UIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | doub | 1.30Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C3 | N2 | sing | 1.38Å | 1.37Å | |
| C3 | C4 | sing | 1.48Å | 1.43Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C10 | N11 | sing | 1.47Å | 1.50Å | |
| C10 | C22 | sing | 1.56Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| N11 | C12 | sing | 1.51Å | 1.51Å | |
| N11 | C15 | sing | 1.48Å | 1.51Å | |
| C12 | C13 | sing | 1.55Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.55Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.54Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.54Å | 1.56Å | |
| C15 | H15 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.54Å | 1.57Å | |
| C16 | C22 | sing | 1.56Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | N19 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| N19 | C20 | sing | 1.36Å | 1.37Å | |
| N19 | C23 | sing | 1.47Å | 1.50Å | |
| C20 | O21 | doub | 1.21Å | 1.26Å | |
| C20 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C30 | O29 | sing | 1.37Å | 1.38Å | |
| C30 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| O29 | C28 | sing | 1.44Å | 1.47Å | |
| C28 | O27 | sing | 1.44Å | 1.46Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| O27 | C26 | sing | 1.37Å | 1.41Å | |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C18 | C41 | sing | 1.53Å | 1.51Å | |
| C18 | C42 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H413 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | HN1 | 119.8° | 120.0° |
| N1 | C3 | N2 | 116.5° | 120.0° |
| N1 | C3 | C4 | 120.7° | 120.0° |
| N2 | C3 | C4 | 122.7° | 120.0° |
| C3 | N2 | HN21 | 109.7° | 120.0° |
| C3 | N2 | HN22 | 116.5° | 120.0° |
| C3 | C4 | C9 | 119.6° | 120.2° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| HN21 | N2 | HN22 | 109.6° | 120.0° |
| C9 | C4 | C5 | 119.6° | 119.7° |
| C4 | C9 | C8 | 120.1° | 119.9° |
| C4 | C9 | H9 | 119.6° | 120.0° |
| C4 | C5 | C6 | 119.5° | 119.8° |
| C4 | C5 | H5 | 121.1° | 120.1° |
| C8 | C9 | H9 | 120.3° | 120.1° |
| C9 | C8 | C7 | 120.7° | 120.1° |
| C9 | C8 | H8 | 120.1° | 119.9° |
| C7 | C8 | H8 | 119.2° | 119.9° |
| C8 | C7 | C6 | 118.6° | 120.3° |
| C8 | C7 | C10 | 121.2° | 119.9° |
| C6 | C7 | C10 | 120.2° | 119.8° |
| C7 | C6 | C5 | 121.5° | 120.1° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C7 | C10 | N11 | 111.3° | 109.7° |
| C7 | C10 | C22 | 120.0° | 110.5° |
| C7 | C10 | H10 | 99.1° | 109.7° |
| C5 | C6 | H6 | 118.4° | 119.9° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| N11 | C10 | C22 | 105.3° | 108.1° |
| N11 | C10 | H10 | 115.6° | 109.7° |
| C10 | N11 | C12 | 112.5° | 105.2° |
| C10 | N11 | C15 | 102.8° | 109.2° |
| C22 | C10 | H10 | 105.8° | 109.0° |
| C10 | C22 | C16 | 102.3° | 103.6° |
| C10 | C22 | C20 | 114.0° | 109.7° |
| C10 | C22 | H22 | 109.5° | 112.4° |
| C12 | N11 | C15 | 107.2° | 105.0° |
| N11 | C12 | C13 | 105.5° | 104.0° |
| N11 | C12 | H121 | 113.7° | 110.7° |
| N11 | C12 | H122 | 113.7° | 110.3° |
| N11 | C15 | C14 | 103.8° | 108.4° |
| N11 | C15 | C16 | 108.5° | 107.0° |
| N11 | C15 | H15 | 113.0° | 110.4° |
| C13 | C12 | H121 | 113.7° | 110.6° |
| C13 | C12 | H122 | 113.7° | 110.6° |
| C12 | C13 | C14 | 104.8° | 102.9° |
| C12 | C13 | H131 | 114.0° | 110.8° |
| C12 | C13 | H132 | 114.0° | 110.7° |
| H121 | C12 | H122 | 96.7° | 110.5° |
| C14 | C13 | H131 | 114.0° | 110.7° |
| C14 | C13 | H132 | 114.0° | 110.7° |
| C13 | C14 | C15 | 101.4° | 105.1° |
| C13 | C14 | H141 | 115.3° | 110.3° |
| C13 | C14 | H142 | 115.3° | 110.4° |
| H131 | C13 | H132 | 96.5° | 110.8° |
| C15 | C14 | H141 | 115.3° | 110.3° |
| C15 | C14 | H142 | 115.3° | 110.4° |
| C14 | C15 | C16 | 107.3° | 110.0° |
| C14 | C15 | H15 | 114.1° | 110.4° |
| H141 | C14 | H142 | 95.2° | 110.4° |
| C16 | C15 | H15 | 109.8° | 110.5° |
| C15 | C16 | C17 | 110.2° | 109.0° |
| C15 | C16 | C22 | 103.8° | 104.6° |
| C15 | C16 | H16 | 110.9° | 113.5° |
| C17 | C16 | C22 | 103.6° | 101.6° |
| C17 | C16 | H16 | 111.1° | 113.4° |
| C16 | C17 | N19 | 103.9° | 105.7° |
| C16 | C17 | C18 | 115.3° | 110.2° |
| C16 | C17 | H17 | 111.8° | 110.2° |
| C22 | C16 | H16 | 116.8° | 113.8° |
| C16 | C22 | C20 | 103.3° | 104.8° |
| C16 | C22 | H22 | 119.2° | 113.2° |
| N19 | C17 | C18 | 115.5° | 110.2° |
| N19 | C17 | H17 | 111.5° | 110.2° |
| C17 | N19 | C20 | 113.7° | 111.5° |
| C17 | N19 | C23 | 127.2° | 124.2° |
| C18 | C17 | H17 | 99.1° | 110.2° |
| C17 | C18 | C41 | 112.1° | 109.5° |
| C17 | C18 | C42 | 113.9° | 109.5° |
| C17 | C18 | H18 | 103.7° | 109.5° |
| C20 | N19 | C23 | 118.8° | 124.3° |
| N19 | C20 | O21 | 126.4° | 125.7° |
| N19 | C20 | C22 | 108.7° | 109.4° |
| N19 | C23 | C24 | 114.5° | 109.5° |
| N19 | C23 | H231 | 110.3° | 109.5° |
| N19 | C23 | H232 | 110.4° | 109.5° |
| O21 | C20 | C22 | 123.6° | 124.8° |
| C20 | C22 | H22 | 108.5° | 112.5° |
| C24 | C23 | H231 | 110.4° | 109.5° |
| C24 | C23 | H232 | 110.4° | 109.5° |
| C23 | C24 | C32 | 122.3° | 119.9° |
| C23 | C24 | C25 | 118.1° | 119.9° |
| H231 | C23 | H232 | 99.9° | 109.4° |
| C32 | C24 | C25 | 119.4° | 120.1° |
| C24 | C32 | C31 | 122.8° | 120.1° |
| C24 | C32 | H32 | 119.3° | 120.0° |
| C24 | C25 | C26 | 118.2° | 120.1° |
| C24 | C25 | H25 | 121.2° | 120.0° |
| C31 | C32 | H32 | 117.9° | 119.9° |
| C32 | C31 | C30 | 115.9° | 120.0° |
| C32 | C31 | H31 | 122.5° | 120.0° |
| C30 | C31 | H31 | 121.5° | 120.0° |
| C31 | C30 | O29 | 129.6° | 131.6° |
| C31 | C30 | C26 | 122.4° | 119.8° |
| O29 | C30 | C26 | 105.8° | 108.6° |
| C30 | O29 | C28 | 103.7° | 105.5° |
| C30 | C26 | O27 | 107.9° | 108.7° |
| C30 | C26 | C25 | 121.2° | 119.8° |
| O29 | C28 | O27 | 109.0° | 103.7° |
| O29 | C28 | H281 | 112.4° | 110.6° |
| O29 | C28 | H282 | 112.3° | 110.5° |
| O27 | C28 | H281 | 112.4° | 110.6° |
| O27 | C28 | H282 | 112.4° | 110.6° |
| C28 | O27 | C26 | 101.3° | 105.5° |
| H281 | C28 | H282 | 98.1° | 110.6° |
| O27 | C26 | C25 | 127.0° | 131.5° |
| C26 | C25 | H25 | 120.6° | 120.0° |
| C41 | C18 | C42 | 107.1° | 109.5° |
| C41 | C18 | H18 | 111.0° | 109.5° |
| C18 | C41 | H411 | 111.2° | 109.4° |
| C18 | C41 | H412 | 112.1° | 109.5° |
| C18 | C41 | H413 | 111.2° | 109.5° |
| C42 | C18 | H18 | 109.1° | 109.5° |
| C18 | C42 | H421 | 110.6° | 109.4° |
| C18 | C42 | H422 | 113.9° | 109.5° |
| C18 | C42 | H423 | 110.6° | 109.4° |
| H411 | C41 | H412 | 111.2° | 109.5° |
| H411 | C41 | H413 | 99.1° | 109.4° |
| H412 | C41 | H413 | 111.2° | 109.5° |
| H421 | C42 | H422 | 110.6° | 109.5° |
| H421 | C42 | H423 | 99.7° | 109.5° |
| H422 | C42 | H423 | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C3 | N2 | C4 | 176.3° | 179.9° |
| N1 | C3 | N2 | HN21 | 54.8° | 0.1° |
| N1 | C3 | N2 | HN22 | 180.0° | 180.0° |
| N1 | C3 | C4 | C9 | 12.9° | 0.1° |
| N1 | C3 | C4 | C5 | 173.9° | 180.0° |
| HN1 | N1 | C3 | N2 | 11.2° | 0.0° |
| HN1 | N1 | C3 | C4 | 165.2° | 179.9° |
| C3 | N2 | HN21 | HN22 | 129.1° | 179.9° |
| N2 | C3 | C4 | C9 | 163.2° | 180.0° |
| N2 | C3 | C4 | C5 | 10.0° | 0.0° |
| C4 | C3 | N2 | HN21 | 121.5° | 180.0° |
| C4 | C3 | N2 | HN22 | 3.7° | 0.0° |
| C3 | C4 | C9 | C5 | 173.3° | 179.9° |
| C3 | C4 | C9 | C8 | 174.7° | 180.0° |
| C3 | C4 | C9 | H9 | 5.3° | 0.1° |
| C3 | C4 | C5 | C6 | 173.6° | 179.7° |
| C3 | C4 | C5 | H5 | 6.4° | 0.0° |
| C4 | C9 | C8 | H9 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 2.5° | 0.0° |
| C4 | C9 | C8 | H8 | 177.5° | 180.0° |
| C9 | C4 | C5 | C6 | 0.4° | 0.2° |
| C9 | C4 | C5 | H5 | 179.6° | 179.9° |
| C5 | C4 | C9 | C8 | 1.4° | 0.0° |
| C5 | C4 | C9 | H9 | 178.6° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 2.5° | 0.2° |
| C9 | C8 | C7 | C10 | 177.2° | 180.0° |
| H9 | C9 | C8 | C7 | 177.5° | 180.0° |
| H9 | C9 | C8 | H8 | 2.5° | 0.0° |
| C8 | C7 | C6 | C10 | 179.7° | 179.8° |
| C8 | C7 | C6 | C5 | 1.4° | 0.5° |
| C8 | C7 | C6 | H6 | 178.6° | 179.9° |
| C8 | C7 | C10 | N11 | 31.2° | 141.4° |
| C8 | C7 | C10 | C22 | 92.4° | 99.4° |
| C8 | C7 | C10 | H10 | 153.3° | 20.8° |
| H8 | C8 | C7 | C6 | 177.5° | 179.7° |
| H8 | C8 | C7 | C10 | 2.8° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.5° |
| C7 | C6 | C5 | H5 | 179.6° | 179.8° |
| C6 | C7 | C10 | N11 | 149.1° | 38.3° |
| C6 | C7 | C10 | C22 | 87.3° | 80.9° |
| C6 | C7 | C10 | H10 | 27.0° | 158.9° |
| C10 | C7 | C6 | C5 | 178.2° | 179.7° |
| C10 | C7 | C6 | H6 | 1.8° | 0.2° |
| C7 | C10 | N11 | C22 | 131.6° | 120.6° |
| C7 | C10 | N11 | H10 | 112.0° | 120.6° |
| C7 | C10 | C22 | H10 | 110.7° | 120.7° |
| C7 | C10 | N11 | C12 | 74.5° | 125.9° |
| C7 | C10 | N11 | C15 | 170.4° | 121.8° |
| C7 | C10 | C22 | C16 | 167.9° | 137.3° |
| C7 | C10 | C22 | C20 | 57.1° | 25.9° |
| C7 | C10 | C22 | H22 | 64.7° | 100.1° |
| H6 | C6 | C5 | H5 | 0.4° | 0.3° |
| N11 | C10 | C22 | H10 | 122.9° | 119.2° |
| C10 | N11 | C12 | C15 | 112.3° | 115.3° |
| C10 | N11 | C12 | C13 | 110.5° | 152.0° |
| C10 | N11 | C12 | H121 | 14.8° | 33.3° |
| C10 | N11 | C12 | H122 | 124.3° | 89.4° |
| C10 | N11 | C15 | C14 | 92.8° | 134.5° |
| C10 | N11 | C15 | C16 | 21.1° | 15.8° |
| C10 | N11 | C15 | H15 | 143.1° | 104.5° |
| N11 | C10 | C22 | C16 | 41.5° | 17.2° |
| N11 | C10 | C22 | C20 | 69.3° | 94.3° |
| N11 | C10 | C22 | H22 | 168.9° | 139.8° |
| C22 | C10 | N11 | C12 | 153.9° | 113.5° |
| C22 | C10 | N11 | C15 | 38.9° | 1.2° |
| C10 | C22 | C16 | C15 | 26.8° | 26.0° |
| C10 | C22 | C16 | C17 | 141.9° | 139.4° |
| C10 | C22 | C16 | C20 | 118.7° | 115.0° |
| C10 | C22 | C16 | H22 | 120.9° | 122.0° |
| C10 | C22 | C16 | H16 | 95.6° | 98.3° |
| C10 | C22 | C20 | N19 | 123.7° | 126.1° |
| C10 | C22 | C20 | O21 | 44.2° | 52.8° |
| C10 | C22 | C20 | H22 | 122.3° | 125.9° |
| H10 | C10 | N11 | C12 | 37.5° | 5.3° |
| H10 | C10 | N11 | C15 | 77.5° | 117.6° |
| H10 | C10 | C22 | C16 | 81.3° | 102.0° |
| H10 | C10 | C22 | C20 | 167.8° | 146.5° |
| H10 | C10 | C22 | H22 | 46.0° | 20.6° |
| N11 | C12 | C13 | H121 | 125.3° | 118.9° |
| N11 | C12 | C13 | H122 | 125.3° | 118.4° |
| N11 | C12 | H121 | H122 | 119.6° | 122.5° |
| N11 | C12 | C13 | C14 | 23.7° | 37.0° |
| N11 | C12 | C13 | H131 | 149.0° | 155.4° |
| N11 | C12 | C13 | H132 | 101.5° | 81.3° |
| C12 | N11 | C15 | C14 | 26.0° | 22.0° |
| C12 | N11 | C15 | C16 | 139.9° | 96.6° |
| C12 | N11 | C15 | H15 | 98.1° | 143.1° |
| C15 | N11 | C12 | C13 | 1.8° | 36.8° |
| C15 | N11 | C12 | H121 | 127.1° | 82.0° |
| C15 | N11 | C12 | H122 | 123.4° | 155.4° |
| N11 | C15 | C14 | C13 | 40.1° | 1.3° |
| N11 | C15 | C14 | C16 | 114.8° | 116.8° |
| N11 | C15 | C14 | H15 | 123.4° | 121.0° |
| N11 | C15 | C14 | H141 | 85.2° | 117.5° |
| N11 | C15 | C14 | H142 | 165.3° | 120.3° |
| N11 | C15 | C16 | H15 | 123.9° | 120.2° |
| N11 | C15 | C16 | C17 | 114.3° | 134.3° |
| N11 | C15 | C16 | C22 | 3.9° | 26.2° |
| N11 | C15 | C16 | H16 | 122.3° | 98.3° |
| C13 | C12 | H121 | H122 | 119.6° | 122.8° |
| C12 | C13 | C14 | H131 | 125.3° | 118.4° |
| C12 | C13 | C14 | H132 | 125.3° | 118.3° |
| C12 | C13 | H131 | H132 | 119.9° | 123.3° |
| C12 | C13 | C14 | C15 | 39.0° | 23.4° |
| C12 | C13 | C14 | H141 | 86.2° | 95.5° |
| C12 | C13 | C14 | H142 | 164.3° | 142.3° |
| H121 | C12 | C13 | C14 | 101.6° | 81.8° |
| H121 | C12 | C13 | H131 | 23.7° | 36.6° |
| H121 | C12 | C13 | H132 | 133.2° | 159.9° |
| H122 | C12 | C13 | C14 | 149.0° | 155.4° |
| H122 | C12 | C13 | H131 | 85.8° | 86.2° |
| H122 | C12 | C13 | H132 | 23.7° | 37.1° |
| C14 | C13 | H131 | H132 | 119.9° | 123.2° |
| C13 | C14 | C15 | H141 | 125.3° | 118.9° |
| C13 | C14 | C15 | H142 | 125.3° | 119.0° |
| C13 | C14 | H141 | H142 | 121.1° | 122.2° |
| C13 | C14 | C15 | C16 | 154.9° | 118.1° |
| C13 | C14 | C15 | H15 | 83.3° | 119.7° |
| H131 | C13 | C14 | C15 | 164.3° | 141.8° |
| H131 | C13 | C14 | H141 | 39.1° | 22.9° |
| H131 | C13 | C14 | H142 | 70.4° | 99.3° |
| H132 | C13 | C14 | C15 | 86.3° | 95.0° |
| H132 | C13 | C14 | H141 | 148.5° | 146.2° |
| H132 | C13 | C14 | H142 | 39.0° | 24.0° |
| C15 | C14 | H141 | H142 | 121.2° | 122.2° |
| C14 | C15 | C16 | H15 | 124.5° | 122.2° |
| C14 | C15 | C16 | C17 | 134.1° | 108.1° |
| C14 | C15 | C16 | C22 | 115.5° | 143.8° |
| C14 | C15 | C16 | H16 | 10.7° | 19.3° |
| H141 | C14 | C15 | C16 | 29.6° | 0.8° |
| H141 | C14 | C15 | H15 | 151.5° | 121.4° |
| H142 | C14 | C15 | C16 | 79.9° | 122.9° |
| H142 | C14 | C15 | H15 | 42.0° | 0.7° |
| C15 | C16 | C17 | C22 | 110.5° | 110.0° |
| C15 | C16 | C17 | H16 | 123.3° | 127.5° |
| C15 | C16 | C22 | H16 | 122.4° | 124.3° |
| C15 | C16 | C17 | N19 | 85.2° | 84.8° |
| C15 | C16 | C17 | C18 | 147.3° | 156.1° |
| C15 | C16 | C17 | H17 | 35.1° | 34.3° |
| C15 | C16 | C22 | C20 | 91.9° | 89.0° |
| C15 | C16 | C22 | H22 | 147.7° | 148.0° |
| H15 | C15 | C16 | C17 | 9.7° | 14.0° |
| H15 | C15 | C16 | C22 | 120.0° | 94.0° |
| H15 | C15 | C16 | H16 | 113.8° | 141.5° |
| C17 | C16 | C22 | H16 | 122.5° | 122.3° |
| C16 | C17 | N19 | C18 | 127.3° | 119.1° |
| C16 | C17 | N19 | H17 | 120.6° | 119.1° |
| C16 | C17 | C18 | H17 | 119.4° | 121.9° |
| C16 | C17 | N19 | C20 | 18.3° | 17.4° |
| C16 | C17 | N19 | C23 | 155.8° | 163.1° |
| C17 | C16 | C22 | C20 | 23.3° | 24.4° |
| C17 | C16 | C22 | H22 | 97.2° | 98.6° |
| C16 | C17 | C18 | C41 | 68.4° | 65.4° |
| C16 | C17 | C18 | C42 | 53.4° | 54.6° |
| C16 | C17 | C18 | H18 | 171.8° | 174.6° |
| C22 | C16 | C17 | N19 | 25.3° | 25.2° |
| C22 | C16 | C17 | C18 | 102.2° | 93.8° |
| C22 | C16 | C17 | H17 | 145.6° | 144.3° |
| C16 | C22 | C20 | N19 | 13.5° | 15.4° |
| C16 | C22 | C20 | O21 | 154.4° | 163.5° |
| C16 | C22 | C20 | H22 | 127.5° | 123.4° |
| H16 | C16 | C17 | N19 | 151.5° | 147.7° |
| H16 | C16 | C17 | C18 | 24.0° | 28.7° |
| H16 | C16 | C17 | H17 | 88.2° | 93.2° |
| H16 | C16 | C22 | C20 | 145.8° | 146.6° |
| H16 | C16 | C22 | H22 | 25.3° | 23.7° |
| N19 | C17 | C18 | H17 | 119.2° | 121.8° |
| C17 | N19 | C20 | C23 | 174.6° | 179.4° |
| C17 | N19 | C20 | O21 | 170.7° | 180.0° |
| C17 | N19 | C20 | C22 | 3.2° | 1.1° |
| C17 | N19 | C23 | C24 | 92.6° | 85.0° |
| C17 | N19 | C23 | H231 | 32.7° | 35.0° |
| C17 | N19 | C23 | H232 | 142.2° | 154.9° |
| N19 | C17 | C18 | C41 | 170.2° | 178.3° |
| N19 | C17 | C18 | C42 | 68.0° | 61.7° |
| N19 | C17 | C18 | H18 | 50.4° | 58.3° |
| C18 | C17 | N19 | C20 | 108.9° | 101.6° |
| C18 | C17 | N19 | C23 | 76.9° | 77.8° |
| C17 | C18 | C41 | C42 | 125.6° | 120.0° |
| C17 | C18 | C41 | H18 | 115.4° | 120.0° |
| C17 | C18 | C42 | H18 | 115.3° | 120.0° |
| C17 | C18 | C41 | H411 | 54.7° | 178.1° |
| C17 | C18 | C41 | H412 | 180.0° | 61.8° |
| C17 | C18 | C41 | H413 | 54.8° | 58.2° |
| C17 | C18 | C42 | H421 | 54.7° | 60.0° |
| C17 | C18 | C42 | H422 | 180.0° | 60.0° |
| C17 | C18 | C42 | H423 | 54.7° | 180.0° |
| H17 | C17 | N19 | C20 | 138.9° | 136.5° |
| H17 | C17 | N19 | C23 | 35.2° | 44.0° |
| H17 | C17 | C18 | C41 | 51.0° | 56.5° |
| H17 | C17 | C18 | C42 | 172.8° | 176.5° |
| H17 | C17 | C18 | H18 | 68.8° | 63.5° |
| N19 | C20 | O21 | C22 | 165.7° | 178.7° |
| N19 | C20 | C22 | H22 | 114.0° | 108.0° |
| C20 | N19 | C23 | C24 | 93.6° | 95.6° |
| C20 | N19 | C23 | H231 | 141.2° | 144.4° |
| C20 | N19 | C23 | H232 | 31.7° | 24.5° |
| C23 | N19 | C20 | O21 | 4.0° | 0.5° |
| C23 | N19 | C20 | C22 | 171.5° | 179.4° |
| N19 | C23 | C24 | H231 | 125.3° | 120.0° |
| N19 | C23 | C24 | H232 | 125.3° | 120.1° |
| N19 | C23 | H231 | H232 | 116.2° | 120.0° |
| N19 | C23 | C24 | C32 | 81.2° | 90.0° |
| N19 | C23 | C24 | C25 | 103.5° | 90.3° |
| O21 | C20 | C22 | H22 | 78.1° | 73.1° |
| C24 | C23 | H231 | H232 | 116.2° | 120.0° |
| C23 | C24 | C32 | C25 | 175.3° | 179.7° |
| C23 | C24 | C32 | C31 | 175.1° | 180.0° |
| C23 | C24 | C32 | H32 | 4.9° | 0.1° |
| C23 | C24 | C25 | C26 | 175.5° | 179.7° |
| C23 | C24 | C25 | H25 | 4.5° | 0.0° |
| H231 | C23 | C24 | C32 | 44.0° | 30.0° |
| H231 | C23 | C24 | C25 | 131.3° | 149.7° |
| H232 | C23 | C24 | C32 | 153.5° | 149.9° |
| H232 | C23 | C24 | C25 | 21.8° | 29.7° |
| C24 | C32 | C31 | H32 | 180.0° | 179.9° |
| C24 | C32 | C31 | C30 | 0.8° | 0.0° |
| C24 | C32 | C31 | H31 | 179.2° | 179.9° |
| C32 | C24 | C25 | C26 | 0.1° | 0.6° |
| C32 | C24 | C25 | H25 | 180.0° | 179.7° |
| C25 | C24 | C32 | C31 | 0.2° | 0.3° |
| C25 | C24 | C32 | H32 | 179.8° | 179.8° |
| C24 | C25 | C26 | C30 | 0.4° | 0.6° |
| C24 | C25 | C26 | O27 | 154.5° | 179.8° |
| C24 | C25 | C26 | H25 | 180.0° | 179.7° |
| C32 | C31 | C30 | H31 | 180.0° | 179.9° |
| C32 | C31 | C30 | O29 | 159.2° | 180.0° |
| C32 | C31 | C30 | C26 | 1.3° | 0.0° |
| H32 | C32 | C31 | C30 | 179.1° | 179.9° |
| H32 | C32 | C31 | H31 | 0.9° | 0.0° |
| C31 | C30 | O29 | C26 | 163.0° | 180.0° |
| C31 | C30 | O29 | C28 | 168.4° | 162.7° |
| C31 | C30 | C26 | O27 | 158.0° | 180.0° |
| C31 | C30 | C26 | C25 | 1.1° | 0.3° |
| H31 | C31 | C30 | O29 | 20.8° | 0.1° |
| H31 | C31 | C30 | C26 | 178.7° | 179.9° |
| C30 | O29 | C28 | O27 | 11.5° | 27.1° |
| C30 | O29 | C28 | H281 | 136.8° | 91.5° |
| C30 | O29 | C28 | H282 | 113.8° | 145.7° |
| O29 | C30 | C26 | O27 | 37.5° | 0.0° |
| O29 | C30 | C26 | C25 | 163.4° | 179.7° |
| C26 | C30 | O29 | C28 | 28.6° | 17.3° |
| C30 | C26 | O27 | C28 | 28.1° | 17.3° |
| C30 | C26 | O27 | C25 | 157.6° | 179.7° |
| C30 | C26 | C25 | H25 | 179.6° | 179.7° |
| O29 | C28 | O27 | H281 | 125.3° | 118.6° |
| O29 | C28 | O27 | H282 | 125.2° | 118.5° |
| O29 | C28 | H281 | H282 | 118.3° | 122.8° |
| O29 | C28 | O27 | C26 | 10.1° | 27.1° |
| O27 | C28 | H281 | H282 | 118.3° | 122.9° |
| C28 | O27 | C26 | C25 | 174.3° | 163.0° |
| H281 | C28 | O27 | C26 | 115.2° | 91.5° |
| H282 | C28 | O27 | C26 | 135.3° | 145.6° |
| O27 | C26 | C25 | H25 | 25.5° | 0.0° |
| C41 | C18 | C42 | H18 | 120.2° | 120.0° |
| C18 | C41 | H411 | H412 | 125.7° | 120.0° |
| C18 | C41 | H411 | H413 | 117.1° | 119.9° |
| C18 | C41 | H412 | H413 | 125.3° | 120.0° |
| C41 | C18 | C42 | H421 | 179.3° | 60.0° |
| C41 | C18 | C42 | H422 | 55.5° | 180.0° |
| C41 | C18 | C42 | H423 | 69.8° | 60.0° |
| C42 | C18 | C41 | H411 | 70.9° | 58.2° |
| C42 | C18 | C41 | H412 | 54.3° | 178.2° |
| C42 | C18 | C41 | H413 | 179.6° | 61.7° |
| C18 | C42 | H421 | H422 | 127.2° | 120.0° |
| C18 | C42 | H421 | H423 | 116.4° | 120.0° |
| C18 | C42 | H422 | H423 | 125.3° | 119.9° |
| H18 | C18 | C41 | H411 | 170.1° | 61.9° |
| H18 | C18 | C41 | H412 | 64.6° | 58.2° |
| H18 | C18 | C41 | H413 | 60.7° | 178.2° |
| H18 | C18 | C42 | H421 | 60.5° | 180.0° |
| H18 | C18 | C42 | H422 | 64.7° | 60.0° |
| H18 | C18 | C42 | H423 | 170.0° | 60.0° |
| H411 | C41 | H412 | H413 | 109.5° | 120.0° |
| H421 | C42 | H422 | H423 | 109.4° | 120.1° |
