11 | C12 | C17 | 179.9° | 179.8° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C10 | C9 | N1 | 178.2° | 179.9° |
| C11 | C10 | C9 | H91 | 56.6° | 60.9° |
| C11 | C10 | C9 | H92 | 53.0° | 60.7° |
| C9 | C10 | C11 | C12 | 1.2° | 0.1° |
| C10 | C9 | N1 | H91 | 125.3° | 119.2° |
| C10 | C9 | N1 | H92 | 125.3° | 119.1° |
| C10 | C9 | H91 | H92 | 122.3° | 121.6° |
| C10 | C9 | N1 | C8 | 2.9° | 0.0° |
| C10 | C9 | N1 | HN1 | 177.1° | 180.0° |
| C11 | C12 | C17 | C13 | 180.0° | 179.7° |
| C11 | C12 | C17 | C16 | 178.7° | 179.7° |
| C11 | C12 | C13 | C14 | 179.3° | 179.6° |
| C11 | C12 | C13 | H13 | 0.7° | 0.4° |
| C12 | C17 | C16 | C15 | 1.5° | 0.0° |
| C12 | C17 | C16 | H16 | 178.4° | 179.9° |
| C17 | C12 | C13 | C14 | 0.7° | 0.1° |
| C17 | C12 | C13 | H13 | 179.4° | 179.9° |
| C13 | C12 | C17 | C16 | 1.2° | 0.1° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.6° | 179.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 1.3° | 0.0° |
| C17 | C16 | C15 | H15 | 178.7° | 179.9° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.7° | 0.0° |
| C16 | C15 | C14 | H14 | 179.3° | 179.9° |
| H16 | C16 | C15 | C14 | 178.7° | 180.0° |
| H16 | C16 | C15 | H15 | 1.3° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | H13 | 179.6° | 180.0° |
| H15 | C15 | C14 | C13 | 179.3° | 179.9° |
| H15 | C15 | C14 | H14 | 0.7° | 0.2° |
| H14 | C14 | C13 | H13 | 0.4° | 0.1° |
| N1 | C9 | H91 | H92 | 122.2° | 121.7° |
| C9 | N1 | C8 | HN1 | 180.0° | 180.0° |
| C9 | N1 | C8 | O5 | 177.5° | 179.9° |
| H91 | C9 | N1 | C8 | 122.4° | 119.2° |
| H91 | C9 | N1 | HN1 | 57.6° | 60.8° |
| H92 | C9 | N1 | C8 | 128.1° | 119.1° |
| H92 | C9 | N1 | HN1 | 51.8° | 60.9° |
| HN1 | N1 | C8 | O5 | 2.5° | 0.0° |
| C5 | C20 | C1 | N3 | 179.9° | 178.2° |
| C5 | C20 | C1 | C2 | 1.3° | 0.1° |
| C5 | C20 | C1 | H1 | 178.7° | 179.9° |
| C20 | C5 | C4 | C3 | 0.0° | 0.1° |
| C20 | C5 | C4 | H4 | 180.0° | 179.9° |
| C4 | C5 | C20 | C1 | 0.4° | 0.1° |
| C4 | C5 | C20 | N3 | 179.7° | 178.5° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C20 | C1 | C2 | H1 | 180.0° | 179.9° |
| C20 | C1 | C2 | C3 | 1.8° | 0.0° |
| C20 | C1 | C2 | H2 | 178.3° | 180.0° |
| N3 | C20 | C1 | C2 | 178.8° | 178.2° |
| N3 | C20 | C1 | H1 | 1.2° | 1.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.4° | 0.1° |
| C1 | C2 | C3 | H3 | 178.6° | 179.9° |
| H1 | C1 | C2 | C3 | 178.2° | 180.0° |
| H1 | C1 | C2 | H2 | 1.7° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| H2 | C2 | C3 | C4 | 178.6° | 180.0° |
| H2 | C2 | C3 | H3 | 1.4° | 0.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| O6 | C27 | H271 | H272 | 125.2° | 120.0° |
| O6 | C27 | H271 | H273 | 125.3° | 120.0° |
| O6 | C27 | H272 | H273 | 117.4° | 120.0° |
| H271 | C27 | H272 | H273 | 117.3° | 119.9° |
| N4 | C28 | H281 | H282 | 125.2° | 120.0° |
| N4 | C28 | H281 | H283 | 125.2° | 120.0° |
| N4 | C28 | H282 | H283 | 118.1° | 119.9° |
| HN4 | N4 | C28 | H281 | 54.7° | 66.2° |
| HN4 | N4 | C28 | H282 | 70.6° | 53.8° |
| HN4 | N4 | C28 | H283 | 179.9° | 173.7° |
| H281 | C28 | H282 | H283 | 118.1° | 120.0° |
