RX3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C24 | sing | 1.35Å | 1.25Å | |
| OXT | HOXT | sing | 0.98Å | 0.95Å | |
| C24 | O6 | doub | 1.23Å | 1.25Å | |
| C24 | C23 | sing | 1.52Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | N2 | sing | 1.45Å | 1.46Å | |
| C23 | H23 | sing | 1.10Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C26 | C27 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C30 | doub | 1.41Å | 1.40Å | Aromatic |
| C30 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.08Å | |
| C33 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C31 | C29 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | N3 | sing | 1.38Å | 1.36Å | Aromatic |
| N3 | C27 | sing | 1.37Å | 1.36Å | Aromatic |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N2 | C19 | sing | 1.38Å | 1.33Å | |
| N2 | HN2 | sing | 1.02Å | 1.00Å | |
| C19 | O5 | doub | 1.23Å | 1.23Å | |
| C19 | C18 | sing | 1.50Å | 1.51Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.54Å | 1.50Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.52Å | 1.53Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.52Å | 1.53Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C17 | sing | 1.53Å | 1.50Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C17 | P1 | sing | 1.81Å | 1.72Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| P1 | O3 | doub | 1.50Å | 1.52Å | |
| P1 | O4 | sing | 1.62Å | 1.50Å | |
| P1 | C9 | sing | 1.79Å | 1.74Å | |
| O4 | HO4 | sing | 0.98Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | N1 | sing | 1.46Å | 1.34Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C14 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| N1 | C1 | sing | 1.38Å | 1.33Å | |
| N1 | HN1 | sing | 1.02Å | 1.00Å | |
| C1 | O2 | doub | 1.23Å | 1.22Å | |
| C1 | O1 | sing | 1.37Å | 1.45Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.50Å | 1.52Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | OXT | HOXT | 109.5° | 114.9° |
| OXT | C24 | O6 | 121.3° | 122.2° |
| OXT | C24 | C23 | 119.4° | 114.9° |
| O6 | C24 | C23 | 119.3° | 123.0° |
| C24 | C23 | C25 | 112.1° | 110.0° |
| C24 | C23 | N2 | 112.9° | 111.2° |
| C24 | C23 | H23 | 104.3° | 106.9° |
| C25 | C23 | N2 | 106.2° | 111.1° |
| C25 | C23 | H23 | 111.2° | 111.4° |
| C23 | C25 | C26 | 115.5° | 113.0° |
| C23 | C25 | H251 | 107.5° | 110.4° |
| C23 | C25 | H252 | 106.1° | 110.1° |
| N2 | C23 | H23 | 110.3° | 106.2° |
| C23 | N2 | C19 | 124.0° | 123.2° |
| C23 | N2 | HN2 | 118.0° | 118.4° |
| C26 | C25 | H251 | 107.5° | 108.1° |
| C26 | C25 | H252 | 106.1° | 109.8° |
| C25 | C26 | C27 | 126.4° | 124.6° |
| C25 | C26 | C28 | 127.4° | 125.5° |
| H251 | C25 | H252 | 114.3° | 105.2° |
| C27 | C26 | C28 | 106.1° | 109.9° |
| C26 | C27 | N3 | 109.2° | 106.8° |
| C26 | C27 | H27 | 125.4° | 132.8° |
| C26 | C28 | C29 | 108.1° | 106.0° |
| C26 | C28 | C30 | 130.7° | 135.2° |
| C29 | C28 | C30 | 121.3° | 118.8° |
| C28 | C29 | C31 | 119.3° | 122.7° |
| C28 | C29 | N3 | 107.6° | 107.1° |
| C28 | C30 | C32 | 118.9° | 119.2° |
| C28 | C30 | H30 | 120.5° | 120.9° |
| C32 | C30 | H30 | 120.5° | 119.9° |
| C30 | C32 | C33 | 120.6° | 120.8° |
| C30 | C32 | H32 | 119.7° | 119.5° |
| C33 | C32 | H32 | 119.7° | 119.7° |
| C32 | C33 | C31 | 120.3° | 121.0° |
| C32 | C33 | H33 | 119.9° | 119.6° |
| C31 | C33 | H33 | 119.8° | 119.4° |
| C33 | C31 | C29 | 119.7° | 117.5° |
| C33 | C31 | H31 | 120.2° | 121.0° |
| C29 | C31 | H31 | 120.1° | 121.5° |
| C31 | C29 | N3 | 133.1° | 130.2° |
| C29 | N3 | C27 | 109.0° | 110.1° |
| C29 | N3 | HN3 | 125.5° | 124.8° |
| C27 | N3 | HN3 | 125.5° | 125.0° |
| N3 | C27 | H27 | 125.4° | 120.4° |
| C19 | N2 | HN2 | 118.0° | 118.4° |
| N2 | C19 | O5 | 124.4° | 126.4° |
| N2 | C19 | C18 | 113.4° | 114.0° |
| O5 | C19 | C18 | 122.2° | 119.6° |
| C19 | C18 | C20 | 110.9° | 110.7° |
| C19 | C18 | C17 | 115.3° | 110.1° |
| C19 | C18 | H18 | 102.6° | 106.8° |
| C20 | C18 | C17 | 103.2° | 106.4° |
| C20 | C18 | H18 | 114.8° | 110.7° |
| C18 | C20 | C21 | 107.6° | 104.9° |
| C18 | C20 | H201 | 110.1° | 109.4° |
| C18 | C20 | H202 | 110.5° | 113.7° |
| C17 | C18 | H18 | 110.4° | 112.2° |
| C18 | C17 | C22 | 112.6° | 105.3° |
| C18 | C17 | P1 | 122.3° | 112.9° |
| C18 | C17 | H17 | 123.8° | 110.7° |
| C21 | C20 | H201 | 110.1° | 109.3° |
| C21 | C20 | H202 | 110.5° | 111.7° |
| C20 | C21 | C22 | 109.0° | 103.0° |
| C20 | C21 | H211 | 109.6° | 110.3° |
| C20 | C21 | H212 | 109.7° | 112.3° |
| H201 | C20 | H202 | 108.1° | 107.8° |
| C22 | C21 | H211 | 109.6° | 110.4° |
| C22 | C21 | H212 | 109.7° | 112.4° |
| C21 | C22 | C17 | 103.0° | 104.0° |
| C21 | C22 | H221 | 111.7° | 112.3° |
| C21 | C22 | H222 | 113.0° | 110.5° |
| H211 | C21 | H212 | 109.1° | 108.3° |
| C17 | C22 | H221 | 111.7° | 112.0° |
| C17 | C22 | H222 | 113.1° | 110.4° |
| C22 | C17 | P1 | 124.8° | 112.5° |
| C22 | C17 | H17 | 107.7° | 109.0° |
| H221 | C22 | H222 | 104.6° | 107.6° |
| P1 | C17 | H17 | 44.5° | 106.4° |
| C17 | P1 | O3 | 107.4° | 113.9° |
| C17 | P1 | O4 | 103.8° | 102.5° |
| C17 | P1 | C9 | 119.8° | 107.1° |
| O3 | P1 | O4 | 113.1° | 113.9° |
| O3 | P1 | C9 | 102.9° | 114.6° |
| O4 | P1 | C9 | 110.1° | 103.7° |
| P1 | O4 | HO4 | 109.5° | 118.9° |
| P1 | C9 | C10 | 124.5° | 112.9° |
| P1 | C9 | N1 | 116.3° | 105.1° |
| P1 | C9 | H9 | 86.2° | 108.5° |
| C10 | C9 | N1 | 118.8° | 111.0° |
| C10 | C9 | H9 | 69.2° | 110.3° |
| C9 | C10 | C11 | 115.7° | 113.4° |
| C9 | C10 | H101 | 107.4° | 109.7° |
| C9 | C10 | H102 | 106.0° | 110.0° |
| N1 | C9 | H9 | 123.9° | 108.8° |
| C9 | N1 | C1 | 129.0° | 123.8° |
| C9 | N1 | HN1 | 115.5° | 118.1° |
| C11 | C10 | H101 | 107.4° | 108.2° |
| C11 | C10 | H102 | 106.0° | 109.9° |
| C10 | C11 | C12 | 122.0° | 119.4° |
| C10 | C11 | C13 | 119.5° | 119.3° |
| H101 | C10 | H102 | 114.5° | 105.3° |
| C12 | C11 | C13 | 118.5° | 121.3° |
| C11 | C12 | C14 | 121.1° | 119.4° |
| C11 | C12 | H12 | 119.5° | 121.2° |
| C11 | C13 | C15 | 120.8° | 119.3° |
| C11 | C13 | H13 | 119.6° | 121.2° |
| C15 | C13 | H13 | 119.6° | 119.5° |
| C13 | C15 | C16 | 120.1° | 120.0° |
| C13 | C15 | H15 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | C14 | 119.5° | 120.0° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C14 | C16 | H16 | 120.3° | 120.0° |
| C16 | C14 | C12 | 120.0° | 120.0° |
| C16 | C14 | H14 | 120.0° | 120.0° |
| C12 | C14 | H14 | 120.0° | 120.0° |
| C14 | C12 | H12 | 119.5° | 119.5° |
| C1 | N1 | HN1 | 115.5° | 118.1° |
| N1 | C1 | O2 | 125.3° | 125.7° |
| N1 | C1 | O1 | 117.4° | 109.7° |
| O2 | C1 | O1 | 117.4° | 124.6° |
| C1 | O1 | C2 | 121.6° | 115.8° |
| O1 | C2 | C3 | 110.0° | 109.1° |
| O1 | C2 | H21 | 109.3° | 109.0° |
| O1 | C2 | H22 | 109.2° | 109.1° |
| C3 | C2 | H21 | 109.3° | 111.0° |
| C3 | C2 | H22 | 109.2° | 110.7° |
| C2 | C3 | C4 | 120.3° | 119.7° |
| C2 | C3 | C5 | 120.1° | 119.7° |
| H21 | C2 | H22 | 109.9° | 107.8° |
| C4 | C3 | C5 | 119.5° | 120.6° |
| C3 | C4 | C6 | 119.8° | 119.7° |
| C3 | C4 | H4 | 120.1° | 120.9° |
| C3 | C5 | C7 | 120.6° | 119.7° |
| C3 | C5 | H5 | 119.7° | 120.9° |
| C6 | C4 | H4 | 120.1° | 119.4° |
| C4 | C6 | C8 | 120.6° | 120.0° |
| C4 | C6 | H6 | 119.7° | 120.0° |
| C7 | C5 | H5 | 119.7° | 119.4° |
| C5 | C7 | C8 | 119.8° | 120.0° |
| C5 | C7 | H7 | 120.1° | 120.1° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | C6 | 119.7° | 120.0° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| C6 | C8 | H8 | 120.1° | 120.0° |
| C8 | C6 | H6 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C24 | O6 | C23 | 179.6° | 179.5° |
| OXT | C24 | C23 | C25 | 109.6° | 118.6° |
| OXT | C24 | C23 | N2 | 10.4° | 5.0° |
| OXT | C24 | C23 | H23 | 130.1° | 120.4° |
| HOXT | OXT | C24 | O6 | 0.0° | 0.1° |
| HOXT | OXT | C24 | C23 | 179.6° | 179.6° |
| O6 | C24 | C23 | C25 | 70.8° | 61.0° |
| O6 | C24 | C23 | N2 | 169.3° | 175.5° |
| O6 | C24 | C23 | H23 | 49.6° | 60.0° |
| C24 | C23 | C25 | N2 | 123.8° | 123.5° |
| C24 | C23 | C25 | H23 | 116.2° | 118.3° |
| C24 | C23 | N2 | H23 | 116.2° | 115.9° |
| C24 | C23 | C25 | C26 | 66.8° | 158.3° |
| C24 | C23 | C25 | H251 | 173.2° | 80.5° |
| C24 | C23 | C25 | H252 | 50.5° | 35.2° |
| C24 | C23 | N2 | C19 | 69.2° | 85.9° |
| C24 | C23 | N2 | HN2 | 110.8° | 94.1° |
| C25 | C23 | N2 | H23 | 120.6° | 121.2° |
| C23 | C25 | C26 | H251 | 120.0° | 122.4° |
| C23 | C25 | C26 | H252 | 117.3° | 123.3° |
| C23 | C25 | H251 | H252 | 117.6° | 118.7° |
| C23 | C25 | C26 | C27 | 93.0° | 90.1° |
| C23 | C25 | C26 | C28 | 88.7° | 90.1° |
| C25 | C23 | N2 | C19 | 167.6° | 151.3° |
| C25 | C23 | N2 | HN2 | 12.4° | 28.8° |
| N2 | C23 | C25 | C26 | 57.0° | 78.1° |
| N2 | C23 | C25 | H251 | 63.0° | 43.0° |
| N2 | C23 | C25 | H252 | 174.2° | 158.7° |
| C23 | N2 | C19 | HN2 | 180.0° | 179.9° |
| C23 | N2 | C19 | O5 | 1.1° | 0.0° |
| C23 | N2 | C19 | C18 | 178.8° | 179.9° |
| H23 | C23 | C25 | C26 | 177.0° | 40.0° |
| H23 | C23 | C25 | H251 | 57.0° | 161.1° |
| H23 | C23 | C25 | H252 | 65.8° | 83.1° |
| H23 | C23 | N2 | C19 | 47.0° | 30.0° |
| H23 | C23 | N2 | HN2 | 133.0° | 150.0° |
| C26 | C25 | H251 | H252 | 117.5° | 117.3° |
| C25 | C26 | C27 | C28 | 178.6° | 179.9° |
| C25 | C26 | C28 | C29 | 179.2° | 179.9° |
| C25 | C26 | C28 | C30 | 1.1° | 0.1° |
| C25 | C26 | C27 | N3 | 179.2° | 179.9° |
| C25 | C26 | C27 | H27 | 0.8° | 0.1° |
| H251 | C25 | C26 | C27 | 147.1° | 32.3° |
| H251 | C25 | C26 | C28 | 31.3° | 147.5° |
| H252 | C25 | C26 | C27 | 24.3° | 146.6° |
| H252 | C25 | C26 | C28 | 154.0° | 33.2° |
| C27 | C26 | C28 | C29 | 0.6° | 0.0° |
| C27 | C26 | C28 | C30 | 179.7° | 180.0° |
| C26 | C27 | N3 | C29 | 0.4° | 0.1° |
| C26 | C27 | N3 | H27 | 180.0° | 180.0° |
| C26 | C27 | N3 | HN3 | 179.7° | 180.0° |
| C26 | C28 | C29 | C30 | 179.8° | 180.0° |
| C26 | C28 | C30 | C32 | 179.5° | 180.0° |
| C26 | C28 | C30 | H30 | 0.4° | 0.1° |
| C26 | C28 | C29 | C31 | 179.4° | 180.0° |
| C26 | C28 | C29 | N3 | 0.3° | 0.0° |
| C28 | C26 | C27 | N3 | 0.6° | 0.1° |
| C28 | C26 | C27 | H27 | 179.4° | 180.0° |
| C29 | C28 | C30 | C32 | 0.2° | 0.0° |
| C29 | C28 | C30 | H30 | 179.8° | 179.9° |
| C28 | C29 | C31 | C33 | 0.3° | 0.0° |
| C28 | C29 | C31 | N3 | 179.7° | 180.0° |
| C28 | C29 | C31 | H31 | 179.7° | 180.0° |
| C28 | C29 | N3 | C27 | 0.0° | 0.0° |
| C28 | C29 | N3 | HN3 | 180.0° | 180.0° |
| C28 | C30 | C32 | H30 | 180.0° | 179.9° |
| C28 | C30 | C32 | C33 | 0.0° | 0.0° |
| C28 | C30 | C32 | H32 | 180.0° | 179.9° |
| C30 | C28 | C29 | C31 | 0.3° | 0.0° |
| C30 | C28 | C29 | N3 | 179.9° | 180.0° |
| C30 | C32 | C33 | H32 | 180.0° | 180.0° |
| C30 | C32 | C33 | C31 | 0.0° | 0.1° |
| C30 | C32 | C33 | H33 | 180.0° | 180.0° |
| H30 | C30 | C32 | C33 | 180.0° | 180.0° |
| H30 | C30 | C32 | H32 | 0.0° | 0.0° |
| C32 | C33 | C31 | H33 | 180.0° | 179.9° |
| C32 | C33 | C31 | C29 | 0.2° | 0.0° |
| C32 | C33 | C31 | H31 | 179.8° | 180.0° |
| H32 | C32 | C33 | C31 | 180.0° | 179.9° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| C33 | C31 | C29 | H31 | 180.0° | 180.0° |
| C33 | C31 | C29 | N3 | 180.0° | 180.0° |
| H33 | C33 | C31 | C29 | 179.8° | 180.0° |
| H33 | C33 | C31 | H31 | 0.2° | 0.1° |
| C31 | C29 | N3 | C27 | 179.8° | 180.0° |
| C31 | C29 | N3 | HN3 | 0.3° | 0.0° |
| H31 | C31 | C29 | N3 | 0.1° | 0.0° |
| C29 | N3 | C27 | HN3 | 180.0° | 180.0° |
| C29 | N3 | C27 | H27 | 179.7° | 180.0° |
| HN3 | N3 | C27 | H27 | 0.3° | 0.0° |
| N2 | C19 | O5 | C18 | 179.9° | 179.9° |
| N2 | C19 | C18 | C20 | 69.0° | 150.5° |
| N2 | C19 | C18 | C17 | 174.1° | 92.2° |
| N2 | C19 | C18 | H18 | 54.0° | 29.9° |
| HN2 | N2 | C19 | O5 | 178.8° | 179.9° |
| HN2 | N2 | C19 | C18 | 1.3° | 0.0° |
| O5 | C19 | C18 | C20 | 110.9° | 29.4° |
| O5 | C19 | C18 | C17 | 6.0° | 87.9° |
| O5 | C19 | C18 | H18 | 126.0° | 150.0° |
| C19 | C18 | C20 | C17 | 124.0° | 119.6° |
| C19 | C18 | C20 | H18 | 115.7° | 118.3° |
| C19 | C18 | C17 | H18 | 115.7° | 118.9° |
| C19 | C18 | C20 | C21 | 106.6° | 101.6° |
| C19 | C18 | C20 | H201 | 13.4° | 141.3° |
| C19 | C18 | C20 | H202 | 132.7° | 20.7° |
| C19 | C18 | C17 | C22 | 98.7° | 126.9° |
| C19 | C18 | C17 | P1 | 87.4° | 110.0° |
| C19 | C18 | C17 | H17 | 33.7° | 9.2° |
| C20 | C18 | C17 | H18 | 123.2° | 121.1° |
| C18 | C20 | C21 | H201 | 120.0° | 117.2° |
| C18 | C20 | C21 | H202 | 120.7° | 123.6° |
| C18 | C20 | H201 | H202 | 120.8° | 124.1° |
| C18 | C20 | C21 | C22 | 7.5° | 36.2° |
| C18 | C20 | C21 | H211 | 112.5° | 81.7° |
| C18 | C20 | C21 | H212 | 127.7° | 157.4° |
| C20 | C18 | C17 | C22 | 22.4° | 6.9° |
| C20 | C18 | C17 | P1 | 151.5° | 130.0° |
| C20 | C18 | C17 | H17 | 154.8° | 110.8° |
| C17 | C18 | C20 | C21 | 17.4° | 18.1° |
| C17 | C18 | C20 | H201 | 137.4° | 99.1° |
| C17 | C18 | C20 | H202 | 103.3° | 140.3° |
| C18 | C17 | C22 | C21 | 17.7° | 29.4° |
| C18 | C17 | C22 | P1 | 173.7° | 123.4° |
| C18 | C17 | C22 | H17 | 139.9° | 118.8° |
| C18 | C17 | C22 | H221 | 102.2° | 150.9° |
| C18 | C17 | C22 | H222 | 140.1° | 89.1° |
| C18 | C17 | P1 | H17 | 107.2° | 121.7° |
| C18 | C17 | P1 | O3 | 15.4° | 53.2° |
| C18 | C17 | P1 | O4 | 104.6° | 70.3° |
| C18 | C17 | P1 | C9 | 132.1° | 179.0° |
| H18 | C18 | C20 | C21 | 137.6° | 140.2° |
| H18 | C18 | C20 | H201 | 102.4° | 23.0° |
| H18 | C18 | C20 | H202 | 16.9° | 97.6° |
| H18 | C18 | C17 | C22 | 145.6° | 114.2° |
| H18 | C18 | C17 | P1 | 28.3° | 8.9° |
| H18 | C18 | C17 | H17 | 82.0° | 128.1° |
| C21 | C20 | H201 | H202 | 120.7° | 121.6° |
| C20 | C21 | C22 | H211 | 120.0° | 117.8° |
| C20 | C21 | C22 | H212 | 120.2° | 121.1° |
| C20 | C21 | H211 | H212 | 120.2° | 123.3° |
| C20 | C21 | C22 | C17 | 5.7° | 40.6° |
| C20 | C21 | C22 | H221 | 114.3° | 162.0° |
| C20 | C21 | C22 | H222 | 128.1° | 77.8° |
| H201 | C20 | C21 | C22 | 127.5° | 81.0° |
| H201 | C20 | C21 | H211 | 7.5° | 161.1° |
| H201 | C20 | C21 | H212 | 112.3° | 40.2° |
| H202 | C20 | C21 | C22 | 113.2° | 159.8° |
| H202 | C20 | C21 | H211 | 126.8° | 41.9° |
| H202 | C20 | C21 | H212 | 7.0° | 79.0° |
| C22 | C21 | H211 | H212 | 120.2° | 123.5° |
| C21 | C22 | C17 | H221 | 120.0° | 121.6° |
| C21 | C22 | C17 | H222 | 122.4° | 118.5° |
| C21 | C22 | H221 | H222 | 122.6° | 121.8° |
| C21 | C22 | C17 | P1 | 155.9° | 152.7° |
| C21 | C22 | C17 | H17 | 157.7° | 89.5° |
| H211 | C21 | C22 | C17 | 125.7° | 77.2° |
| H211 | C21 | C22 | H221 | 5.7° | 44.2° |
| H211 | C21 | C22 | H222 | 111.9° | 164.4° |
| H212 | C21 | C22 | C17 | 114.5° | 161.7° |
| H212 | C21 | C22 | H221 | 125.5° | 76.9° |
| H212 | C21 | C22 | H222 | 7.9° | 43.3° |
| C17 | C22 | H221 | H222 | 122.6° | 121.6° |
| C22 | C17 | P1 | H17 | 79.7° | 119.3° |
| C22 | C17 | P1 | O3 | 171.5° | 172.2° |
| C22 | C17 | P1 | O4 | 68.5° | 48.7° |
| C22 | C17 | P1 | C9 | 54.8° | 60.0° |
| H221 | C22 | C17 | P1 | 84.1° | 85.7° |
| H221 | C22 | C17 | H17 | 37.7° | 32.1° |
| H222 | C22 | C17 | P1 | 33.6° | 34.2° |
| H222 | C22 | C17 | H17 | 80.0° | 152.0° |
| C17 | P1 | O3 | O4 | 114.0° | 117.1° |
| C17 | P1 | O3 | C9 | 127.3° | 123.8° |
| C17 | P1 | O4 | C9 | 129.4° | 111.3° |
| C17 | P1 | O4 | HO4 | 59.7° | 117.0° |
| C17 | P1 | C9 | C10 | 19.4° | 177.4° |
| C17 | P1 | C9 | N1 | 168.2° | 56.2° |
| C17 | P1 | C9 | H9 | 42.0° | 60.0° |
| H17 | C17 | P1 | O3 | 91.8° | 68.5° |
| H17 | C17 | P1 | O4 | 148.2° | 168.0° |
| H17 | C17 | P1 | C9 | 24.9° | 59.3° |
| O3 | P1 | O4 | C9 | 114.5° | 125.2° |
| O3 | P1 | O4 | HO4 | 56.4° | 119.6° |
| O3 | P1 | C9 | C10 | 99.6° | 50.0° |
| O3 | P1 | C9 | N1 | 72.8° | 71.1° |
| O3 | P1 | C9 | H9 | 161.0° | 172.7° |
| O4 | P1 | C9 | C10 | 139.6° | 74.7° |
| O4 | P1 | C9 | N1 | 48.0° | 164.2° |
| O4 | P1 | C9 | H9 | 78.2° | 48.0° |
| C9 | P1 | O4 | HO4 | 170.9° | 5.6° |
| P1 | C9 | C10 | N1 | 172.2° | 117.7° |
| P1 | C9 | C10 | H9 | 69.6° | 121.6° |
| P1 | C9 | N1 | H9 | 104.0° | 116.0° |
| P1 | C9 | C10 | C11 | 179.9° | 178.4° |
| P1 | C9 | C10 | H101 | 60.1° | 60.5° |
| P1 | C9 | C10 | H102 | 62.8° | 54.9° |
| P1 | C9 | N1 | C1 | 71.0° | 116.1° |
| P1 | C9 | N1 | HN1 | 109.0° | 64.0° |
| C10 | C9 | N1 | H9 | 83.1° | 121.6° |
| C9 | C10 | C11 | H101 | 120.0° | 121.9° |
| C9 | C10 | C11 | H102 | 117.1° | 123.6° |
| C9 | C10 | H101 | H102 | 117.4° | 118.3° |
| C9 | C10 | C11 | C12 | 60.6° | 90.0° |
| C9 | C10 | C11 | C13 | 119.9° | 90.0° |
| C10 | C9 | N1 | C1 | 116.2° | 121.5° |
| C10 | C9 | N1 | HN1 | 63.8° | 58.4° |
| N1 | C9 | C10 | C11 | 7.8° | 60.7° |
| N1 | C9 | C10 | H101 | 112.2° | 178.2° |
| N1 | C9 | C10 | H102 | 125.0° | 62.8° |
| C9 | N1 | C1 | HN1 | 180.0° | 179.9° |
| C9 | N1 | C1 | O2 | 2.3° | 0.1° |
| C9 | N1 | C1 | O1 | 178.3° | 180.0° |
| H9 | C9 | C10 | C11 | 110.3° | 60.0° |
| H9 | C9 | C10 | H101 | 129.7° | 61.1° |
| H9 | C9 | C10 | H102 | 6.9° | 176.5° |
| H9 | C9 | N1 | C1 | 33.0° | 0.1° |
| H9 | C9 | N1 | HN1 | 146.9° | 180.0° |
| C11 | C10 | H101 | H102 | 117.4° | 117.5° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | C13 | C15 | 179.9° | 180.0° |
| C10 | C11 | C13 | H13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C14 | 179.5° | 180.0° |
| C10 | C11 | C12 | H12 | 0.4° | 0.0° |
| H101 | C10 | C11 | C12 | 59.4° | 32.0° |
| H101 | C10 | C11 | C13 | 120.1° | 148.1° |
| H102 | C10 | C11 | C12 | 177.7° | 146.4° |
| H102 | C10 | C11 | C13 | 2.8° | 33.6° |
| C12 | C11 | C13 | C15 | 0.6° | 0.0° |
| C12 | C11 | C13 | H13 | 179.4° | 180.0° |
| C11 | C12 | C14 | C16 | 0.9° | 0.1° |
| C11 | C12 | C14 | H12 | 180.0° | 179.9° |
| C11 | C12 | C14 | H14 | 179.1° | 180.0° |
| C11 | C13 | C15 | H13 | 180.0° | 180.0° |
| C11 | C13 | C15 | C16 | 0.3° | 0.0° |
| C11 | C13 | C15 | H15 | 179.7° | 180.0° |
| C13 | C11 | C12 | C14 | 0.9° | 0.0° |
| C13 | C11 | C12 | H12 | 179.1° | 180.0° |
| C13 | C15 | C16 | H15 | 180.0° | 180.0° |
| C13 | C15 | C16 | C14 | 0.2° | 0.0° |
| C13 | C15 | C16 | H16 | 179.8° | 180.0° |
| H13 | C13 | C15 | C16 | 179.7° | 180.0° |
| H13 | C13 | C15 | H15 | 0.3° | 0.0° |
| C15 | C16 | C14 | H16 | 180.0° | 179.9° |
| C15 | C16 | C14 | C12 | 0.5° | 0.1° |
| C15 | C16 | C14 | H14 | 179.5° | 180.0° |
| H15 | C15 | C16 | C14 | 179.8° | 180.0° |
| H15 | C15 | C16 | H16 | 0.2° | 0.1° |
| C16 | C14 | C12 | H14 | 180.0° | 180.0° |
| C16 | C14 | C12 | H12 | 179.1° | 180.0° |
| H16 | C16 | C14 | C12 | 179.5° | 180.0° |
| H16 | C16 | C14 | H14 | 0.5° | 0.1° |
| H14 | C14 | C12 | H12 | 0.9° | 0.1° |
| N1 | C1 | O2 | O1 | 179.4° | 179.8° |
| N1 | C1 | O1 | C2 | 139.0° | 179.8° |
| HN1 | N1 | C1 | O2 | 177.7° | 179.7° |
| HN1 | N1 | C1 | O1 | 1.8° | 0.1° |
| O2 | C1 | O1 | C2 | 41.5° | 0.0° |
| C1 | O1 | C2 | C3 | 163.6° | 180.0° |
| C1 | O1 | C2 | H21 | 76.4° | 58.6° |
| C1 | O1 | C2 | H22 | 43.8° | 58.9° |
| O1 | C2 | C3 | H21 | 120.0° | 120.2° |
| O1 | C2 | C3 | H22 | 119.8° | 120.1° |
| O1 | C2 | H21 | H22 | 119.8° | 118.3° |
| O1 | C2 | C3 | C4 | 89.0° | 90.0° |
| O1 | C2 | C3 | C5 | 91.0° | 90.0° |
| C3 | C2 | H21 | H22 | 119.8° | 121.5° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C4 | C6 | 179.7° | 180.0° |
| C2 | C3 | C4 | H4 | 0.3° | 0.0° |
| C2 | C3 | C5 | C7 | 179.7° | 180.0° |
| C2 | C3 | C5 | H5 | 0.3° | 0.1° |
| H21 | C2 | C3 | C4 | 151.0° | 149.8° |
| H21 | C2 | C3 | C5 | 29.0° | 30.2° |
| H22 | C2 | C3 | C4 | 30.7° | 30.1° |
| H22 | C2 | C3 | C5 | 149.2° | 149.9° |
| C3 | C4 | C6 | H4 | 180.0° | 180.0° |
| C4 | C3 | C5 | C7 | 0.2° | 0.0° |
| C4 | C3 | C5 | H5 | 179.8° | 180.0° |
| C3 | C4 | C6 | C8 | 0.3° | 0.0° |
| C3 | C4 | C6 | H6 | 179.7° | 180.0° |
| C5 | C3 | C4 | C6 | 0.2° | 0.0° |
| C5 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C5 | C7 | H5 | 180.0° | 179.9° |
| C3 | C5 | C7 | C8 | 0.2° | 0.1° |
| C3 | C5 | C7 | H7 | 179.8° | 180.0° |
| C4 | C6 | C8 | C7 | 0.2° | 0.0° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | H8 | 179.7° | 179.9° |
| H4 | C4 | C6 | C8 | 179.7° | 180.0° |
| H4 | C4 | C6 | H6 | 0.3° | 0.0° |
| C5 | C7 | C8 | H7 | 180.0° | 180.0° |
| C5 | C7 | C8 | C6 | 0.2° | 0.0° |
| C5 | C7 | C8 | H8 | 179.8° | 180.0° |
| H5 | C5 | C7 | C8 | 179.8° | 180.0° |
| H5 | C5 | C7 | H7 | 0.2° | 0.0° |
| C7 | C8 | C6 | H8 | 180.0° | 179.9° |
| C7 | C8 | C6 | H6 | 179.8° | 180.0° |
| H7 | C7 | C8 | C6 | 179.8° | 180.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.1° |
| H8 | C8 | C6 | H6 | 0.3° | 0.1° |
