RX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C19 | sing | 1.48Å | 1.50Å | Aromatic |
| C4 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C33 | C7 | sing | 1.51Å | 1.48Å | |
| O8 | C7 | doub | 1.21Å | 1.21Å | |
| C7 | N9 | sing | 1.35Å | 1.41Å | |
| N9 | C13 | sing | 1.47Å | 1.49Å | |
| N9 | C14 | sing | 1.47Å | 1.48Å | |
| C14 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C23 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.51Å | 1.51Å | |
| C15 | O16 | sing | 1.43Å | 1.41Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| C19 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| O27 | C26 | sing | 1.43Å | 1.42Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | O27 | sing | 1.43Å | 1.43Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.54Å | 1.51Å | |
| C29 | C33 | sing | 1.55Å | 1.52Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| O34 | C30 | sing | 1.43Å | 1.40Å | |
| C30 | C31 | sing | 1.54Å | 1.54Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| N35 | C31 | sing | 1.47Å | 1.49Å | |
| C31 | C32 | sing | 1.54Å | 1.51Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.55Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| N35 | HN35 | sing | 1.01Å | 1.00Å | |
| N35 | HN3A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 118.3° | 119.7° |
| C2 | C1 | C19 | 121.1° | 120.1° |
| C1 | C2 | C4 | 121.7° | 119.9° |
| C1 | C2 | H2 | 119.1° | 120.1° |
| C3 | C1 | C19 | 120.4° | 120.2° |
| C1 | C3 | C5 | 120.2° | 119.9° |
| C1 | C3 | H3 | 119.9° | 120.0° |
| C1 | C19 | C17 | 127.6° | 120.1° |
| C1 | C19 | C21 | 113.7° | 120.2° |
| C4 | C2 | H2 | 119.2° | 120.0° |
| C2 | C4 | C6 | 119.8° | 120.1° |
| C2 | C4 | H4 | 120.1° | 119.9° |
| C5 | C3 | H3 | 119.9° | 120.0° |
| C3 | C5 | C6 | 121.2° | 120.1° |
| C3 | C5 | H5 | 119.4° | 119.9° |
| C6 | C4 | H4 | 120.1° | 120.0° |
| C4 | C6 | C5 | 118.7° | 120.2° |
| C4 | C6 | H6 | 120.6° | 119.9° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | H6 | 120.7° | 119.9° |
| C33 | C7 | O8 | 114.3° | 120.0° |
| C33 | C7 | N9 | 120.6° | 120.0° |
| C7 | C33 | C29 | 114.2° | 110.7° |
| C7 | C33 | C32 | 113.7° | 110.8° |
| C7 | C33 | H33 | 102.0° | 110.8° |
| O8 | C7 | N9 | 124.9° | 120.0° |
| C7 | N9 | C13 | 116.4° | 120.7° |
| C7 | N9 | C14 | 117.1° | 120.6° |
| C13 | N9 | C14 | 114.8° | 118.7° |
| N9 | C13 | C12 | 113.8° | 108.8° |
| N9 | C13 | H13 | 108.0° | 109.6° |
| N9 | C13 | H13A | 108.0° | 109.6° |
| N9 | C14 | C10 | 109.7° | 108.8° |
| N9 | C14 | H14 | 109.4° | 109.6° |
| N9 | C14 | H14A | 109.4° | 109.6° |
| C14 | C10 | C11 | 110.6° | 109.3° |
| C14 | C10 | H10 | 109.1° | 109.3° |
| C14 | C10 | H10A | 109.1° | 109.7° |
| C10 | C14 | H14 | 109.4° | 109.6° |
| C10 | C14 | H14A | 109.4° | 109.6° |
| C11 | C10 | H10 | 109.1° | 109.6° |
| C11 | C10 | H10A | 109.1° | 109.5° |
| C10 | C11 | C12 | 108.0° | 109.4° |
| C10 | C11 | H11 | 110.0° | 109.5° |
| C10 | C11 | H11A | 110.0° | 109.5° |
| H10 | C10 | H10A | 109.8° | 109.5° |
| C12 | C11 | H11 | 110.0° | 109.5° |
| C12 | C11 | H11A | 110.0° | 109.5° |
| C11 | C12 | C13 | 107.2° | 109.4° |
| C11 | C12 | C15 | 112.2° | 109.5° |
| C11 | C12 | H12 | 110.7° | 109.5° |
| H11 | C11 | H11A | 108.9° | 109.4° |
| C13 | C12 | C15 | 113.5° | 109.2° |
| C13 | C12 | H12 | 109.3° | 109.7° |
| C12 | C13 | H13 | 108.0° | 109.6° |
| C12 | C13 | H13A | 108.1° | 109.6° |
| C15 | C12 | H12 | 104.0° | 109.5° |
| C12 | C15 | C23 | 117.1° | 109.4° |
| C12 | C15 | C17 | 108.7° | 109.5° |
| C12 | C15 | O16 | 108.7° | 109.5° |
| H13 | C13 | H13A | 110.9° | 109.7° |
| H14 | C14 | H14A | 109.5° | 109.7° |
| C23 | C15 | C17 | 111.6° | 109.5° |
| C23 | C15 | O16 | 98.7° | 109.5° |
| C15 | C23 | C24 | 114.7° | 109.5° |
| C15 | C23 | H23 | 107.8° | 109.5° |
| C15 | C23 | H23A | 107.8° | 109.5° |
| C17 | C15 | O16 | 111.7° | 109.5° |
| C15 | C17 | C19 | 123.7° | 120.1° |
| C15 | C17 | C18 | 118.0° | 120.0° |
| C15 | O16 | HO16 | 109.5° | 114.0° |
| C19 | C17 | C18 | 118.3° | 119.9° |
| C17 | C19 | C21 | 118.7° | 119.7° |
| C17 | C18 | C20 | 122.2° | 120.1° |
| C17 | C18 | H18 | 118.9° | 120.0° |
| C20 | C18 | H18 | 118.9° | 119.9° |
| C18 | C20 | C22 | 119.4° | 120.2° |
| C18 | C20 | H20 | 120.3° | 119.9° |
| C19 | C21 | C22 | 122.8° | 119.9° |
| C19 | C21 | H21 | 118.6° | 120.0° |
| C22 | C20 | H20 | 120.3° | 119.9° |
| C20 | C22 | C21 | 118.7° | 120.1° |
| C20 | C22 | H22 | 120.7° | 119.9° |
| C22 | C21 | H21 | 118.6° | 120.1° |
| C21 | C22 | H22 | 120.7° | 120.0° |
| C24 | C23 | H23 | 107.8° | 109.5° |
| C24 | C23 | H23A | 107.8° | 109.5° |
| C23 | C24 | C25 | 111.3° | 109.5° |
| C23 | C24 | H24 | 108.9° | 109.5° |
| C23 | C24 | H24A | 108.9° | 109.5° |
| H23 | C23 | H23A | 111.1° | 109.5° |
| C25 | C24 | H24 | 108.8° | 109.5° |
| C25 | C24 | H24A | 108.8° | 109.5° |
| C24 | C25 | C26 | 108.2° | 109.5° |
| C24 | C25 | H25 | 109.9° | 109.5° |
| C24 | C25 | H25A | 109.9° | 109.5° |
| H24 | C24 | H24A | 110.1° | 109.4° |
| C26 | C25 | H25 | 109.9° | 109.5° |
| C26 | C25 | H25A | 109.9° | 109.5° |
| C25 | C26 | O27 | 108.1° | 109.5° |
| C25 | C26 | H26 | 109.9° | 109.5° |
| C25 | C26 | H26A | 110.0° | 109.5° |
| H25 | C25 | H25A | 109.0° | 109.5° |
| O27 | C26 | H26 | 110.0° | 109.5° |
| O27 | C26 | H26A | 110.0° | 109.5° |
| C26 | O27 | C28 | 113.0° | 114.0° |
| H26 | C26 | H26A | 109.0° | 109.5° |
| O27 | C28 | H28 | 109.5° | 109.4° |
| O27 | C28 | H28A | 109.5° | 109.5° |
| O27 | C28 | H28B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| C30 | C29 | C33 | 100.9° | 104.2° |
| C30 | C29 | H29 | 112.4° | 110.5° |
| C30 | C29 | H29A | 112.4° | 110.6° |
| C29 | C30 | O34 | 102.3° | 110.0° |
| C29 | C30 | C31 | 108.0° | 106.6° |
| C29 | C30 | H30 | 115.5° | 110.0° |
| C33 | C29 | H29 | 112.4° | 110.5° |
| C33 | C29 | H29A | 112.4° | 110.5° |
| C29 | C33 | C32 | 106.3° | 102.7° |
| C29 | C33 | H33 | 110.0° | 110.8° |
| H29 | C29 | H29A | 106.4° | 110.5° |
| O34 | C30 | C31 | 111.1° | 110.0° |
| O34 | C30 | H30 | 112.6° | 110.1° |
| C30 | O34 | HO34 | 109.5° | 114.0° |
| C31 | C30 | H30 | 107.3° | 110.0° |
| C30 | C31 | N35 | 114.9° | 110.0° |
| C30 | C31 | C32 | 104.9° | 106.6° |
| C30 | C31 | H31 | 110.0° | 110.1° |
| N35 | C31 | C32 | 112.2° | 110.0° |
| N35 | C31 | H31 | 102.3° | 110.0° |
| C31 | N35 | HN35 | 109.5° | 111.0° |
| C31 | N35 | HN3A | 109.5° | 111.0° |
| C32 | C31 | H31 | 112.8° | 110.0° |
| C31 | C32 | C33 | 97.7° | 104.2° |
| C31 | C32 | H32 | 113.6° | 110.5° |
| C31 | C32 | H32A | 113.6° | 110.5° |
| C33 | C32 | H32 | 113.6° | 110.5° |
| C33 | C32 | H32A | 113.6° | 110.4° |
| C32 | C33 | H33 | 110.5° | 110.8° |
| H32 | C32 | H32A | 105.0° | 110.6° |
| HN35 | N35 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C19 | 174.6° | 179.7° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C5 | 2.3° | 0.3° |
| C2 | C1 | C3 | H3 | 177.7° | 179.7° |
| C1 | C2 | C4 | C6 | 0.5° | 0.0° |
| C1 | C2 | C4 | H4 | 179.5° | 180.0° |
| C2 | C1 | C19 | C17 | 68.2° | 113.1° |
| C2 | C1 | C19 | C21 | 109.8° | 67.0° |
| C3 | C1 | C2 | C4 | 1.9° | 0.3° |
| C3 | C1 | C2 | H2 | 178.1° | 179.7° |
| C1 | C3 | C5 | H3 | 180.0° | 180.0° |
| C1 | C3 | C5 | C6 | 1.3° | 0.0° |
| C1 | C3 | C5 | H5 | 178.7° | 180.0° |
| C3 | C1 | C19 | C17 | 117.4° | 67.2° |
| C3 | C1 | C19 | C21 | 64.6° | 112.7° |
| C19 | C1 | C2 | C4 | 176.5° | 180.0° |
| C19 | C1 | C2 | H2 | 3.6° | 0.1° |
| C19 | C1 | C3 | C5 | 176.9° | 180.0° |
| C19 | C1 | C3 | H3 | 3.1° | 0.1° |
| C1 | C19 | C17 | C15 | 1.3° | 0.0° |
| C1 | C19 | C17 | C21 | 177.9° | 179.9° |
| C1 | C19 | C17 | C18 | 179.6° | 179.7° |
| C1 | C19 | C21 | C22 | 179.6° | 180.0° |
| C1 | C19 | C21 | H21 | 0.4° | 0.1° |
| C2 | C4 | C6 | H4 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 0.7° | 0.3° |
| C2 | C4 | C6 | H6 | 179.3° | 180.0° |
| H2 | C2 | C4 | C6 | 179.6° | 180.0° |
| H2 | C2 | C4 | H4 | 0.4° | 0.0° |
| C3 | C5 | C6 | C4 | 0.3° | 0.3° |
| C3 | C5 | C6 | H5 | 180.0° | 180.0° |
| C3 | C5 | C6 | H6 | 179.7° | 180.0° |
| H3 | C3 | C5 | C6 | 178.7° | 180.0° |
| H3 | C3 | C5 | H5 | 1.3° | 0.0° |
| C4 | C6 | C5 | H6 | 180.0° | 179.7° |
| C4 | C6 | C5 | H5 | 179.7° | 179.7° |
| H4 | C4 | C6 | C5 | 179.3° | 179.7° |
| H4 | C4 | C6 | H6 | 0.7° | 0.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| C33 | C7 | O8 | N9 | 174.9° | 180.0° |
| C33 | C7 | N9 | C13 | 27.5° | 175.3° |
| C33 | C7 | N9 | C14 | 168.7° | 4.4° |
| C7 | C33 | C29 | C30 | 163.0° | 156.3° |
| C7 | C33 | C29 | C32 | 126.2° | 118.3° |
| C7 | C33 | C29 | H33 | 114.0° | 123.3° |
| C7 | C33 | C29 | H29 | 77.0° | 85.1° |
| C7 | C33 | C29 | H29A | 43.0° | 37.5° |
| C7 | C33 | C32 | C31 | 174.2° | 156.2° |
| C7 | C33 | C32 | H33 | 114.1° | 123.4° |
| C7 | C33 | C32 | H32 | 54.2° | 37.6° |
| C7 | C33 | C32 | H32A | 65.8° | 85.1° |
| O8 | C7 | N9 | C13 | 157.9° | 4.7° |
| O8 | C7 | N9 | C14 | 16.7° | 175.7° |
| O8 | C7 | C33 | C29 | 79.0° | 107.0° |
| O8 | C7 | C33 | C32 | 43.3° | 6.3° |
| O8 | C7 | C33 | H33 | 162.3° | 129.7° |
| C7 | N9 | C13 | C14 | 142.0° | 179.7° |
| C7 | N9 | C14 | C10 | 92.8° | 126.4° |
| C7 | N9 | C13 | C12 | 91.6° | 126.4° |
| C7 | N9 | C13 | H13 | 148.4° | 113.9° |
| C7 | N9 | C13 | H13A | 28.4° | 6.5° |
| C7 | N9 | C14 | H14 | 27.3° | 6.6° |
| C7 | N9 | C14 | H14A | 147.2° | 113.9° |
| N9 | C7 | C33 | C29 | 105.8° | 73.0° |
| N9 | C7 | C33 | C32 | 131.9° | 173.7° |
| N9 | C7 | C33 | H33 | 12.8° | 50.3° |
| C13 | N9 | C14 | C10 | 49.0° | 53.3° |
| N9 | C13 | C12 | C11 | 55.4° | 54.7° |
| N9 | C13 | C12 | H13 | 120.0° | 119.8° |
| N9 | C13 | C12 | H13A | 120.0° | 119.8° |
| N9 | C13 | C12 | C15 | 179.9° | 174.6° |
| N9 | C13 | C12 | H12 | 64.6° | 65.4° |
| N9 | C13 | H13 | H13A | 118.2° | 120.3° |
| C13 | N9 | C14 | H14 | 169.0° | 173.1° |
| C13 | N9 | C14 | H14A | 71.0° | 66.5° |
| N9 | C14 | C10 | H14 | 120.0° | 119.8° |
| N9 | C14 | C10 | H14A | 120.0° | 119.8° |
| N9 | C14 | C10 | C11 | 56.5° | 54.6° |
| N9 | C14 | C10 | H10 | 63.5° | 174.5° |
| N9 | C14 | C10 | H10A | 176.5° | 65.4° |
| C14 | N9 | C13 | C12 | 50.4° | 53.3° |
| C14 | N9 | C13 | H13 | 69.6° | 66.5° |
| C14 | N9 | C13 | H13A | 170.4° | 173.1° |
| N9 | C14 | H14 | H14A | 119.9° | 120.4° |
| C14 | C10 | C11 | H10 | 120.0° | 119.8° |
| C14 | C10 | C11 | H10A | 120.0° | 120.1° |
| C14 | C10 | H10 | H10A | 119.6° | 120.2° |
| C14 | C10 | C11 | C12 | 64.7° | 61.6° |
| C14 | C10 | C11 | H11 | 175.3° | 178.4° |
| C14 | C10 | C11 | H11A | 55.3° | 58.5° |
| C10 | C14 | H14 | H14A | 119.9° | 120.3° |
| C11 | C10 | H10 | H10A | 119.5° | 120.1° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 61.8° | 61.6° |
| C10 | C11 | C12 | C15 | 172.9° | 178.7° |
| C10 | C11 | C12 | H12 | 57.3° | 58.6° |
| C11 | C10 | C14 | H14 | 176.5° | 174.4° |
| C11 | C10 | C14 | H14A | 63.5° | 65.2° |
| H10 | C10 | C11 | C12 | 55.3° | 178.7° |
| H10 | C10 | C11 | H11 | 64.7° | 58.6° |
| H10 | C10 | C11 | H11A | 175.3° | 61.3° |
| H10 | C10 | C14 | H14 | 56.5° | 65.7° |
| H10 | C10 | C14 | H14A | 176.5° | 54.7° |
| H10A | C10 | C11 | C12 | 175.3° | 58.6° |
| H10A | C10 | C11 | H11 | 55.3° | 61.5° |
| H10A | C10 | C11 | H11A | 64.7° | 178.6° |
| H10A | C10 | C14 | H14 | 63.5° | 54.4° |
| H10A | C10 | C14 | H14A | 56.5° | 174.8° |
| C12 | C11 | H11 | H11A | 120.6° | 120.0° |
| C11 | C12 | C13 | C15 | 124.5° | 119.8° |
| C11 | C12 | C13 | H12 | 120.0° | 120.1° |
| C11 | C12 | C15 | H12 | 119.6° | 120.1° |
| C11 | C12 | C13 | H13 | 64.6° | 65.0° |
| C11 | C12 | C13 | H13A | 175.4° | 174.5° |
| C11 | C12 | C15 | C23 | 179.3° | 58.9° |
| C11 | C12 | C15 | C17 | 53.2° | 61.0° |
| C11 | C12 | C15 | O16 | 68.6° | 178.9° |
| H11 | C11 | C12 | C13 | 178.1° | 178.3° |
| H11 | C11 | C12 | C15 | 52.9° | 58.7° |
| H11 | C11 | C12 | H12 | 62.7° | 61.4° |
| H11A | C11 | C12 | C13 | 58.2° | 58.4° |
| H11A | C11 | C12 | C15 | 67.1° | 61.3° |
| H11A | C11 | C12 | H12 | 177.3° | 178.6° |
| C13 | C12 | C15 | H12 | 118.7° | 120.1° |
| C12 | C13 | H13 | H13A | 118.3° | 120.4° |
| C13 | C12 | C15 | C23 | 57.6° | 178.7° |
| C13 | C12 | C15 | C17 | 174.9° | 58.7° |
| C13 | C12 | C15 | O16 | 53.1° | 61.3° |
| C15 | C12 | C13 | H13 | 59.9° | 54.8° |
| C15 | C12 | C13 | H13A | 60.1° | 65.6° |
| C12 | C15 | C23 | C17 | 126.1° | 120.0° |
| C12 | C15 | C23 | O16 | 116.3° | 120.0° |
| C12 | C15 | C17 | O16 | 119.9° | 120.0° |
| C12 | C15 | O16 | HO16 | 180.0° | 59.9° |
| C12 | C15 | C17 | C19 | 61.7° | 116.3° |
| C12 | C15 | C17 | C18 | 117.4° | 63.4° |
| C12 | C15 | C23 | C24 | 178.7° | 177.8° |
| C12 | C15 | C23 | H23 | 58.7° | 57.8° |
| C12 | C15 | C23 | H23A | 61.3° | 62.2° |
| H12 | C12 | C13 | H13 | 175.5° | 174.8° |
| H12 | C12 | C13 | H13A | 55.4° | 54.4° |
| H12 | C12 | C15 | C23 | 61.1° | 61.2° |
| H12 | C12 | C15 | C17 | 66.4° | 178.9° |
| H12 | C12 | C15 | O16 | 171.8° | 58.8° |
| C23 | C15 | C17 | O16 | 109.5° | 120.0° |
| C23 | C15 | O16 | HO16 | 57.5° | 60.0° |
| C23 | C15 | C17 | C19 | 68.9° | 123.8° |
| C23 | C15 | C17 | C18 | 112.1° | 56.5° |
| C15 | C23 | C24 | H23 | 120.0° | 120.0° |
| C15 | C23 | C24 | H23A | 120.0° | 120.0° |
| C15 | C23 | H23 | H23A | 117.9° | 120.0° |
| C15 | C23 | C24 | C25 | 165.5° | 180.0° |
| C15 | C23 | C24 | H24 | 74.5° | 60.0° |
| C15 | C23 | C24 | H24A | 45.5° | 60.0° |
| C17 | C15 | O16 | HO16 | 60.0° | 180.0° |
| C15 | C17 | C19 | C18 | 179.1° | 179.7° |
| C15 | C17 | C18 | C20 | 179.3° | 180.0° |
| C15 | C17 | C18 | H18 | 0.6° | 0.0° |
| C15 | C17 | C19 | C21 | 179.2° | 180.0° |
| C17 | C15 | C23 | C24 | 55.2° | 62.2° |
| C17 | C15 | C23 | H23 | 175.2° | 177.8° |
| C17 | C15 | C23 | H23A | 64.8° | 57.8° |
| O16 | C15 | C17 | C19 | 178.4° | 3.8° |
| O16 | C15 | C17 | C18 | 2.6° | 176.5° |
| O16 | C15 | C23 | C24 | 62.4° | 57.8° |
| O16 | C15 | C23 | H23 | 57.6° | 62.2° |
| O16 | C15 | C23 | H23A | 177.6° | 177.8° |
| C19 | C17 | C18 | C20 | 1.5° | 0.3° |
| C19 | C17 | C18 | H18 | 178.5° | 179.7° |
| C17 | C19 | C21 | C22 | 1.4° | 0.1° |
| C17 | C19 | C21 | H21 | 178.6° | 180.0° |
| C17 | C18 | C20 | H18 | 180.0° | 180.0° |
| C18 | C17 | C19 | C21 | 1.7° | 0.3° |
| C17 | C18 | C20 | C22 | 1.0° | 0.0° |
| C17 | C18 | C20 | H20 | 179.0° | 179.9° |
| C18 | C20 | C22 | H20 | 180.0° | 179.9° |
| C18 | C20 | C22 | C21 | 0.6° | 0.4° |
| C18 | C20 | C22 | H22 | 179.4° | 180.0° |
| H18 | C18 | C20 | C22 | 179.0° | 179.9° |
| H18 | C18 | C20 | H20 | 1.0° | 0.1° |
| C19 | C21 | C22 | C20 | 0.8° | 0.4° |
| C19 | C21 | C22 | H21 | 180.0° | 179.9° |
| C19 | C21 | C22 | H22 | 179.2° | 180.0° |
| C20 | C22 | C21 | H22 | 180.0° | 179.6° |
| C20 | C22 | C21 | H21 | 179.2° | 179.7° |
| H20 | C20 | C22 | C21 | 179.4° | 179.8° |
| H20 | C20 | C22 | H22 | 0.6° | 0.1° |
| H21 | C21 | C22 | H22 | 0.9° | 0.1° |
| C24 | C23 | H23 | H23A | 117.9° | 120.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 119.3° | 120.0° |
| C23 | C24 | C25 | C26 | 80.3° | NaN° |
| C23 | C24 | C25 | H25 | 39.7° | 60.0° |
| C23 | C24 | C25 | H25A | 159.7° | 60.0° |
| H23 | C23 | C24 | C25 | 45.5° | 60.0° |
| H23 | C23 | C24 | H24 | 165.5° | 180.0° |
| H23 | C23 | C24 | H24A | 74.5° | 60.0° |
| H23A | C23 | C24 | C25 | 74.5° | 60.0° |
| H23A | C23 | C24 | H24 | 45.5° | 60.0° |
| H23A | C23 | C24 | H24A | 165.5° | 180.0° |
| C25 | C24 | H24 | H24A | 119.2° | 120.0° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 120.5° | 120.0° |
| C24 | C25 | C26 | O27 | 159.4° | 180.0° |
| C24 | C25 | C26 | H26 | 39.4° | 60.0° |
| C24 | C25 | C26 | H26A | 80.6° | 60.0° |
| H24 | C24 | C25 | C26 | 159.7° | 60.0° |
| H24 | C24 | C25 | H25 | 80.3° | 180.0° |
| H24 | C24 | C25 | H25A | 39.7° | 60.0° |
| H24A | C24 | C25 | C26 | 39.7° | 60.0° |
| H24A | C24 | C25 | H25 | 159.7° | 60.0° |
| H24A | C24 | C25 | H25A | 80.3° | 180.0° |
| C26 | C25 | H25 | H25A | 120.5° | 120.0° |
| C25 | C26 | O27 | H26 | 120.0° | 120.0° |
| C25 | C26 | O27 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 120.6° | 120.0° |
| C25 | C26 | O27 | C28 | 138.4° | 180.0° |
| H25 | C25 | C26 | O27 | 80.6° | 60.0° |
| H25 | C25 | C26 | H26 | 159.4° | 180.0° |
| H25 | C25 | C26 | H26A | 39.4° | 60.0° |
| H25A | C25 | C26 | O27 | 39.4° | 60.0° |
| H25A | C25 | C26 | H26 | 80.6° | 60.0° |
| H25A | C25 | C26 | H26A | 159.4° | 180.0° |
| O27 | C26 | H26 | H26A | 120.6° | 120.0° |
| C26 | O27 | C28 | H28 | 180.0° | 180.0° |
| C26 | O27 | C28 | H28A | 60.0° | 60.0° |
| C26 | O27 | C28 | H28B | 60.0° | 60.0° |
| H26 | C26 | O27 | C28 | 101.7° | 60.0° |
| H26A | C26 | O27 | C28 | 18.3° | 60.0° |
| O27 | C28 | H28 | H28A | 120.0° | 120.0° |
| O27 | C28 | H28 | H28B | 120.0° | 120.0° |
| O27 | C28 | H28A | H28B | 120.0° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| C30 | C29 | C33 | H29 | 120.0° | 118.6° |
| C30 | C29 | C33 | H29A | 120.0° | 118.8° |
| C30 | C29 | H29 | H29A | 123.4° | 122.7° |
| C29 | C30 | O34 | C31 | 115.0° | 117.2° |
| C29 | C30 | O34 | H30 | 124.6° | 121.4° |
| C29 | C30 | C31 | H30 | 125.1° | 119.2° |
| C29 | C30 | C31 | N35 | 142.0° | 119.3° |
| C29 | C30 | C31 | C32 | 18.3° | 0.0° |
| C29 | C30 | C31 | H31 | 103.3° | 119.3° |
| C30 | C29 | C33 | C32 | 36.8° | 38.0° |
| C30 | C29 | C33 | H33 | 83.0° | 80.4° |
| C29 | C30 | O34 | HO34 | 180.0° | 61.5° |
| C33 | C29 | H29 | H29A | 123.5° | 122.6° |
| C33 | C29 | C30 | O34 | 128.1° | 142.9° |
| C33 | C29 | C30 | C31 | 10.9° | 23.6° |
| C33 | C29 | C30 | H30 | 109.2° | 95.6° |
| C29 | C33 | C32 | C31 | 47.6° | 38.0° |
| C29 | C33 | C32 | H33 | 119.4° | 118.4° |
| C29 | C33 | C32 | H32 | 72.3° | 80.7° |
| C29 | C33 | C32 | H32A | 167.6° | 156.6° |
| H29 | C29 | C30 | O34 | 111.9° | 98.5° |
| H29 | C29 | C30 | C31 | 130.9° | 142.2° |
| H29 | C29 | C30 | H30 | 10.8° | 23.0° |
| H29 | C29 | C33 | C32 | 156.7° | 156.6° |
| H29 | C29 | C33 | H33 | 37.0° | 38.2° |
| H29A | C29 | C30 | O34 | 8.1° | 24.1° |
| H29A | C29 | C30 | C31 | 109.1° | 95.1° |
| H29A | C29 | C30 | H30 | 130.8° | 145.6° |
| H29A | C29 | C33 | C32 | 83.2° | 80.9° |
| H29A | C29 | C33 | H33 | 157.0° | 160.8° |
| O34 | C30 | C31 | H30 | 123.5° | 121.5° |
| O34 | C30 | C31 | N35 | 30.6° | 0.0° |
| O34 | C30 | C31 | C32 | 93.1° | 119.3° |
| O34 | C30 | C31 | H31 | 145.3° | 121.4° |
| C30 | C31 | N35 | C32 | 119.7° | 117.2° |
| C30 | C31 | N35 | H31 | 119.1° | 121.5° |
| C30 | C31 | C32 | H31 | 119.7° | 119.3° |
| C30 | C31 | C32 | C33 | 38.6° | 23.6° |
| C30 | C31 | C32 | H32 | 81.4° | 95.0° |
| C30 | C31 | C32 | H32A | 158.6° | 142.2° |
| C31 | C30 | O34 | HO34 | 65.0° | 178.6° |
| C30 | C31 | N35 | HN35 | 180.0° | 61.4° |
| C30 | C31 | N35 | HN3A | 60.0° | 174.6° |
| H30 | C30 | C31 | N35 | 92.9° | 121.5° |
| H30 | C30 | C31 | C32 | 143.4° | 119.3° |
| H30 | C30 | C31 | H31 | 21.8° | 0.0° |
| H30 | C30 | O34 | HO34 | 55.4° | 59.9° |
| N35 | C31 | C32 | H31 | 114.9° | 121.4° |
| N35 | C31 | C32 | C33 | 164.1° | 142.9° |
| N35 | C31 | C32 | H32 | 44.0° | 24.3° |
| N35 | C31 | C32 | H32A | 75.9° | 98.5° |
| C31 | N35 | HN35 | HN3A | 120.0° | 124.0° |
| C31 | C32 | C33 | H32 | 120.0° | 118.7° |
| C31 | C32 | C33 | H32A | 120.0° | 118.7° |
| C31 | C32 | H32 | H32A | 124.7° | 122.7° |
| C31 | C32 | C33 | H33 | 71.7° | 80.4° |
| C32 | C31 | N35 | HN35 | 60.3° | 178.6° |
| C32 | C31 | N35 | HN3A | 59.7° | 57.4° |
| H31 | C31 | C32 | C33 | 81.1° | 95.7° |
| H31 | C31 | C32 | H32 | 158.9° | 145.6° |
| H31 | C31 | C32 | H32A | 39.0° | 22.9° |
| H31 | C31 | N35 | HN35 | 60.9° | 60.0° |
| H31 | C31 | N35 | HN3A | 179.1° | 64.0° |
| C33 | C32 | H32 | H32A | 124.8° | 122.6° |
| H32 | C32 | C33 | H33 | 168.3° | 160.9° |
| H32A | C32 | C33 | H33 | 48.2° | 38.3° |
