RXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN22 | sing | 0.97Å | 1.02Å | |
| N2 | C1 | sing | 1.46Å | 1.44Å | |
| N2 | C12 | sing | 1.35Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C11 | sing | 1.51Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.46Å | 1.35Å | Aromatic |
| C3 | C5 | doub | 1.34Å | 1.41Å | Aromatic |
| C4 | C6 | doub | 1.41Å | 1.53Å | Aromatic |
| C4 | C7 | sing | 1.40Å | 1.53Å | Aromatic |
| C5 | N3 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| N3 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C6 | C8 | sing | 1.39Å | 1.54Å | Aromatic |
| C7 | C9 | doub | 1.37Å | 1.51Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C10 | doub | 1.38Å | 1.54Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.39Å | 1.57Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | O1 | doub | 1.21Å | 1.21Å | |
| O2 | C12 | doub | 1.21Å | 1.24Å | |
| C12 | C20 | sing | 1.51Å | 1.57Å | |
| C13 | C20 | sing | 1.53Å | 1.52Å | |
| C13 | C38 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | doub | 1.38Å | 1.47Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.47Å | Aromatic |
| C14 | C39 | sing | 1.51Å | 1.46Å | |
| C15 | C16 | sing | 1.38Å | 1.50Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.45Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.48Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.53Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.60Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.53Å | 1.48Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C21 | P | sing | 1.82Å | 1.79Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| P | O1P | doub | 1.48Å | 1.38Å | |
| P | O2P | sing | 1.61Å | 1.41Å | |
| P | C22 | sing | 1.82Å | 1.81Å | |
| O2P | HOP | sing | 0.97Å | 0.95Å | |
| N4 | C22 | sing | 1.46Å | 1.46Å | |
| N4 | C30 | sing | 1.35Å | 1.43Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C22 | C23 | sing | 1.53Å | 1.58Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.51Å | 1.40Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | doub | 1.38Å | 1.54Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.49Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.49Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C28 | doub | 1.38Å | 1.55Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C29 | doub | 1.38Å | 1.53Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | O5 | doub | 1.21Å | 1.27Å | |
| C30 | O6 | sing | 1.35Å | 1.48Å | |
| O6 | C31 | sing | 1.45Å | 1.63Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | doub | 1.38Å | 1.53Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.52Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.54Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.59Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.58Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.61Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N1 | HN11 | 127.3° | 120.0° |
| C11 | N1 | HN22 | 108.0° | 120.0° |
| N1 | C11 | C1 | 108.1° | 120.0° |
| N1 | C11 | O1 | 127.3° | 120.0° |
| HN11 | N1 | HN22 | 121.1° | 120.0° |
| C1 | N2 | C12 | 124.5° | 120.0° |
| C1 | N2 | HN2 | 120.9° | 120.0° |
| N2 | C1 | C2 | 113.3° | 109.5° |
| N2 | C1 | C11 | 110.2° | 109.5° |
| N2 | C1 | H1 | 109.3° | 109.5° |
| C12 | N2 | HN2 | 114.7° | 120.0° |
| N2 | C12 | O2 | 124.4° | 120.0° |
| N2 | C12 | C20 | 118.0° | 120.0° |
| C2 | C1 | C11 | 116.9° | 109.4° |
| C2 | C1 | H1 | 101.2° | 109.5° |
| C1 | C2 | C3 | 116.6° | 109.5° |
| C1 | C2 | H21 | 109.7° | 109.5° |
| C1 | C2 | H22A | 109.7° | 109.5° |
| C11 | C1 | H1 | 104.9° | 109.5° |
| C1 | C11 | O1 | 121.0° | 120.0° |
| C3 | C2 | H21 | 109.6° | 109.5° |
| C3 | C2 | H22A | 109.6° | 109.4° |
| C2 | C3 | C4 | 121.7° | 126.5° |
| C2 | C3 | C5 | 127.3° | 126.5° |
| H21 | C2 | H22A | 100.5° | 109.4° |
| C4 | C3 | C5 | 111.0° | 107.0° |
| C3 | C4 | C6 | 101.9° | 106.0° |
| C3 | C4 | C7 | 137.0° | 134.1° |
| C3 | C5 | N3 | 111.2° | 109.9° |
| C3 | C5 | H5 | 126.9° | 125.1° |
| C6 | C4 | C7 | 121.1° | 119.9° |
| C4 | C6 | N3 | 109.0° | 107.2° |
| C4 | C6 | C8 | 121.6° | 119.3° |
| C4 | C7 | C9 | 116.8° | 119.7° |
| C4 | C7 | H7 | 122.4° | 120.1° |
| N3 | C5 | H5 | 121.8° | 125.0° |
| C5 | N3 | C6 | 106.8° | 109.9° |
| C5 | N3 | HN3 | 125.0° | 125.0° |
| C6 | N3 | HN3 | 128.2° | 125.1° |
| N3 | C6 | C8 | 129.4° | 133.6° |
| C6 | C8 | C10 | 118.6° | 119.8° |
| C6 | C8 | H8 | 120.6° | 120.1° |
| C9 | C7 | H7 | 120.9° | 120.2° |
| C7 | C9 | C10 | 124.1° | 120.6° |
| C7 | C9 | H9 | 116.1° | 119.7° |
| C10 | C8 | H8 | 120.9° | 120.1° |
| C8 | C10 | C9 | 117.8° | 120.7° |
| C8 | C10 | H10 | 120.4° | 119.6° |
| C10 | C9 | H9 | 119.9° | 119.7° |
| C9 | C10 | H10 | 121.8° | 119.7° |
| O2 | C12 | C20 | 117.4° | 120.0° |
| C12 | C20 | C13 | 115.0° | 109.5° |
| C12 | C20 | C21 | 105.7° | 109.5° |
| C12 | C20 | H20 | 107.4° | 109.5° |
| C20 | C13 | C38 | 112.3° | 109.4° |
| C20 | C13 | H131 | 111.1° | 109.5° |
| C20 | C13 | H132 | 111.1° | 109.5° |
| C13 | C20 | C21 | 106.5° | 109.4° |
| C13 | C20 | H20 | 106.7° | 109.5° |
| C38 | C13 | H131 | 111.2° | 109.5° |
| C38 | C13 | H132 | 111.2° | 109.5° |
| C13 | C38 | C39 | 124.3° | 109.5° |
| C13 | C38 | H381 | 106.9° | 109.5° |
| C13 | C38 | H382 | 106.9° | 109.5° |
| H131 | C13 | H132 | 99.3° | 109.5° |
| C15 | C14 | C19 | 119.8° | 119.9° |
| C15 | C14 | C39 | 107.6° | 120.0° |
| C14 | C15 | C16 | 122.3° | 120.0° |
| C14 | C15 | H15 | 117.8° | 120.0° |
| C19 | C14 | C39 | 131.9° | 120.0° |
| C14 | C19 | C18 | 117.4° | 120.1° |
| C14 | C19 | H19 | 119.6° | 120.0° |
| C14 | C39 | C38 | 128.0° | 109.5° |
| C14 | C39 | H391 | 105.8° | 109.5° |
| C14 | C39 | H392 | 105.7° | 109.5° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | C17 | 118.9° | 120.0° |
| C15 | C16 | H16 | 122.1° | 120.0° |
| C17 | C16 | H16 | 119.0° | 120.0° |
| C16 | C17 | C18 | 119.4° | 120.0° |
| C16 | C17 | H17 | 119.3° | 120.0° |
| C18 | C17 | H17 | 121.2° | 120.0° |
| C17 | C18 | C19 | 122.0° | 120.0° |
| C17 | C18 | H18 | 117.4° | 120.0° |
| C19 | C18 | H18 | 120.5° | 120.0° |
| C18 | C19 | H19 | 123.0° | 119.9° |
| C21 | C20 | H20 | 115.8° | 109.4° |
| C20 | C21 | P | 127.8° | 109.5° |
| C20 | C21 | H211 | 105.8° | 109.5° |
| C20 | C21 | H212 | 105.8° | 109.5° |
| C39 | C38 | H381 | 107.0° | 109.5° |
| C39 | C38 | H382 | 106.9° | 109.4° |
| C38 | C39 | H391 | 105.8° | 109.5° |
| C38 | C39 | H392 | 105.8° | 109.5° |
| H381 | C38 | H382 | 102.7° | 109.5° |
| H391 | C39 | H392 | 103.6° | 109.4° |
| P | C21 | H211 | 105.8° | 109.5° |
| P | C21 | H212 | 105.8° | 109.4° |
| C21 | P | O1P | 101.7° | 109.5° |
| C21 | P | O2P | 115.1° | 109.5° |
| C21 | P | C22 | 116.8° | 109.5° |
| H211 | C21 | H212 | 103.5° | 109.4° |
| O1P | P | O2P | 114.6° | 109.4° |
| O1P | P | C22 | 98.2° | 109.4° |
| O2P | P | C22 | 109.1° | 109.4° |
| P | O2P | HOP | 115.1° | 106.8° |
| P | C22 | N4 | 109.2° | 109.6° |
| P | C22 | C23 | 111.9° | 109.4° |
| P | C22 | H22 | 107.3° | 109.5° |
| C22 | N4 | C30 | 137.2° | 120.0° |
| C22 | N4 | HN4 | 112.9° | 120.0° |
| N4 | C22 | C23 | 107.4° | 109.5° |
| N4 | C22 | H22 | 111.8° | 109.5° |
| C30 | N4 | HN4 | 109.9° | 120.0° |
| N4 | C30 | O5 | 119.0° | 120.0° |
| N4 | C30 | O6 | 117.2° | 120.0° |
| C23 | C22 | H22 | 109.2° | 109.4° |
| C22 | C23 | C24 | 117.8° | 109.5° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C22 | C23 | H232 | 109.2° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.5° |
| C24 | C23 | H232 | 109.2° | 109.5° |
| C23 | C24 | C25 | 121.8° | 120.0° |
| C23 | C24 | C26 | 117.4° | 120.0° |
| H231 | C23 | H232 | 100.9° | 109.5° |
| C25 | C24 | C26 | 120.8° | 120.0° |
| C24 | C25 | C27 | 119.7° | 120.0° |
| C24 | C25 | H25 | 122.0° | 120.0° |
| C24 | C26 | C28 | 118.9° | 119.9° |
| C24 | C26 | H26 | 118.8° | 120.0° |
| C27 | C25 | H25 | 118.3° | 120.0° |
| C25 | C27 | C29 | 121.2° | 120.0° |
| C25 | C27 | H27 | 118.0° | 120.0° |
| C28 | C26 | H26 | 122.3° | 120.0° |
| C26 | C28 | C29 | 120.8° | 120.0° |
| C26 | C28 | H28 | 120.4° | 120.0° |
| C29 | C27 | H27 | 120.9° | 119.9° |
| C27 | C29 | C28 | 118.6° | 120.0° |
| C27 | C29 | H29 | 121.0° | 120.0° |
| C29 | C28 | H28 | 118.8° | 120.0° |
| C28 | C29 | H29 | 120.5° | 120.0° |
| O5 | C30 | O6 | 122.1° | 120.0° |
| C30 | O6 | C31 | 126.0° | 120.0° |
| O6 | C31 | C32 | 122.1° | 109.5° |
| O6 | C31 | H311 | 107.7° | 109.5° |
| O6 | C31 | H312 | 107.7° | 109.5° |
| C32 | C31 | H311 | 107.7° | 109.4° |
| C32 | C31 | H312 | 107.7° | 109.4° |
| C31 | C32 | C33 | 127.5° | 120.0° |
| C31 | C32 | C37 | 115.3° | 120.0° |
| H311 | C31 | H312 | 102.2° | 109.5° |
| C33 | C32 | C37 | 117.1° | 120.0° |
| C32 | C33 | C34 | 124.7° | 120.0° |
| C32 | C33 | H33 | 117.4° | 120.0° |
| C32 | C37 | C36 | 123.5° | 120.0° |
| C32 | C37 | H37 | 115.3° | 120.0° |
| C34 | C33 | H33 | 117.9° | 120.1° |
| C33 | C34 | C35 | 117.2° | 120.1° |
| C33 | C34 | H34 | 119.9° | 120.0° |
| C35 | C34 | H34 | 122.9° | 119.9° |
| C34 | C35 | C36 | 120.5° | 120.0° |
| C34 | C35 | H35 | 120.3° | 120.0° |
| C36 | C35 | H35 | 119.2° | 120.0° |
| C35 | C36 | C37 | 116.5° | 120.0° |
| C35 | C36 | H36 | 120.9° | 120.0° |
| C37 | C36 | H36 | 122.6° | 120.0° |
| C36 | C37 | H37 | 121.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N1 | HN11 | HN22 | 155.9° | 179.8° |
| N1 | C11 | C1 | N2 | 128.9° | 30.0° |
| N1 | C11 | C1 | C2 | 99.8° | 90.0° |
| N1 | C11 | C1 | O1 | 160.0° | 179.9° |
| N1 | C11 | C1 | H1 | 11.3° | 150.0° |
| HN11 | N1 | C11 | C1 | 21.6° | 180.0° |
| HN11 | N1 | C11 | O1 | 180.0° | 0.0° |
| HN22 | N1 | C11 | C1 | 180.0° | 0.3° |
| HN22 | N1 | C11 | O1 | 21.6° | 179.8° |
| C1 | N2 | C12 | HN2 | 180.0° | 179.9° |
| N2 | C1 | C2 | C11 | 129.8° | 120.0° |
| N2 | C1 | C2 | H1 | 116.9° | 120.1° |
| N2 | C1 | C11 | H1 | 117.6° | 120.0° |
| N2 | C1 | C2 | C3 | 170.9° | 60.0° |
| N2 | C1 | C2 | H21 | 45.7° | 60.0° |
| N2 | C1 | C2 | H22A | 63.8° | 180.0° |
| N2 | C1 | C11 | O1 | 71.1° | 150.0° |
| C1 | N2 | C12 | O2 | 6.2° | 5.0° |
| C1 | N2 | C12 | C20 | 177.9° | 174.9° |
| C12 | N2 | C1 | C2 | 141.1° | 150.0° |
| C12 | N2 | C1 | C11 | 85.8° | 90.1° |
| C12 | N2 | C1 | H1 | 29.0° | 29.9° |
| N2 | C12 | O2 | C20 | 175.9° | 179.9° |
| N2 | C12 | C20 | C13 | 128.4° | 144.9° |
| N2 | C12 | C20 | C21 | 114.4° | 95.1° |
| N2 | C12 | C20 | H20 | 9.8° | 24.9° |
| HN2 | N2 | C1 | C2 | 38.9° | 29.9° |
| HN2 | N2 | C1 | C11 | 94.2° | 90.0° |
| HN2 | N2 | C1 | H1 | 150.9° | 150.0° |
| HN2 | N2 | C12 | O2 | 173.7° | 174.9° |
| HN2 | N2 | C12 | C20 | 2.2° | 5.2° |
| C2 | C1 | C11 | H1 | 111.1° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.1° |
| C1 | C2 | C3 | H22A | 125.3° | 120.0° |
| C1 | C2 | H21 | H22A | 115.5° | 120.0° |
| C1 | C2 | C3 | C4 | 95.9° | 90.2° |
| C1 | C2 | C3 | C5 | 84.8° | 90.0° |
| C2 | C1 | C11 | O1 | 60.1° | 90.0° |
| C11 | C1 | C2 | C3 | 59.3° | 180.0° |
| C11 | C1 | C2 | H21 | 175.5° | 60.0° |
| C11 | C1 | C2 | H22A | 66.0° | 60.0° |
| H1 | C1 | C2 | C3 | 54.0° | 60.0° |
| H1 | C1 | C2 | H21 | 71.3° | 179.9° |
| H1 | C1 | C2 | H22A | 179.3° | 60.0° |
| H1 | C1 | C11 | O1 | 171.3° | 29.9° |
| C3 | C2 | H21 | H22A | 115.4° | 119.9° |
| C2 | C3 | C4 | C5 | 179.5° | 179.8° |
| C2 | C3 | C4 | C6 | 179.9° | 179.8° |
| C2 | C3 | C4 | C7 | 1.6° | 0.7° |
| C2 | C3 | C5 | N3 | 179.1° | 180.0° |
| C2 | C3 | C5 | H5 | 1.0° | 0.0° |
| H21 | C2 | C3 | C4 | 29.4° | 149.7° |
| H21 | C2 | C3 | C5 | 149.9° | 30.1° |
| H22A | C2 | C3 | C4 | 138.8° | 29.8° |
| H22A | C2 | C3 | C5 | 40.5° | 150.0° |
| C3 | C4 | C6 | C7 | 178.8° | 179.3° |
| C4 | C3 | C5 | N3 | 1.5° | 0.2° |
| C4 | C3 | C5 | H5 | 178.4° | 179.8° |
| C3 | C4 | C6 | N3 | 0.3° | 0.3° |
| C3 | C4 | C6 | C8 | 178.8° | 179.9° |
| C3 | C4 | C7 | C9 | 176.8° | 179.7° |
| C3 | C4 | C7 | H7 | 3.2° | 0.6° |
| C5 | C3 | C4 | C6 | 0.7° | 0.3° |
| C5 | C3 | C4 | C7 | 177.8° | 179.5° |
| C3 | C5 | N3 | H5 | 180.0° | 180.0° |
| C3 | C5 | N3 | C6 | 1.6° | 0.0° |
| C3 | C5 | N3 | HN3 | 178.4° | 180.0° |
| C4 | C6 | N3 | C5 | 1.2° | 0.2° |
| C4 | C6 | N3 | C8 | 178.9° | 179.8° |
| C4 | C6 | N3 | HN3 | 178.9° | 179.8° |
| C6 | C4 | C7 | C9 | 1.5° | 0.6° |
| C6 | C4 | C7 | H7 | 178.5° | 179.7° |
| C4 | C6 | C8 | C10 | 1.3° | 0.2° |
| C4 | C6 | C8 | H8 | 178.7° | 179.8° |
| C7 | C4 | C6 | N3 | 179.1° | 179.6° |
| C7 | C4 | C6 | C8 | 0.0° | 0.5° |
| C4 | C7 | C9 | H7 | 180.0° | 179.6° |
| C4 | C7 | C9 | C10 | 1.7° | 0.4° |
| C4 | C7 | C9 | H9 | 178.2° | 179.7° |
| C5 | N3 | C6 | HN3 | 180.0° | 180.0° |
| C5 | N3 | C6 | C8 | 177.8° | 180.0° |
| H5 | C5 | N3 | C6 | 178.3° | 180.0° |
| H5 | C5 | N3 | HN3 | 1.6° | 0.0° |
| N3 | C6 | C8 | C10 | 177.5° | 180.0° |
| N3 | C6 | C8 | H8 | 2.5° | 0.0° |
| HN3 | N3 | C6 | C8 | 2.2° | 0.0° |
| C6 | C8 | C10 | H8 | 180.0° | 180.0° |
| C6 | C8 | C10 | C9 | 1.1° | 0.0° |
| C6 | C8 | C10 | H10 | 178.8° | 180.0° |
| C7 | C9 | C10 | C8 | 0.4° | 0.1° |
| C7 | C9 | C10 | H9 | 180.0° | 179.9° |
| C7 | C9 | C10 | H10 | 179.6° | 179.9° |
| H7 | C7 | C9 | C10 | 178.3° | 179.9° |
| H7 | C7 | C9 | H9 | 1.7° | 0.1° |
| C8 | C10 | C9 | H10 | 180.0° | 180.0° |
| C8 | C10 | C9 | H9 | 179.5° | 180.0° |
| H8 | C8 | C10 | C9 | 178.9° | 180.0° |
| H8 | C8 | C10 | H10 | 1.2° | 0.0° |
| H9 | C9 | C10 | H10 | 0.4° | 0.0° |
| O2 | C12 | C20 | C13 | 55.4° | 35.0° |
| O2 | C12 | C20 | C21 | 61.8° | 84.9° |
| O2 | C12 | C20 | H20 | 174.0° | 155.1° |
| C12 | C20 | C13 | C21 | 116.8° | 120.0° |
| C12 | C20 | C13 | H20 | 119.0° | 120.1° |
| C12 | C20 | C13 | C38 | 70.8° | 62.5° |
| C12 | C20 | C13 | H131 | 163.9° | 177.5° |
| C12 | C20 | C13 | H132 | 54.4° | 57.5° |
| C12 | C20 | C21 | H20 | 118.8° | 120.0° |
| C12 | C20 | C21 | P | 157.6° | 180.0° |
| C12 | C20 | C21 | H211 | 32.4° | 60.0° |
| C12 | C20 | C21 | H212 | 77.1° | 60.0° |
| C20 | C13 | C38 | H131 | 125.2° | 120.0° |
| C20 | C13 | C38 | H132 | 125.2° | 120.0° |
| C20 | C13 | H131 | H132 | 117.0° | 120.0° |
| C13 | C20 | C21 | H20 | 118.5° | 120.0° |
| C20 | C13 | C38 | C39 | 67.0° | 174.9° |
| C20 | C13 | C38 | H381 | 167.7° | 65.1° |
| C20 | C13 | C38 | H382 | 58.2° | 55.0° |
| C13 | C20 | C21 | P | 79.6° | 60.0° |
| C13 | C20 | C21 | H211 | 155.1° | 180.0° |
| C13 | C20 | C21 | H212 | 45.7° | 60.0° |
| C38 | C13 | H131 | H132 | 117.1° | 120.0° |
| C13 | C38 | C39 | C14 | 152.6° | 180.0° |
| C38 | C13 | C20 | C21 | 172.4° | 177.5° |
| C38 | C13 | C20 | H20 | 48.2° | 57.6° |
| C13 | C38 | C39 | H381 | 125.3° | 120.1° |
| C13 | C38 | C39 | H382 | 125.2° | 120.0° |
| C13 | C38 | H381 | H382 | 112.4° | 120.1° |
| C13 | C38 | C39 | H391 | 27.3° | 60.0° |
| C13 | C38 | C39 | H392 | 82.2° | 60.0° |
| H131 | C13 | C20 | C21 | 47.2° | 57.5° |
| H131 | C13 | C20 | H20 | 77.1° | 62.4° |
| H131 | C13 | C38 | C39 | 58.2° | 54.9° |
| H131 | C13 | C38 | H381 | 67.1° | 175.0° |
| H131 | C13 | C38 | H382 | 176.6° | 65.0° |
| H132 | C13 | C20 | C21 | 62.4° | 62.5° |
| H132 | C13 | C20 | H20 | 173.4° | 177.5° |
| H132 | C13 | C38 | C39 | 167.7° | 65.1° |
| H132 | C13 | C38 | H381 | 42.5° | 54.9° |
| H132 | C13 | C38 | H382 | 67.1° | 175.0° |
| C15 | C14 | C19 | C39 | 168.9° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 3.5° | 0.0° |
| C14 | C15 | C16 | H16 | 176.6° | 180.0° |
| C15 | C14 | C19 | C18 | 3.4° | 0.5° |
| C15 | C14 | C19 | H19 | 176.6° | 180.0° |
| C15 | C14 | C39 | C38 | 170.1° | 90.0° |
| C15 | C14 | C39 | H391 | 64.6° | 30.1° |
| C15 | C14 | C39 | H392 | 44.8° | 150.0° |
| C19 | C14 | C15 | C16 | 4.2° | 0.2° |
| C19 | C14 | C15 | H15 | 175.7° | 179.7° |
| C14 | C19 | C18 | C17 | 2.0° | 0.5° |
| C14 | C19 | C18 | H19 | 179.9° | 179.6° |
| C14 | C19 | C18 | H18 | 178.0° | 179.8° |
| C19 | C14 | C39 | C38 | 0.2° | 90.2° |
| C19 | C14 | C39 | H391 | 125.5° | 149.7° |
| C19 | C14 | C39 | H392 | 125.1° | 29.8° |
| C39 | C14 | C15 | C16 | 175.6° | 180.0° |
| C39 | C14 | C15 | H15 | 4.4° | 0.1° |
| C39 | C14 | C19 | C18 | 172.3° | 179.7° |
| C39 | C14 | C19 | H19 | 7.7° | 0.2° |
| C14 | C39 | C38 | H391 | 125.3° | 120.0° |
| C14 | C39 | C38 | H392 | 125.3° | 120.0° |
| C14 | C39 | C38 | H381 | 27.3° | 59.9° |
| C14 | C39 | C38 | H382 | 82.2° | 60.0° |
| C14 | C39 | H391 | H392 | 111.0° | 119.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.9° | 0.0° |
| C15 | C16 | C17 | H17 | 178.1° | 179.9° |
| H15 | C15 | C16 | C17 | 176.5° | 180.0° |
| H15 | C15 | C16 | H16 | 3.5° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.3° | 0.2° |
| C16 | C17 | C18 | H18 | 178.7° | 180.0° |
| H16 | C16 | C17 | C18 | 178.1° | 180.0° |
| H16 | C16 | C17 | H17 | 1.9° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | H19 | 177.9° | 180.0° |
| H17 | C17 | C18 | C19 | 178.7° | 179.8° |
| H17 | C17 | C18 | H18 | 1.3° | 0.1° |
| H18 | C18 | C19 | H19 | 2.0° | 0.2° |
| C20 | C21 | P | H211 | 125.2° | 120.0° |
| C20 | C21 | P | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 111.1° | 120.0° |
| C20 | C21 | P | O1P | 53.0° | 53.2° |
| C20 | C21 | P | O2P | 71.5° | 66.8° |
| C20 | C21 | P | C22 | 158.6° | 173.2° |
| H20 | C20 | C21 | P | 38.8° | 60.0° |
| H20 | C20 | C21 | H211 | 86.4° | 60.1° |
| H20 | C20 | C21 | H212 | 164.1° | 179.9° |
| C39 | C38 | H381 | H382 | 112.4° | 119.9° |
| C38 | C39 | H391 | H392 | 111.0° | 120.0° |
| H381 | C38 | C39 | H391 | 98.0° | 180.0° |
| H381 | C38 | C39 | H392 | 152.6° | 60.1° |
| H382 | C38 | C39 | H391 | 152.5° | 60.0° |
| H382 | C38 | C39 | H392 | 43.1° | 180.0° |
| P | C21 | H211 | H212 | 111.1° | 119.9° |
| C21 | P | O1P | O2P | 124.9° | 120.0° |
| C21 | P | O1P | C22 | 119.7° | 120.1° |
| C21 | P | O2P | C22 | 133.5° | 120.1° |
| C21 | P | O2P | HOP | 180.0° | 60.0° |
| C21 | P | C22 | N4 | 44.8° | 175.1° |
| C21 | P | C22 | C23 | 163.6° | 64.9° |
| C21 | P | C22 | H22 | 76.6° | 55.0° |
| H211 | C21 | P | O1P | 72.2° | 66.9° |
| H211 | C21 | P | O2P | 163.2° | 173.2° |
| H211 | C21 | P | C22 | 33.4° | 53.2° |
| H212 | C21 | P | O1P | 178.3° | 173.2° |
| H212 | C21 | P | O2P | 53.8° | 53.2° |
| H212 | C21 | P | C22 | 76.1° | 66.8° |
| O1P | P | O2P | C22 | 109.0° | 119.9° |
| O1P | P | O2P | HOP | 62.5° | 180.0° |
| O1P | P | C22 | N4 | 62.8° | 55.0° |
| O1P | P | C22 | C23 | 56.0° | 175.0° |
| O1P | P | C22 | H22 | 175.8° | 65.1° |
| O2P | P | C22 | N4 | 177.5° | 64.9° |
| O2P | P | C22 | C23 | 63.7° | 55.1° |
| O2P | P | C22 | H22 | 56.1° | 175.0° |
| C22 | P | O2P | HOP | 46.5° | 60.1° |
| P | C22 | N4 | C23 | 121.6° | 120.0° |
| P | C22 | N4 | H22 | 118.6° | 120.1° |
| P | C22 | N4 | C30 | 151.7° | 90.0° |
| P | C22 | N4 | HN4 | 28.4° | 90.0° |
| P | C22 | C23 | H22 | 118.7° | 120.0° |
| P | C22 | C23 | C24 | 157.1° | 174.6° |
| P | C22 | C23 | H231 | 31.8° | 54.5° |
| P | C22 | C23 | H232 | 77.7° | 65.5° |
| C22 | N4 | C30 | HN4 | 180.0° | 180.0° |
| N4 | C22 | C23 | H22 | 121.4° | 120.0° |
| N4 | C22 | C23 | C24 | 83.0° | 65.4° |
| N4 | C22 | C23 | H231 | 151.7° | 174.6° |
| N4 | C22 | C23 | H232 | 42.2° | 54.6° |
| C22 | N4 | C30 | O5 | 169.7° | 0.1° |
| C22 | N4 | C30 | O6 | 4.2° | 180.0° |
| C30 | N4 | C22 | C23 | 86.7° | 150.0° |
| C30 | N4 | C22 | H22 | 33.0° | 30.0° |
| N4 | C30 | O5 | O6 | 164.8° | 179.9° |
| N4 | C30 | O6 | C31 | 163.3° | 180.0° |
| HN4 | N4 | C22 | C23 | 93.2° | 30.0° |
| HN4 | N4 | C22 | H22 | 147.0° | 149.9° |
| HN4 | N4 | C30 | O5 | 10.2° | 180.0° |
| HN4 | N4 | C30 | O6 | 175.8° | 0.1° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 114.9° | 120.0° |
| C22 | C23 | C24 | C25 | 88.0° | 94.6° |
| C22 | C23 | C24 | C26 | 88.6° | 85.7° |
| H22 | C22 | C23 | C24 | 38.4° | 54.6° |
| H22 | C22 | C23 | H231 | 86.9° | 65.4° |
| H22 | C22 | C23 | H232 | 163.7° | 174.6° |
| C24 | C23 | H231 | H232 | 114.9° | 120.0° |
| C23 | C24 | C25 | C26 | 176.4° | 179.7° |
| C23 | C24 | C25 | C27 | 172.9° | 180.0° |
| C23 | C24 | C25 | H25 | 7.1° | 0.0° |
| C23 | C24 | C26 | C28 | 174.6° | 179.8° |
| C23 | C24 | C26 | H26 | 5.4° | 0.3° |
| H231 | C23 | C24 | C25 | 146.7° | 25.4° |
| H231 | C23 | C24 | C26 | 36.8° | 154.3° |
| H232 | C23 | C24 | C25 | 37.3° | 145.4° |
| H232 | C23 | C24 | C26 | 146.2° | 34.3° |
| C24 | C25 | C27 | H25 | 180.0° | 180.0° |
| C25 | C24 | C26 | C28 | 1.9° | 0.5° |
| C25 | C24 | C26 | H26 | 178.1° | 180.0° |
| C24 | C25 | C27 | C29 | 1.8° | 0.0° |
| C24 | C25 | C27 | H27 | 178.2° | 180.0° |
| C26 | C24 | C25 | C27 | 3.5° | 0.2° |
| C26 | C24 | C25 | H25 | 176.6° | 179.7° |
| C24 | C26 | C28 | H26 | 180.0° | 179.5° |
| C24 | C26 | C28 | C29 | 1.3° | 0.5° |
| C24 | C26 | C28 | H28 | 178.7° | 179.7° |
| C25 | C27 | C29 | H27 | 180.0° | 180.0° |
| C25 | C27 | C29 | C28 | 1.3° | 0.0° |
| C25 | C27 | C29 | H29 | 178.6° | 179.9° |
| H25 | C25 | C27 | C29 | 178.2° | 180.0° |
| H25 | C25 | C27 | H27 | 1.8° | 0.0° |
| C26 | C28 | C29 | C27 | 2.9° | 0.2° |
| C26 | C28 | C29 | H28 | 180.0° | 179.8° |
| C26 | C28 | C29 | H29 | 177.1° | 179.8° |
| H26 | C26 | C28 | C29 | 178.7° | 180.0° |
| H26 | C26 | C28 | H28 | 1.3° | 0.2° |
| C27 | C29 | C28 | H29 | 180.0° | 179.9° |
| C27 | C29 | C28 | H28 | 177.1° | 180.0° |
| H27 | C27 | C29 | C28 | 178.7° | 180.0° |
| H27 | C27 | C29 | H29 | 1.4° | 0.1° |
| H28 | C28 | C29 | H29 | 2.9° | 0.1° |
| O5 | C30 | O6 | C31 | 1.7° | 0.0° |
| C30 | O6 | C31 | C32 | 33.7° | 180.0° |
| C30 | O6 | C31 | H311 | 91.6° | 60.0° |
| C30 | O6 | C31 | H312 | 158.9° | 60.0° |
| O6 | C31 | C32 | H311 | 125.3° | 120.0° |
| O6 | C31 | C32 | H312 | 125.3° | 120.0° |
| O6 | C31 | H311 | H312 | 113.3° | 120.0° |
| O6 | C31 | C32 | C33 | 43.3° | 90.0° |
| O6 | C31 | C32 | C37 | 132.4° | 90.2° |
| C32 | C31 | H311 | H312 | 113.2° | 119.9° |
| C31 | C32 | C33 | C37 | 175.6° | 179.8° |
| C31 | C32 | C33 | C34 | 169.4° | 180.0° |
| C31 | C32 | C33 | H33 | 10.6° | 0.1° |
| C31 | C32 | C37 | C36 | 174.6° | 179.8° |
| C31 | C32 | C37 | H37 | 5.3° | 0.1° |
| H311 | C31 | C32 | C33 | 168.6° | 30.1° |
| H311 | C31 | C32 | C37 | 7.1° | 149.8° |
| H312 | C31 | C32 | C33 | 81.9° | 150.0° |
| H312 | C31 | C32 | C37 | 102.4° | 29.8° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 5.0° | 0.1° |
| C32 | C33 | C34 | H34 | 175.1° | 180.0° |
| C33 | C32 | C37 | C36 | 1.5° | 0.4° |
| C33 | C32 | C37 | H37 | 178.5° | 180.0° |
| C37 | C32 | C33 | C34 | 6.2° | 0.2° |
| C37 | C32 | C33 | H33 | 173.8° | 179.8° |
| C32 | C37 | C36 | C35 | 3.9° | 0.3° |
| C32 | C37 | C36 | H37 | 180.0° | 179.7° |
| C32 | C37 | C36 | H36 | 176.1° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 1.1° | 0.1° |
| C33 | C34 | C35 | H35 | 179.0° | 180.0° |
| H33 | C33 | C34 | C35 | 175.0° | 180.0° |
| H33 | C33 | C34 | H34 | 4.9° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 5.1° | 0.1° |
| C34 | C35 | C36 | H36 | 174.9° | 180.0° |
| H34 | C34 | C35 | C36 | 178.9° | 180.0° |
| H34 | C34 | C35 | H35 | 1.0° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | H37 | 176.1° | 180.0° |
| H35 | C35 | C36 | C37 | 174.9° | 179.8° |
| H35 | C35 | C36 | H36 | 5.1° | 0.1° |
| H36 | C36 | C37 | H37 | 3.9° | 0.1° |
