30K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C11 | doub | 1.22Å | 1.29Å | |
| C11 | N1 | sing | 1.34Å | 1.35Å | |
| C11 | C10 | sing | 1.47Å | 1.51Å | |
| N1 | C8 | sing | 1.39Å | 1.39Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.48Å | Aromatic |
| C9 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.49Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N4 | sing | 1.40Å | 1.33Å | |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| N4 | C23 | sing | 1.46Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C27 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C29 | sing | 1.47Å | 1.46Å | |
| N5 | C26 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C10 | C2 | doub | 1.39Å | 1.49Å | |
| C2 | C1 | sing | 1.48Å | 1.51Å | |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| C1 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N2 | doub | 1.31Å | 1.37Å | Aromatic |
| C3 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| N2 | C17 | sing | 1.35Å | 1.34Å | Aromatic |
| C17 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.46Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N3 | sing | 1.38Å | 1.32Å | Aromatic |
| C18 | C22 | sing | 1.39Å | 1.44Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | C28 | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | HA | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C11 | N1 | 121.0° | 126.0° |
| O1 | C11 | C10 | 125.8° | 126.0° |
| N1 | C11 | C10 | 113.1° | 108.0° |
| C11 | N1 | C8 | 107.7° | 111.3° |
| C11 | N1 | H1 | 126.1° | 124.4° |
| C11 | C10 | C7 | 101.9° | 105.1° |
| C11 | C10 | C2 | 133.6° | 127.4° |
| N1 | C8 | C9 | 131.1° | 131.6° |
| N1 | C8 | C7 | 111.1° | 109.2° |
| C8 | N1 | H1 | 126.2° | 124.3° |
| C9 | C8 | C7 | 117.8° | 119.2° |
| C8 | C9 | C4 | 119.8° | 120.2° |
| C8 | C9 | H9 | 120.1° | 119.9° |
| C8 | C7 | C6 | 122.1° | 120.4° |
| C8 | C7 | C10 | 106.2° | 106.4° |
| C9 | C4 | C5 | 120.3° | 120.6° |
| C4 | C9 | H9 | 120.1° | 119.9° |
| C9 | C4 | H4 | 119.9° | 119.7° |
| C6 | C7 | C10 | 131.7° | 133.2° |
| C7 | C6 | C5 | 117.7° | 119.7° |
| C7 | C6 | H6 | 121.1° | 120.1° |
| C7 | C10 | C2 | 124.5° | 127.4° |
| C6 | C5 | N4 | 119.6° | 120.1° |
| C6 | C5 | C4 | 122.4° | 120.0° |
| C5 | C6 | H6 | 121.2° | 120.2° |
| N4 | C5 | C4 | 117.9° | 120.0° |
| C5 | N4 | C23 | 122.4° | 120.0° |
| C5 | N4 | HA | 106.1° | 119.9° |
| C5 | C4 | H4 | 119.9° | 119.8° |
| N4 | C23 | C24 | 109.4° | 109.5° |
| N4 | C23 | C27 | 109.0° | 109.5° |
| C23 | N4 | HA | 106.2° | 120.0° |
| N4 | C23 | H23 | 110.0° | 109.5° |
| C24 | C23 | C27 | 110.8° | 109.2° |
| C23 | C24 | C25 | 114.1° | 109.3° |
| C24 | C23 | H23 | 108.6° | 109.5° |
| C23 | C24 | H241 | 108.3° | 109.5° |
| C23 | C24 | H242 | 108.3° | 109.5° |
| C23 | C27 | C26 | 107.8° | 109.3° |
| C27 | C23 | H23 | 109.0° | 109.6° |
| C23 | C27 | H271 | 109.9° | 109.4° |
| C23 | C27 | H272 | 109.9° | 109.5° |
| C24 | C25 | N5 | 114.3° | 109.6° |
| C25 | C24 | H241 | 108.3° | 109.5° |
| C25 | C24 | H242 | 108.3° | 109.5° |
| C24 | C25 | H251 | 108.2° | 109.5° |
| C24 | C25 | H252 | 108.2° | 109.4° |
| C25 | N5 | C29 | 109.8° | 111.0° |
| C25 | N5 | C26 | 110.8° | 111.2° |
| N5 | C25 | H251 | 108.2° | 109.5° |
| N5 | C25 | H252 | 108.2° | 109.5° |
| C29 | N5 | C26 | 108.5° | 111.0° |
| N5 | C29 | C30 | 116.0° | 109.5° |
| N5 | C29 | H291 | 107.8° | 109.5° |
| N5 | C29 | H292 | 107.8° | 109.5° |
| N5 | C26 | C27 | 113.5° | 109.6° |
| N5 | C26 | H261 | 108.4° | 109.4° |
| N5 | C26 | H262 | 108.5° | 109.5° |
| C30 | C29 | H291 | 107.8° | 109.5° |
| C30 | C29 | H292 | 107.8° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.4° |
| C29 | C30 | H302 | 109.4° | 109.5° |
| C29 | C30 | H303 | 109.4° | 109.4° |
| C26 | C27 | H271 | 109.9° | 109.5° |
| C26 | C27 | H272 | 109.9° | 109.6° |
| C27 | C26 | H261 | 108.5° | 109.5° |
| C27 | C26 | H262 | 108.4° | 109.4° |
| C10 | C2 | C1 | 122.2° | 120.0° |
| C10 | C2 | C3 | 121.9° | 120.0° |
| C1 | C2 | C3 | 115.8° | 120.0° |
| C2 | C1 | C12 | 119.9° | 120.2° |
| C2 | C1 | C16 | 120.2° | 120.2° |
| C2 | C3 | N2 | 119.1° | 125.1° |
| C2 | C3 | N3 | 128.1° | 125.1° |
| C12 | C1 | C16 | 119.8° | 119.7° |
| C1 | C12 | C13 | 121.2° | 119.9° |
| C1 | C12 | H12 | 119.4° | 120.0° |
| C1 | C16 | C15 | 119.1° | 119.8° |
| C1 | C16 | H16 | 120.5° | 120.1° |
| C12 | C13 | C14 | 118.7° | 120.2° |
| C13 | C12 | H12 | 119.4° | 120.1° |
| C12 | C13 | H13 | 120.6° | 119.9° |
| C13 | C14 | C15 | 120.5° | 120.3° |
| C14 | C13 | H13 | 120.6° | 119.9° |
| C13 | C14 | H14 | 119.8° | 119.9° |
| C14 | C15 | C16 | 120.7° | 120.2° |
| C15 | C14 | H14 | 119.7° | 119.8° |
| C14 | C15 | H15 | 119.7° | 119.9° |
| C15 | C16 | H16 | 120.4° | 120.1° |
| C16 | C15 | H15 | 119.7° | 119.9° |
| N2 | C3 | N3 | 112.7° | 109.7° |
| C3 | N2 | C17 | 107.0° | 109.7° |
| C3 | N3 | C18 | 104.4° | 107.0° |
| C3 | N3 | H3 | 127.8° | 126.6° |
| N2 | C17 | C19 | 137.4° | 133.3° |
| N2 | C17 | C18 | 105.0° | 107.4° |
| C19 | C17 | C18 | 117.6° | 119.4° |
| C17 | C19 | C20 | 119.3° | 119.8° |
| C17 | C19 | H19 | 120.3° | 120.1° |
| C17 | C18 | N3 | 110.8° | 106.2° |
| C17 | C18 | C22 | 121.7° | 120.1° |
| C19 | C20 | C21 | 122.8° | 120.5° |
| C19 | C20 | O2 | 117.5° | 119.8° |
| C20 | C19 | H19 | 120.4° | 120.1° |
| N3 | C18 | C22 | 127.5° | 133.8° |
| C18 | N3 | H3 | 127.8° | 126.5° |
| C18 | C22 | C21 | 117.9° | 119.9° |
| C18 | C22 | H22 | 121.1° | 120.1° |
| C22 | C21 | C20 | 120.7° | 120.5° |
| C21 | C22 | H22 | 121.1° | 120.0° |
| C22 | C21 | H21 | 119.6° | 119.8° |
| C21 | C20 | O2 | 119.5° | 119.8° |
| C20 | C21 | H21 | 119.7° | 119.7° |
| C20 | O2 | C28 | 114.4° | 117.0° |
| O2 | C28 | H281 | 109.5° | 109.5° |
| O2 | C28 | H282 | 109.5° | 109.5° |
| O2 | C28 | H283 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.6° |
| H271 | C27 | H272 | 109.5° | 109.6° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C11 | N1 | C10 | 179.4° | 179.7° |
| O1 | C11 | N1 | C8 | 178.3° | 180.0° |
| O1 | C11 | C10 | C7 | 178.2° | 179.9° |
| O1 | C11 | C10 | C2 | 0.7° | 0.0° |
| O1 | C11 | N1 | H1 | 1.8° | 0.1° |
| C11 | N1 | C8 | H1 | 180.0° | 179.9° |
| C11 | N1 | C8 | C9 | 178.8° | 179.9° |
| C11 | N1 | C8 | C7 | 0.7° | 0.0° |
| N1 | C11 | C10 | C7 | 1.1° | 0.5° |
| N1 | C11 | C10 | C2 | 178.6° | 179.7° |
| C10 | C11 | N1 | C8 | 1.1° | 0.3° |
| C11 | C10 | C7 | C8 | 0.6° | 0.5° |
| C11 | C10 | C7 | C6 | 178.7° | 179.9° |
| C11 | C10 | C7 | C2 | 177.8° | 179.8° |
| C11 | C10 | C2 | C1 | 179.7° | 180.0° |
| C11 | C10 | C2 | C3 | 4.9° | 0.0° |
| C10 | C11 | N1 | H1 | 178.8° | 179.8° |
| N1 | C8 | C9 | C7 | 178.0° | 179.9° |
| N1 | C8 | C9 | C4 | 178.3° | 179.9° |
| N1 | C8 | C7 | C6 | 178.4° | 180.0° |
| N1 | C8 | C7 | C10 | 0.0° | 0.3° |
| N1 | C8 | C9 | H9 | 1.7° | 0.1° |
| C8 | C9 | C4 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C9 | C8 | C7 | C10 | 178.4° | 179.8° |
| C8 | C9 | C4 | C5 | 0.0° | 0.1° |
| C9 | C8 | N1 | H1 | 1.2° | 0.0° |
| C8 | C9 | C4 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 0.3° | 0.0° |
| C8 | C7 | C6 | C10 | 177.9° | 179.6° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C8 | C7 | C10 | C2 | 178.4° | 179.7° |
| C7 | C8 | N1 | H1 | 179.3° | 179.9° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C6 | H6 | 179.4° | 180.0° |
| C9 | C4 | C5 | C6 | 0.6° | 0.2° |
| C9 | C4 | C5 | N4 | 176.8° | 180.0° |
| C9 | C4 | C5 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | N4 | 177.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.9° | 0.1° |
| C6 | C7 | C10 | C2 | 3.4° | 0.1° |
| C10 | C7 | C6 | C5 | 178.5° | 179.6° |
| C7 | C10 | C2 | C1 | 2.7° | 0.2° |
| C7 | C10 | C2 | C3 | 178.1° | 179.8° |
| C10 | C7 | C6 | H6 | 1.5° | 0.4° |
| C6 | C5 | N4 | C4 | 176.2° | 179.8° |
| C6 | C5 | N4 | C23 | 19.8° | 180.0° |
| C6 | C5 | C4 | H4 | 179.3° | 179.9° |
| C6 | C5 | N4 | HA | 141.6° | 0.1° |
| C5 | N4 | C23 | HA | 121.8° | 179.9° |
| C5 | N4 | C23 | C24 | 77.6° | 155.0° |
| C5 | N4 | C23 | C27 | 161.1° | 85.3° |
| N4 | C5 | C4 | H4 | 3.2° | 0.1° |
| N4 | C5 | C6 | H6 | 3.0° | 0.1° |
| C5 | N4 | C23 | H23 | 41.6° | 34.9° |
| C4 | C5 | N4 | C23 | 156.4° | 0.2° |
| C5 | C4 | C9 | H9 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 179.1° | 179.9° |
| C4 | C5 | N4 | HA | 34.6° | 179.9° |
| N4 | C23 | C24 | C27 | 120.2° | 119.9° |
| N4 | C23 | C24 | H23 | 120.0° | 120.1° |
| N4 | C23 | C27 | H23 | 120.1° | 120.2° |
| N4 | C23 | C24 | C25 | 167.3° | 177.5° |
| N4 | C23 | C27 | C26 | 174.9° | 177.6° |
| N4 | C23 | C24 | H241 | 72.0° | 62.5° |
| N4 | C23 | C24 | H242 | 46.6° | 57.6° |
| N4 | C23 | C27 | H271 | 55.2° | 57.7° |
| N4 | C23 | C27 | H272 | 65.4° | 62.4° |
| C24 | C23 | C27 | H23 | 119.5° | 119.9° |
| C23 | C24 | C25 | H241 | 120.7° | 120.0° |
| C23 | C24 | C25 | H242 | 120.7° | 119.9° |
| C23 | C24 | C25 | N5 | 43.7° | 59.2° |
| C24 | C23 | C27 | C26 | 54.5° | 57.6° |
| C24 | C23 | N4 | HA | 44.1° | 25.0° |
| C23 | C24 | H241 | H242 | 117.9° | 120.1° |
| C24 | C23 | C27 | H271 | 65.2° | 62.3° |
| C24 | C23 | C27 | H272 | 174.2° | 177.6° |
| C23 | C24 | C25 | H251 | 77.0° | 60.9° |
| C23 | C24 | C25 | H252 | 164.4° | 179.2° |
| C27 | C23 | C24 | C25 | 47.1° | 57.6° |
| C23 | C27 | C26 | N5 | 63.1° | 59.2° |
| C23 | C27 | C26 | H271 | 119.8° | 119.9° |
| C23 | C27 | C26 | H272 | 119.7° | 120.0° |
| C27 | C23 | N4 | HA | 77.2° | 94.8° |
| C27 | C23 | C24 | H241 | 167.8° | 177.6° |
| C27 | C23 | C24 | H242 | 73.6° | 62.3° |
| C23 | C27 | H271 | H272 | 120.8° | 120.1° |
| C23 | C27 | C26 | H261 | 57.5° | 60.9° |
| C23 | C27 | C26 | H262 | 176.3° | 179.2° |
| C24 | C25 | N5 | H251 | 120.7° | 120.0° |
| C24 | C25 | N5 | H252 | 120.7° | 120.0° |
| C24 | C25 | N5 | C29 | 168.3° | 174.1° |
| C24 | C25 | N5 | C26 | 48.5° | 61.7° |
| C25 | C24 | C23 | H23 | 72.7° | 62.3° |
| C25 | C24 | H241 | H242 | 117.9° | 120.1° |
| C24 | C25 | H251 | H252 | 117.8° | 119.9° |
| C25 | N5 | C29 | C26 | 121.2° | 124.2° |
| C25 | N5 | C29 | C30 | 176.9° | 170.0° |
| C25 | N5 | C26 | C27 | 59.6° | 61.7° |
| N5 | C25 | C24 | H241 | 164.4° | 179.1° |
| N5 | C25 | C24 | H242 | 77.0° | 60.7° |
| N5 | C25 | H251 | H252 | 117.8° | 120.0° |
| C25 | N5 | C29 | H291 | 62.2° | 70.0° |
| C25 | N5 | C29 | H292 | 56.0° | 49.9° |
| C25 | N5 | C26 | H261 | 61.0° | 58.3° |
| C25 | N5 | C26 | H262 | 179.8° | 178.3° |
| N5 | C29 | C30 | H291 | 120.9° | 120.0° |
| N5 | C29 | C30 | H292 | 120.9° | 120.1° |
| C29 | N5 | C26 | C27 | 179.8° | 174.1° |
| C29 | N5 | C25 | H251 | 47.6° | 65.8° |
| C29 | N5 | C25 | H252 | 71.0° | 54.1° |
| N5 | C29 | H291 | H292 | 117.0° | 120.0° |
| C29 | N5 | C26 | H261 | 59.6° | 65.8° |
| C29 | N5 | C26 | H262 | 59.2° | 54.1° |
| N5 | C29 | C30 | H301 | 180.0° | 60.0° |
| N5 | C29 | C30 | H302 | 60.0° | 179.9° |
| N5 | C29 | C30 | H303 | 60.0° | 60.0° |
| C26 | N5 | C29 | C30 | 61.9° | 65.8° |
| N5 | C26 | C27 | H261 | 120.6° | 120.0° |
| N5 | C26 | C27 | H262 | 120.6° | 120.0° |
| N5 | C26 | C27 | H271 | 56.6° | 60.7° |
| N5 | C26 | C27 | H272 | 177.1° | 179.1° |
| C26 | N5 | C25 | H251 | 72.2° | 58.3° |
| C26 | N5 | C25 | H252 | 169.2° | 178.3° |
| C26 | N5 | C29 | H291 | 59.0° | 54.2° |
| C26 | N5 | C29 | H292 | 177.2° | 174.2° |
| N5 | C26 | H261 | H262 | 118.2° | 120.0° |
| C30 | C29 | H291 | H292 | 117.1° | 119.9° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 119.9° | 120.0° |
| C26 | C27 | C23 | H23 | 65.0° | 62.3° |
| C26 | C27 | H271 | H272 | 120.7° | 120.2° |
| C27 | C26 | H261 | H262 | 118.1° | 119.9° |
| C10 | C2 | C1 | C3 | 175.6° | 180.0° |
| C10 | C2 | C1 | C12 | 98.1° | 115.0° |
| C10 | C2 | C1 | C16 | 81.7° | 65.2° |
| C10 | C2 | C3 | N2 | 178.2° | 0.0° |
| C10 | C2 | C3 | N3 | 1.1° | 179.7° |
| C2 | C1 | C12 | C16 | 179.8° | 179.8° |
| C2 | C1 | C12 | C13 | 178.7° | 180.0° |
| C2 | C1 | C16 | C15 | 178.2° | 179.7° |
| C1 | C2 | C3 | N2 | 2.5° | 180.0° |
| C1 | C2 | C3 | N3 | 174.5° | 0.3° |
| C2 | C1 | C12 | H12 | 1.3° | 0.0° |
| C2 | C1 | C16 | H16 | 1.8° | 0.0° |
| C3 | C2 | C1 | C12 | 77.6° | 65.0° |
| C3 | C2 | C1 | C16 | 102.6° | 114.7° |
| C2 | C3 | N2 | N3 | 177.5° | 179.7° |
| C2 | C3 | N2 | C17 | 178.5° | 180.0° |
| C2 | C3 | N3 | C18 | 178.2° | 179.9° |
| C2 | C3 | N3 | H3 | 1.8° | 0.0° |
| C1 | C12 | C13 | H12 | 180.0° | 180.0° |
| C1 | C12 | C13 | C14 | 0.4° | 0.1° |
| C12 | C1 | C16 | C15 | 1.5° | 0.6° |
| C12 | C1 | C16 | H16 | 178.5° | 179.7° |
| C1 | C12 | C13 | H13 | 179.6° | 180.0° |
| C16 | C1 | C12 | C13 | 1.1° | 0.2° |
| C1 | C16 | C15 | C14 | 1.4° | 0.6° |
| C1 | C16 | C15 | H16 | 180.0° | 179.7° |
| C16 | C1 | C12 | H12 | 178.9° | 179.7° |
| C1 | C16 | C15 | H15 | 178.6° | 179.6° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.8° | 0.3° |
| C14 | C13 | C12 | H12 | 179.6° | 179.9° |
| C13 | C14 | C15 | H15 | 179.2° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 178.6° | 179.7° |
| C15 | C14 | C13 | H13 | 179.7° | 179.9° |
| C16 | C15 | C14 | H14 | 179.3° | 179.7° |
| C3 | N2 | C17 | C19 | 179.8° | 180.0° |
| C3 | N2 | C17 | C18 | 0.6° | 0.0° |
| N2 | C3 | N3 | C18 | 1.0° | 0.4° |
| N2 | C3 | N3 | H3 | 179.0° | 179.7° |
| N3 | C3 | N2 | C17 | 1.1° | 0.3° |
| C3 | N3 | C18 | C17 | 0.6° | 0.3° |
| C3 | N3 | C18 | H3 | 180.0° | 179.9° |
| C3 | N3 | C18 | C22 | 179.7° | 179.8° |
| N2 | C17 | C19 | C18 | 179.1° | 180.0° |
| N2 | C17 | C19 | C20 | 179.4° | 180.0° |
| N2 | C17 | C18 | N3 | 0.0° | 0.2° |
| N2 | C17 | C18 | C22 | 179.7° | 180.0° |
| N2 | C17 | C19 | H19 | 0.6° | 0.0° |
| C17 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C17 | C18 | N3 | 179.4° | 179.8° |
| C19 | C17 | C18 | C22 | 0.4° | 0.1° |
| C17 | C19 | C20 | C21 | 2.1° | 0.1° |
| C17 | C19 | C20 | O2 | 178.6° | 180.0° |
| C18 | C17 | C19 | C20 | 1.5° | 0.0° |
| C17 | C18 | N3 | C22 | 179.7° | 179.8° |
| C17 | C18 | C22 | C21 | 0.3° | 0.1° |
| C17 | C18 | N3 | H3 | 179.4° | 179.8° |
| C18 | C17 | C19 | H19 | 178.5° | 180.0° |
| C17 | C18 | C22 | H22 | 179.7° | 180.0° |
| C19 | C20 | C21 | C22 | 1.5° | 0.1° |
| C19 | C20 | C21 | O2 | 176.5° | 179.9° |
| C19 | C20 | O2 | C28 | 78.0° | 180.0° |
| C19 | C20 | C21 | H21 | 178.5° | 179.9° |
| N3 | C18 | C22 | C21 | 180.0° | 179.7° |
| N3 | C18 | C22 | H22 | 0.0° | 0.2° |
| C18 | C22 | C21 | H22 | 180.0° | 179.9° |
| C18 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C18 | N3 | H3 | 0.3° | 0.1° |
| C18 | C22 | C21 | H21 | 179.7° | 180.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | O2 | 177.9° | 180.0° |
| C21 | C20 | O2 | C28 | 98.7° | 0.1° |
| C21 | C20 | C19 | H19 | 177.9° | 179.9° |
| C20 | C21 | C22 | H22 | 179.8° | 179.9° |
| O2 | C20 | C19 | H19 | 1.4° | 0.0° |
| O2 | C20 | C21 | H21 | 2.0° | 0.0° |
| C20 | O2 | C28 | H281 | 180.0° | 60.0° |
| C20 | O2 | C28 | H282 | 60.0° | 60.1° |
| C20 | O2 | C28 | H283 | 60.0° | 180.0° |
| O2 | C28 | H281 | H282 | 120.0° | 120.1° |
| O2 | C28 | H281 | H283 | 120.0° | 120.0° |
| O2 | C28 | H282 | H283 | 120.0° | 120.0° |
| H9 | C9 | C4 | H4 | 0.0° | 0.0° |
| HA | N4 | C23 | H23 | 163.4° | 145.1° |
| H23 | C23 | C24 | H241 | 48.0° | 57.6° |
| H23 | C23 | C24 | H242 | 166.6° | 177.8° |
| H23 | C23 | C27 | H271 | 175.2° | 177.8° |
| H23 | C23 | C27 | H272 | 54.7° | 57.7° |
| H241 | C24 | C25 | H251 | 43.7° | 59.1° |
| H241 | C24 | C25 | H252 | 74.9° | 60.8° |
| H242 | C24 | C25 | H251 | 162.3° | 179.2° |
| H242 | C24 | C25 | H252 | 43.7° | 59.3° |
| H271 | C27 | C26 | H261 | 177.2° | 179.3° |
| H271 | C27 | C26 | H262 | 64.0° | 59.3° |
| H272 | C27 | C26 | H261 | 62.3° | 59.1° |
| H272 | C27 | C26 | H262 | 56.5° | 60.8° |
| H291 | C29 | C30 | H301 | 59.1° | 60.1° |
| H291 | C29 | C30 | H302 | 179.1° | 59.9° |
| H291 | C29 | C30 | H303 | 61.0° | 179.9° |
| H292 | C29 | C30 | H301 | 59.1° | 179.9° |
| H292 | C29 | C30 | H302 | 60.9° | 60.0° |
| H292 | C29 | C30 | H303 | 179.1° | 60.0° |
| H301 | C30 | H302 | H303 | 120.1° | 120.1° |
| H12 | C12 | C13 | H13 | 0.4° | 0.1° |
| H16 | C16 | C15 | H15 | 1.4° | 0.1° |
| H13 | C13 | C14 | H14 | 0.3° | 0.1° |
| H14 | C14 | C15 | H15 | 0.7° | 0.1° |
| H22 | C22 | C21 | H21 | 0.3° | 0.1° |
| H281 | C28 | H282 | H283 | 120.0° | 119.9° |
