AM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C30 | sing | 1.51Å | 1.53Å | |
| C34 | N2 | sing | 1.46Å | 1.50Å | |
| C30 | C13 | sing | 1.51Å | 1.53Å | |
| N2 | C13 | sing | 1.35Å | 1.42Å | |
| N2 | C12 | sing | 1.35Å | 1.42Å | |
| C13 | N3 | doub | 1.31Å | 1.35Å | |
| O5 | C12 | doub | 1.22Å | 1.24Å | |
| N3 | C14 | sing | 1.33Å | 1.33Å | |
| C12 | C11 | sing | 1.42Å | 1.41Å | |
| C14 | C11 | doub | 1.38Å | 1.39Å | |
| C11 | C18 | sing | 1.48Å | 1.41Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | F1 | sing | 1.35Å | 1.34Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C29 | sing | 1.36Å | 1.38Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | N4 | doub | 1.31Å | 1.33Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.42Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.36Å | 1.40Å | Aromatic |
| C35 | O2 | sing | 1.43Å | 1.44Å | |
| N4 | C26 | sing | 1.34Å | 1.33Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | O2 | sing | 1.36Å | 1.38Å | |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.37Å | 1.39Å | Aromatic |
| C24 | O3 | sing | 1.36Å | 1.36Å | |
| O3 | C31 | sing | 1.43Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | N1 | sing | 1.47Å | 1.48Å | |
| C1 | N1 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| C2 | O1 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | C7 | 119.5° | 120.0° |
| C9 | C8 | H8 | 120.2° | 120.0° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | C5 | 120.0° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C8 | C7 | C6 | 120.5° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | H8 | 120.3° | 120.0° |
| C10 | C5 | C6 | 120.2° | 120.0° |
| C10 | C5 | C30 | 118.9° | 120.0° |
| C5 | C10 | H10 | 120.0° | 120.0° |
| C7 | C6 | C5 | 119.5° | 120.0° |
| C7 | C6 | H6 | 120.3° | 120.0° |
| C6 | C7 | H7 | 119.8° | 120.0° |
| C6 | C5 | C30 | 120.9° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C5 | C30 | C13 | 113.6° | 109.5° |
| C5 | C30 | H301 | 108.1° | 109.5° |
| C5 | C30 | H302 | 107.2° | 109.4° |
| C34 | N2 | C13 | 121.9° | 120.0° |
| C34 | N2 | C12 | 119.7° | 119.9° |
| N2 | C34 | H341 | 109.5° | 109.4° |
| N2 | C34 | H342 | 109.5° | 109.5° |
| N2 | C34 | H343 | 109.5° | 109.5° |
| C30 | C13 | N2 | 121.7° | 119.0° |
| C30 | C13 | N3 | 118.2° | 119.0° |
| C13 | C30 | H301 | 108.1° | 109.5° |
| C13 | C30 | H302 | 107.1° | 109.5° |
| C13 | N2 | C12 | 118.3° | 120.1° |
| N2 | C13 | N3 | 120.1° | 122.0° |
| N2 | C12 | O5 | 119.1° | 120.8° |
| N2 | C12 | C11 | 119.2° | 118.4° |
| C13 | N3 | C14 | 122.2° | 121.6° |
| O5 | C12 | C11 | 121.7° | 120.8° |
| N3 | C14 | C11 | 121.7° | 119.6° |
| N3 | C14 | H14 | 119.1° | 120.2° |
| C12 | C11 | C14 | 118.6° | 118.3° |
| C12 | C11 | C18 | 121.7° | 120.9° |
| C14 | C11 | C18 | 119.7° | 120.8° |
| C11 | C14 | H14 | 119.2° | 120.2° |
| C11 | C18 | C17 | 120.8° | 120.1° |
| C11 | C18 | C19 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.0° | 119.9° |
| C18 | C17 | C16 | 119.2° | 119.9° |
| C18 | C17 | H17 | 120.4° | 120.1° |
| C18 | C19 | C20 | 121.9° | 120.0° |
| C18 | C19 | H19 | 119.1° | 120.0° |
| C17 | C16 | F1 | 118.7° | 120.0° |
| C17 | C16 | C15 | 122.1° | 120.1° |
| C16 | C17 | H17 | 120.4° | 120.0° |
| C19 | C20 | C15 | 118.5° | 120.1° |
| C19 | C20 | H20 | 120.7° | 120.0° |
| C20 | C19 | H19 | 119.1° | 120.0° |
| F1 | C16 | C15 | 119.2° | 120.0° |
| C16 | C15 | C20 | 119.4° | 120.1° |
| C16 | C15 | O4 | 118.8° | 119.9° |
| C20 | C15 | O4 | 121.8° | 119.9° |
| C15 | C20 | H20 | 120.7° | 119.9° |
| C15 | O4 | C29 | 124.7° | 118.0° |
| O4 | C29 | C28 | 123.0° | 121.0° |
| O4 | C29 | C21 | 119.9° | 121.0° |
| C29 | C28 | C27 | 120.0° | 119.7° |
| C28 | C29 | C21 | 117.1° | 118.0° |
| C29 | C28 | H28 | 120.0° | 120.1° |
| C28 | C27 | N4 | 121.1° | 121.8° |
| C27 | C28 | H28 | 120.0° | 120.2° |
| C28 | C27 | H27 | 119.4° | 119.0° |
| C29 | C21 | C22 | 120.4° | 121.3° |
| C29 | C21 | C26 | 120.1° | 118.9° |
| C27 | N4 | C26 | 120.8° | 121.7° |
| N4 | C27 | H27 | 119.5° | 119.1° |
| C22 | C21 | C26 | 119.5° | 119.8° |
| C21 | C22 | C23 | 120.2° | 119.7° |
| C21 | C22 | H22 | 119.9° | 120.1° |
| C21 | C26 | N4 | 120.8° | 119.9° |
| C21 | C26 | C25 | 120.6° | 119.2° |
| C22 | C23 | O2 | 122.2° | 119.7° |
| C22 | C23 | C24 | 119.5° | 120.6° |
| C23 | C22 | H22 | 119.9° | 120.2° |
| C35 | O2 | C23 | 118.5° | 117.0° |
| O2 | C35 | H351 | 109.5° | 109.5° |
| O2 | C35 | H352 | 109.5° | 109.5° |
| O2 | C35 | H353 | 109.4° | 109.4° |
| N4 | C26 | C25 | 118.6° | 120.9° |
| C26 | C25 | C24 | 119.8° | 119.8° |
| C26 | C25 | H25 | 120.1° | 120.1° |
| O2 | C23 | C24 | 118.3° | 119.7° |
| C23 | C24 | C25 | 120.5° | 120.9° |
| C23 | C24 | O3 | 116.8° | 119.6° |
| C25 | C24 | O3 | 122.7° | 119.6° |
| C24 | C25 | H25 | 120.1° | 120.1° |
| C24 | O3 | C31 | 121.4° | 117.0° |
| O3 | C31 | C32 | 108.9° | 109.5° |
| O3 | C31 | H311 | 109.7° | 109.4° |
| O3 | C31 | H312 | 109.8° | 109.4° |
| C31 | C32 | C33 | 113.7° | 109.4° |
| C31 | C32 | H321 | 108.1° | 109.5° |
| C31 | C32 | H322 | 107.1° | 109.6° |
| C32 | C31 | H311 | 109.7° | 109.4° |
| C32 | C31 | H312 | 109.8° | 109.6° |
| C32 | C33 | N1 | 109.4° | 109.4° |
| C32 | C33 | H331 | 109.5° | 109.5° |
| C32 | C33 | H332 | 109.6° | 109.5° |
| C33 | C32 | H321 | 108.1° | 109.5° |
| C33 | C32 | H322 | 107.1° | 109.5° |
| C33 | N1 | C1 | 108.2° | 111.0° |
| C33 | N1 | C4 | 107.6° | 111.0° |
| N1 | C33 | H331 | 109.5° | 109.5° |
| N1 | C33 | H332 | 109.5° | 109.5° |
| N1 | C1 | C2 | 115.3° | 109.2° |
| C1 | N1 | C4 | 118.2° | 110.8° |
| N1 | C1 | H11 | 107.6° | 109.5° |
| N1 | C1 | H12 | 106.2° | 109.5° |
| C1 | C2 | O1 | 113.6° | 109.3° |
| C2 | C1 | H11 | 107.6° | 109.5° |
| C2 | C1 | H12 | 106.3° | 109.5° |
| C1 | C2 | H21 | 108.1° | 109.5° |
| C1 | C2 | H22A | 107.2° | 109.5° |
| N1 | C4 | C3 | 112.2° | 109.2° |
| N1 | C4 | H41 | 108.6° | 109.5° |
| N1 | C4 | H42 | 108.0° | 109.5° |
| C2 | O1 | C3 | 108.7° | 113.7° |
| O1 | C2 | H21 | 108.1° | 109.5° |
| O1 | C2 | H22A | 107.2° | 109.5° |
| C4 | C3 | O1 | 105.7° | 109.3° |
| C3 | C4 | H41 | 108.6° | 109.5° |
| C3 | C4 | H42 | 108.0° | 109.5° |
| C4 | C3 | H31 | 110.7° | 109.5° |
| C4 | C3 | H32 | 111.6° | 109.5° |
| O1 | C3 | H31 | 110.8° | 109.4° |
| O1 | C3 | H32 | 111.5° | 109.5° |
| H41 | C4 | H42 | 111.6° | 109.6° |
| H11 | C1 | H12 | 114.1° | 109.6° |
| H21 | C2 | H22A | 112.8° | 109.6° |
| H31 | C3 | H32 | 106.6° | 109.6° |
| H331 | C33 | H332 | 109.3° | 109.5° |
| H321 | C32 | H322 | 112.9° | 109.5° |
| H311 | C31 | H312 | 109.0° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.4° | 109.4° |
| H341 | C34 | H343 | 109.4° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H301 | C30 | H302 | 112.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.8° | 0.6° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.2° | 180.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.3° |
| C9 | C10 | C5 | H10 | 180.0° | 179.4° |
| C9 | C10 | C5 | C6 | 0.4° | 0.6° |
| C9 | C10 | C5 | C30 | 180.0° | 179.6° |
| C10 | C9 | C8 | H8 | 179.4° | 179.7° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C8 | C7 | C6 | H6 | 179.6° | 179.9° |
| C7 | C8 | C9 | H9 | 179.4° | 180.0° |
| C10 | C5 | C6 | C7 | 0.2° | 0.3° |
| C10 | C5 | C6 | C30 | 179.6° | 179.8° |
| C10 | C5 | C30 | C13 | 132.4° | 90.3° |
| C10 | C5 | C6 | H6 | 179.8° | 179.8° |
| C10 | C5 | C30 | H301 | 107.6° | 29.8° |
| C10 | C5 | C30 | H302 | 14.3° | 149.8° |
| C5 | C10 | C9 | H9 | 179.2° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C30 | 179.4° | 179.9° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C5 | C30 | C13 | 48.0° | 90.0° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C6 | C5 | C10 | H10 | 179.6° | 180.0° |
| C6 | C5 | C30 | H301 | 72.0° | 150.0° |
| C6 | C5 | C30 | H302 | 166.1° | 30.0° |
| C5 | C30 | C13 | H301 | 120.0° | 120.0° |
| C5 | C30 | C13 | H302 | 118.2° | 119.9° |
| C5 | C30 | C13 | N2 | 84.3° | 179.9° |
| C5 | C30 | C13 | N3 | 96.9° | 0.0° |
| C30 | C5 | C6 | H6 | 0.5° | 0.0° |
| C30 | C5 | C10 | H10 | 0.0° | 0.2° |
| C5 | C30 | H301 | H302 | 118.3° | 119.9° |
| C34 | N2 | C13 | C30 | 1.3° | 0.0° |
| C34 | N2 | C13 | C12 | 179.3° | 179.9° |
| C34 | N2 | C13 | N3 | 179.9° | 180.0° |
| C34 | N2 | C12 | O5 | 0.0° | 0.0° |
| C34 | N2 | C12 | C11 | 179.6° | 180.0° |
| N2 | C34 | H341 | H342 | 120.0° | 120.0° |
| N2 | C34 | H341 | H343 | 120.0° | 120.0° |
| N2 | C34 | H342 | H343 | 120.0° | 120.1° |
| C30 | C13 | N2 | N3 | 178.9° | 180.0° |
| C30 | C13 | N2 | C12 | 179.4° | 180.0° |
| C30 | C13 | N3 | C14 | 179.3° | 180.0° |
| C13 | C30 | H301 | H302 | 118.3° | 120.0° |
| C13 | N2 | C12 | O5 | 179.4° | 179.9° |
| N2 | C13 | N3 | C14 | 0.4° | 0.0° |
| C13 | N2 | C12 | C11 | 0.3° | 0.0° |
| C13 | N2 | C34 | H341 | 29.4° | 90.0° |
| C13 | N2 | C34 | H342 | 90.6° | 150.0° |
| C13 | N2 | C34 | H343 | 149.3° | 29.9° |
| N2 | C13 | C30 | H301 | 155.8° | 60.0° |
| N2 | C13 | C30 | H302 | 33.9° | 60.0° |
| C12 | N2 | C13 | N3 | 0.6° | 0.0° |
| N2 | C12 | O5 | C11 | 179.7° | 180.0° |
| N2 | C12 | C11 | C14 | 0.1° | 0.0° |
| N2 | C12 | C11 | C18 | 179.2° | 180.0° |
| C12 | N2 | C34 | H341 | 151.3° | 90.0° |
| C12 | N2 | C34 | H342 | 88.7° | 29.9° |
| C12 | N2 | C34 | H343 | 31.4° | 150.0° |
| C13 | N3 | C14 | C11 | 0.1° | 0.1° |
| C13 | N3 | C14 | H14 | 179.9° | 180.0° |
| N3 | C13 | C30 | H301 | 23.1° | 120.0° |
| N3 | C13 | C30 | H302 | 145.0° | 120.0° |
| O5 | C12 | C11 | C14 | 179.8° | 180.0° |
| O5 | C12 | C11 | C18 | 1.1° | 0.0° |
| N3 | C14 | C11 | C12 | 0.4° | 0.1° |
| N3 | C14 | C11 | H14 | 180.0° | 180.0° |
| N3 | C14 | C11 | C18 | 179.5° | 179.9° |
| C12 | C11 | C14 | C18 | 179.1° | 180.0° |
| C12 | C11 | C18 | C17 | 40.9° | 115.0° |
| C12 | C11 | C18 | C19 | 137.8° | 65.1° |
| C12 | C11 | C14 | H14 | 179.6° | 180.0° |
| C14 | C11 | C18 | C17 | 140.0° | 65.0° |
| C14 | C11 | C18 | C19 | 41.3° | 114.9° |
| C11 | C18 | C17 | C19 | 178.7° | 179.9° |
| C11 | C18 | C17 | C16 | 179.1° | 179.9° |
| C11 | C18 | C19 | C20 | 179.3° | 179.9° |
| C11 | C18 | C17 | H17 | 0.9° | 0.1° |
| C11 | C18 | C19 | H19 | 0.7° | 0.2° |
| C18 | C11 | C14 | H14 | 0.6° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.2° |
| C18 | C17 | C16 | F1 | 179.3° | 179.9° |
| C18 | C17 | C16 | C15 | 0.7° | 0.0° |
| C17 | C18 | C19 | H19 | 179.5° | 179.7° |
| C19 | C18 | C17 | C16 | 0.4° | 0.2° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 0.4° | 0.0° |
| C19 | C18 | C17 | H17 | 179.7° | 179.8° |
| C18 | C19 | C20 | H20 | 179.6° | 180.0° |
| C17 | C16 | F1 | C15 | 178.7° | 180.0° |
| C17 | C16 | C15 | C20 | 1.6° | 0.2° |
| C17 | C16 | C15 | O4 | 179.2° | 180.0° |
| C19 | C20 | C15 | C16 | 1.4° | 0.2° |
| C19 | C20 | C15 | H20 | 180.0° | 179.9° |
| C19 | C20 | C15 | O4 | 178.9° | 180.0° |
| F1 | C16 | C15 | C20 | 179.8° | 179.8° |
| F1 | C16 | C15 | O4 | 2.2° | 0.0° |
| F1 | C16 | C17 | H17 | 0.7° | 0.0° |
| C16 | C15 | C20 | O4 | 177.5° | 179.8° |
| C16 | C15 | O4 | C29 | 104.5° | 81.1° |
| C15 | C16 | C17 | H17 | 179.3° | 180.0° |
| C16 | C15 | C20 | H20 | 178.6° | 179.8° |
| C20 | C15 | O4 | C29 | 77.9° | 99.1° |
| C15 | C20 | C19 | H19 | 179.6° | 179.9° |
| C15 | O4 | C29 | C28 | 8.3° | 5.5° |
| C15 | O4 | C29 | C21 | 171.8° | 174.9° |
| O4 | C15 | C20 | H20 | 1.1° | 0.0° |
| O4 | C29 | C28 | C21 | 179.8° | 179.6° |
| O4 | C29 | C28 | C27 | 179.8° | 180.0° |
| O4 | C29 | C21 | C22 | 0.9° | 0.2° |
| O4 | C29 | C21 | C26 | 179.6° | 180.0° |
| O4 | C29 | C28 | H28 | 0.2° | 0.4° |
| C29 | C28 | C27 | H28 | 180.0° | 179.6° |
| C29 | C28 | C27 | N4 | 0.4° | 0.2° |
| C28 | C29 | C21 | C22 | 179.2° | 179.8° |
| C28 | C29 | C21 | C26 | 0.5° | 0.4° |
| C29 | C28 | C27 | H27 | 179.7° | 180.0° |
| C27 | C28 | C29 | C21 | 0.3° | 0.4° |
| C28 | C27 | N4 | H27 | 180.0° | 179.7° |
| C28 | C27 | N4 | C26 | 0.8° | 0.0° |
| C29 | C21 | C22 | C26 | 178.7° | 179.7° |
| C29 | C21 | C22 | C23 | 179.8° | 179.7° |
| C29 | C21 | C26 | N4 | 0.1° | 0.2° |
| C29 | C21 | C26 | C25 | 180.0° | 179.8° |
| C29 | C21 | C22 | H22 | 0.2° | 0.3° |
| C21 | C29 | C28 | H28 | 179.7° | 180.0° |
| C27 | N4 | C26 | C21 | 0.6° | 0.0° |
| C27 | N4 | C26 | C25 | 179.4° | 180.0° |
| N4 | C27 | C28 | H28 | 179.7° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C22 | C21 | C26 | N4 | 178.8° | 180.0° |
| C22 | C21 | C26 | C25 | 1.3° | 0.0° |
| C21 | C22 | C23 | O2 | 179.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.1° |
| C26 | C21 | C22 | C23 | 1.1° | 0.0° |
| C21 | C26 | N4 | C25 | 179.9° | 180.0° |
| C21 | C26 | C25 | C24 | 1.1° | 0.1° |
| C26 | C21 | C22 | H22 | 178.9° | 180.0° |
| C21 | C26 | C25 | H25 | 178.9° | 180.0° |
| C22 | C23 | O2 | C35 | 41.0° | 0.0° |
| C22 | C23 | O2 | C24 | 178.9° | 179.9° |
| C22 | C23 | C24 | C25 | 0.7° | 0.1° |
| C22 | C23 | C24 | O3 | 179.2° | 180.0° |
| C35 | O2 | C23 | C24 | 140.1° | 179.9° |
| O2 | C35 | H351 | H352 | 120.0° | 120.0° |
| O2 | C35 | H351 | H353 | 120.0° | 120.0° |
| O2 | C35 | H352 | H353 | 120.0° | 119.9° |
| N4 | C26 | C25 | C24 | 179.0° | 180.0° |
| N4 | C26 | C25 | H25 | 1.0° | 0.0° |
| C26 | N4 | C27 | H27 | 179.2° | 179.7° |
| C26 | C25 | C24 | C23 | 0.8° | 0.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | O3 | 179.3° | 179.9° |
| O2 | C23 | C24 | C25 | 179.6° | 180.0° |
| O2 | C23 | C24 | O3 | 1.9° | 0.1° |
| O2 | C23 | C22 | H22 | 0.3° | 0.0° |
| C23 | O2 | C35 | H351 | 69.7° | 179.9° |
| C23 | O2 | C35 | H352 | 50.3° | 60.0° |
| C23 | O2 | C35 | H353 | 170.4° | 60.0° |
| C23 | C24 | C25 | O3 | 178.4° | 179.9° |
| C23 | C24 | O3 | C31 | 172.0° | 179.9° |
| C24 | C23 | C22 | H22 | 179.1° | 179.9° |
| C23 | C24 | C25 | H25 | 179.2° | 180.0° |
| C25 | C24 | O3 | C31 | 9.5° | 0.0° |
| C24 | O3 | C31 | C32 | 166.5° | 180.0° |
| C24 | O3 | C31 | H311 | 46.5° | 60.0° |
| C24 | O3 | C31 | H312 | 73.3° | 60.0° |
| O3 | C24 | C25 | H25 | 0.7° | 0.0° |
| O3 | C31 | C32 | H311 | 120.0° | 119.9° |
| O3 | C31 | C32 | H312 | 120.2° | 120.0° |
| O3 | C31 | C32 | C33 | 65.5° | 180.0° |
| O3 | C31 | C32 | H321 | 54.4° | 60.1° |
| O3 | C31 | C32 | H322 | 176.3° | 60.0° |
| O3 | C31 | H311 | H312 | 120.2° | 120.0° |
| C31 | C32 | C33 | H321 | 120.0° | 119.9° |
| C31 | C32 | C33 | H322 | 118.1° | 120.1° |
| C31 | C32 | C33 | N1 | 178.5° | 180.0° |
| C31 | C32 | C33 | H331 | 61.5° | 60.1° |
| C31 | C32 | C33 | H332 | 58.4° | 60.0° |
| C31 | C32 | H321 | H322 | 118.3° | 120.1° |
| C32 | C31 | H311 | H312 | 120.2° | 120.1° |
| C32 | C33 | N1 | H331 | 120.0° | 119.9° |
| C32 | C33 | N1 | H332 | 120.1° | 120.0° |
| C32 | C33 | N1 | C1 | 114.9° | 66.3° |
| C32 | C33 | N1 | C4 | 116.3° | 170.0° |
| C32 | C33 | H331 | H332 | 120.1° | 120.0° |
| C33 | C32 | H321 | H322 | 118.3° | 120.0° |
| C33 | C32 | C31 | H311 | 174.5° | 60.1° |
| C33 | C32 | C31 | H312 | 54.7° | 60.0° |
| C33 | N1 | C1 | C4 | 122.5° | 123.8° |
| C33 | N1 | C1 | C2 | 136.3° | 177.6° |
| C33 | N1 | C4 | C3 | 153.2° | 177.6° |
| C33 | N1 | C4 | H41 | 86.8° | 57.7° |
| C33 | N1 | C4 | H42 | 34.3° | 62.5° |
| C33 | N1 | C1 | H11 | 16.3° | 62.5° |
| C33 | N1 | C1 | H12 | 106.3° | 57.7° |
| N1 | C33 | H331 | H332 | 120.0° | 120.0° |
| N1 | C33 | C32 | H321 | 58.5° | 60.1° |
| N1 | C33 | C32 | H322 | 63.4° | 59.9° |
| N1 | C1 | C2 | H11 | 120.0° | 120.0° |
| N1 | C1 | C2 | H12 | 117.4° | 119.9° |
| N1 | C1 | C2 | O1 | 26.7° | 56.9° |
| C1 | N1 | C4 | C3 | 30.4° | 58.6° |
| C1 | N1 | C4 | H41 | 150.4° | 178.6° |
| C1 | N1 | C4 | H42 | 88.5° | 61.3° |
| N1 | C1 | H11 | H12 | 117.6° | 120.1° |
| N1 | C1 | C2 | H21 | 146.6° | 176.8° |
| N1 | C1 | C2 | H22A | 91.5° | 63.1° |
| C1 | N1 | C33 | H331 | 125.1° | 53.6° |
| C1 | N1 | C33 | H332 | 5.2° | 173.6° |
| C2 | C1 | N1 | C4 | 13.8° | 58.6° |
| C1 | C2 | O1 | H21 | 120.0° | 119.9° |
| C1 | C2 | O1 | H22A | 118.2° | 120.0° |
| C1 | C2 | O1 | C3 | 58.6° | 58.6° |
| C2 | C1 | H11 | H12 | 117.6° | 120.1° |
| C1 | C2 | H21 | H22A | 118.3° | 120.1° |
| N1 | C4 | C3 | H41 | 120.0° | 120.0° |
| N1 | C4 | C3 | H42 | 118.9° | 119.9° |
| N1 | C4 | C3 | O1 | 59.9° | 56.8° |
| N1 | C4 | H41 | H42 | 118.9° | 120.1° |
| C4 | N1 | C1 | H11 | 106.2° | 61.3° |
| C4 | N1 | C1 | H12 | 131.2° | 178.5° |
| N1 | C4 | C3 | H31 | 60.1° | 63.1° |
| N1 | C4 | C3 | H32 | 178.7° | 176.8° |
| C4 | N1 | C33 | H331 | 3.7° | 70.1° |
| C4 | N1 | C33 | H332 | 123.6° | 50.0° |
| C2 | O1 | C3 | C4 | 74.7° | 58.6° |
| O1 | C2 | C1 | H11 | 93.4° | 63.1° |
| O1 | C2 | C1 | H12 | 144.0° | 176.8° |
| O1 | C2 | H21 | H22A | 118.3° | 120.1° |
| C2 | O1 | C3 | H31 | 45.3° | 61.3° |
| C2 | O1 | C3 | H32 | 163.9° | 178.6° |
| C4 | C3 | O1 | H31 | 120.0° | 119.9° |
| C4 | C3 | O1 | H32 | 121.4° | 120.0° |
| C3 | C4 | H41 | H42 | 118.9° | 120.1° |
| C4 | C3 | H31 | H32 | 121.6° | 120.1° |
| O1 | C3 | C4 | H41 | 179.9° | 176.8° |
| O1 | C3 | C4 | H42 | 59.0° | 63.1° |
| C3 | O1 | C2 | H21 | 178.6° | 178.5° |
| C3 | O1 | C2 | H22A | 59.6° | 61.3° |
| O1 | C3 | H31 | H32 | 121.5° | 120.1° |
| H41 | C4 | C3 | H31 | 59.9° | 56.9° |
| H41 | C4 | C3 | H32 | 58.7° | 63.3° |
| H42 | C4 | C3 | H31 | 179.0° | 177.0° |
| H42 | C4 | C3 | H32 | 62.4° | 56.9° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| H7 | C7 | C8 | H8 | 0.0° | 0.0° |
| H8 | C8 | C9 | H9 | 0.6° | 0.0° |
| H10 | C10 | C9 | H9 | 0.8° | 0.3° |
| H20 | C20 | C19 | H19 | 0.4° | 0.0° |
| H28 | C28 | C27 | H27 | 0.3° | 0.5° |
| H11 | C1 | C2 | H21 | 26.6° | 56.8° |
| H11 | C1 | C2 | H22A | 148.5° | 177.0° |
| H12 | C1 | C2 | H21 | 96.0° | 63.3° |
| H12 | C1 | C2 | H22A | 25.9° | 56.8° |
| H331 | C33 | C32 | H321 | 178.5° | NaN° |
| H331 | C33 | C32 | H322 | 56.7° | 60.0° |
| H332 | C33 | C32 | H321 | 61.5° | 60.0° |
| H332 | C33 | C32 | H322 | 176.6° | 179.9° |
| H321 | C32 | C31 | H311 | 65.6° | 180.0° |
| H321 | C32 | C31 | H312 | 174.7° | 60.0° |
| H322 | C32 | C31 | H311 | 56.3° | 59.9° |
| H322 | C32 | C31 | H312 | 63.4° | 180.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H341 | C34 | H342 | H343 | 119.9° | 120.0° |
