UIB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.38Å | 1.32Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| C3 | N2 | doub | 1.30Å | 1.37Å | |
| C3 | C4 | sing | 1.48Å | 1.43Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C10 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C22 | sing | 1.55Å | 1.54Å | |
| C10 | N11 | sing | 1.48Å | 1.49Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C22 | C16 | sing | 1.56Å | 1.56Å | |
| C22 | C20 | sing | 1.51Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C16 | C15 | sing | 1.54Å | 1.56Å | |
| C16 | C17 | sing | 1.54Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | N11 | sing | 1.50Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å | |
| C17 | N19 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| N19 | C23 | sing | 1.46Å | 1.51Å | |
| N19 | C20 | sing | 1.34Å | 1.37Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.44Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C30 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | O29 | sing | 1.36Å | 1.38Å | |
| C26 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | O27 | sing | 1.36Å | 1.41Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| O27 | C28 | sing | 1.44Å | 1.46Å | |
| C28 | O29 | sing | 1.44Å | 1.47Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C20 | O21 | doub | 1.21Å | 1.26Å | |
| C18 | C41 | sing | 1.53Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H413 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | HN11 | 114.8° | 120.0° |
| C3 | N1 | HN12 | 110.3° | 119.9° |
| N1 | C3 | N2 | 114.8° | 120.0° |
| N1 | C3 | C4 | 120.7° | 120.0° |
| HN11 | N1 | HN12 | 110.2° | 120.1° |
| N2 | C3 | C4 | 124.5° | 120.0° |
| C3 | N2 | HN2 | 103.0° | 120.0° |
| C3 | C4 | C5 | 121.1° | 120.1° |
| C3 | C4 | C9 | 119.4° | 120.2° |
| C5 | C4 | C9 | 119.5° | 119.7° |
| C4 | C5 | C6 | 120.4° | 119.9° |
| C4 | C5 | H5 | 120.6° | 120.1° |
| C4 | C9 | C8 | 120.2° | 120.0° |
| C4 | C9 | H9 | 119.3° | 120.1° |
| C6 | C5 | H5 | 119.0° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C5 | C6 | H6 | 118.7° | 120.0° |
| C7 | C6 | H6 | 121.0° | 119.9° |
| C6 | C7 | C10 | 118.3° | 119.9° |
| C6 | C7 | C8 | 119.5° | 120.3° |
| C10 | C7 | C8 | 122.0° | 119.8° |
| C7 | C10 | C22 | 119.7° | 110.6° |
| C7 | C10 | N11 | 112.2° | 110.7° |
| C7 | C10 | H10 | 98.6° | 110.5° |
| C7 | C8 | C9 | 120.1° | 120.1° |
| C7 | C8 | H8 | 119.2° | 119.9° |
| C22 | C10 | N11 | 105.1° | 103.5° |
| C22 | C10 | H10 | 106.5° | 110.7° |
| C10 | C22 | C16 | 101.8° | 102.7° |
| C10 | C22 | C20 | 112.5° | 109.3° |
| C10 | C22 | H22 | 110.6° | 113.2° |
| N11 | C10 | H10 | 115.0° | 110.7° |
| C10 | N11 | C15 | 102.3° | 105.8° |
| C10 | N11 | C12 | 112.8° | 106.7° |
| C16 | C22 | C20 | 102.9° | 104.1° |
| C16 | C22 | H22 | 119.2° | 113.4° |
| C22 | C16 | C15 | 104.1° | 105.7° |
| C22 | C16 | C17 | 102.4° | 102.0° |
| C22 | C16 | H16 | 118.9° | 113.1° |
| C20 | C22 | H22 | 109.6° | 113.2° |
| C22 | C20 | N19 | 108.3° | 110.8° |
| C22 | C20 | O21 | 126.5° | 124.7° |
| C15 | C16 | C17 | 114.3° | 109.5° |
| C15 | C16 | H16 | 107.9° | 112.9° |
| C16 | C15 | C13 | 106.0° | 110.6° |
| C16 | C15 | C14 | 105.2° | 110.0° |
| C16 | C15 | N11 | 108.1° | 106.4° |
| C17 | C16 | H16 | 109.5° | 112.9° |
| C16 | C17 | N19 | 103.5° | 105.9° |
| C16 | C17 | C18 | 113.6° | 110.1° |
| C16 | C17 | H17 | 112.6° | 110.2° |
| C13 | C15 | C14 | 110.9° | 110.0° |
| C13 | C15 | N11 | 120.0° | 109.9° |
| C15 | C13 | H131 | 106.0° | 109.5° |
| C15 | C13 | H132 | 113.5° | 109.5° |
| C15 | C13 | H133 | 113.5° | 109.5° |
| C14 | C15 | N11 | 105.6° | 109.9° |
| C15 | C14 | H141 | 105.2° | 109.4° |
| C15 | C14 | H142 | 113.9° | 109.5° |
| C15 | C14 | H143 | 113.9° | 109.5° |
| C15 | N11 | C12 | 112.9° | 106.4° |
| H131 | C13 | H132 | 113.5° | 109.5° |
| H131 | C13 | H133 | 113.6° | 109.5° |
| H132 | C13 | H133 | 97.0° | 109.4° |
| H141 | C14 | H142 | 113.8° | 109.5° |
| H141 | C14 | H143 | 113.7° | 109.5° |
| H142 | C14 | H143 | 96.7° | 109.5° |
| N11 | C12 | H121 | 112.8° | 109.4° |
| N11 | C12 | H122 | 111.0° | 109.5° |
| N11 | C12 | H123 | 111.0° | 109.5° |
| H121 | C12 | H122 | 111.0° | 109.5° |
| H121 | C12 | H123 | 110.9° | 109.4° |
| H122 | C12 | H123 | 99.3° | 109.5° |
| N19 | C17 | C18 | 114.3° | 110.1° |
| N19 | C17 | H17 | 111.9° | 110.2° |
| C17 | N19 | C23 | 126.5° | 124.5° |
| C17 | N19 | C20 | 112.9° | 111.2° |
| C18 | C17 | H17 | 101.4° | 110.2° |
| C17 | C18 | C41 | 111.0° | 109.5° |
| C17 | C18 | H181 | 111.6° | 109.5° |
| C17 | C18 | H182 | 111.6° | 109.5° |
| C23 | N19 | C20 | 120.6° | 124.3° |
| N19 | C23 | C24 | 112.6° | 109.4° |
| N19 | C23 | H231 | 111.0° | 109.5° |
| N19 | C23 | H232 | 111.0° | 109.5° |
| N19 | C20 | O21 | 125.2° | 124.5° |
| C24 | C23 | H231 | 111.1° | 109.5° |
| C24 | C23 | H232 | 111.1° | 109.4° |
| C23 | C24 | C32 | 121.2° | 119.9° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| H231 | C23 | H232 | 99.2° | 109.5° |
| C32 | C24 | C25 | 118.5° | 120.1° |
| C24 | C32 | C31 | 122.7° | 120.1° |
| C24 | C32 | H32 | 119.3° | 120.0° |
| C24 | C25 | C26 | 118.6° | 120.0° |
| C24 | C25 | H25 | 121.8° | 119.9° |
| C31 | C32 | H32 | 118.0° | 119.9° |
| C32 | C31 | C30 | 117.2° | 120.1° |
| C32 | C31 | H31 | 121.7° | 120.0° |
| C30 | C31 | H31 | 121.1° | 120.0° |
| C31 | C30 | C26 | 122.1° | 119.8° |
| C31 | C30 | O29 | 128.4° | 131.6° |
| C26 | C30 | O29 | 109.0° | 108.6° |
| C30 | C26 | C25 | 121.0° | 119.9° |
| C30 | C26 | O27 | 110.6° | 108.6° |
| C30 | O29 | C28 | 104.4° | 105.5° |
| C25 | C26 | O27 | 125.9° | 131.5° |
| C26 | C25 | H25 | 119.6° | 120.1° |
| C26 | O27 | C28 | 100.8° | 105.5° |
| O27 | C28 | O29 | 107.7° | 103.7° |
| O27 | C28 | H281 | 112.8° | 110.6° |
| O27 | C28 | H282 | 112.8° | 110.6° |
| O29 | C28 | H281 | 112.9° | 110.6° |
| O29 | C28 | H282 | 112.9° | 110.5° |
| H281 | C28 | H282 | 97.6° | 110.6° |
| C41 | C18 | H181 | 111.6° | 109.4° |
| C41 | C18 | H182 | 111.7° | 109.4° |
| C18 | C41 | H411 | 111.1° | 109.5° |
| C18 | C41 | H412 | 111.6° | 109.4° |
| C18 | C41 | H413 | 111.7° | 109.5° |
| H181 | C18 | H182 | 98.8° | 109.5° |
| H411 | C41 | H412 | 111.7° | 109.5° |
| H411 | C41 | H413 | 111.6° | 109.5° |
| H412 | C41 | H413 | 98.7° | 109.5° |
| C9 | C8 | H8 | 120.7° | 120.0° |
| C8 | C9 | H9 | 120.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | HN11 | HN12 | 125.2° | 180.0° |
| N1 | C3 | N2 | C4 | 179.3° | 180.0° |
| N1 | C3 | N2 | HN2 | 147.5° | 0.0° |
| N1 | C3 | C4 | C5 | 176.6° | 180.0° |
| N1 | C3 | C4 | C9 | 4.8° | 0.1° |
| HN11 | N1 | C3 | N2 | 180.0° | 0.0° |
| HN11 | N1 | C3 | C4 | 0.7° | 180.0° |
| HN12 | N1 | C3 | N2 | 54.8° | 180.0° |
| HN12 | N1 | C3 | C4 | 125.9° | 0.0° |
| N2 | C3 | C4 | C5 | 4.2° | 0.0° |
| N2 | C3 | C4 | C9 | 174.5° | 180.0° |
| C4 | C3 | N2 | HN2 | 31.8° | 180.0° |
| C3 | C4 | C5 | C9 | 178.6° | 179.9° |
| C3 | C4 | C5 | C6 | 179.8° | 179.9° |
| C3 | C4 | C5 | H5 | 0.2° | 0.0° |
| C3 | C4 | C9 | C8 | 179.8° | 179.8° |
| C3 | C4 | C9 | H9 | 0.2° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 1.5° | 0.3° |
| C5 | C4 | C9 | H9 | 178.5° | 180.0° |
| C9 | C4 | C5 | C6 | 1.6° | 0.0° |
| C9 | C4 | C5 | H5 | 178.5° | 179.9° |
| C4 | C9 | C8 | C7 | 0.0° | 0.6° |
| C4 | C9 | C8 | H9 | 180.0° | 179.7° |
| C4 | C9 | C8 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C10 | 175.5° | 180.0° |
| C5 | C6 | C7 | C8 | 1.5° | 0.2° |
| H5 | C5 | C6 | C7 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| C6 | C7 | C10 | C8 | 173.8° | 179.8° |
| C6 | C7 | C10 | C22 | 89.8° | 88.6° |
| C6 | C7 | C10 | N11 | 146.3° | 157.2° |
| C6 | C7 | C10 | H10 | 24.9° | 34.3° |
| C6 | C7 | C8 | C9 | 1.5° | 0.5° |
| C6 | C7 | C8 | H8 | 178.5° | 180.0° |
| H6 | C6 | C7 | C10 | 4.5° | 0.0° |
| H6 | C6 | C7 | C8 | 178.5° | 179.8° |
| C7 | C10 | C22 | N11 | 127.2° | 118.6° |
| C7 | C10 | C22 | H10 | 110.4° | 122.8° |
| C7 | C10 | N11 | H10 | 111.6° | 122.9° |
| C7 | C10 | C22 | C16 | 169.5° | 155.9° |
| C7 | C10 | C22 | C20 | 60.1° | 45.8° |
| C7 | C10 | C22 | H22 | 62.9° | 81.4° |
| C7 | C10 | N11 | C15 | 172.8° | 158.3° |
| C7 | C10 | N11 | C12 | 65.6° | 88.6° |
| C10 | C7 | C8 | C9 | 175.3° | 179.7° |
| C10 | C7 | C8 | H8 | 4.7° | 0.2° |
| C8 | C7 | C10 | C22 | 84.0° | 91.6° |
| C8 | C7 | C10 | N11 | 39.8° | 22.5° |
| C8 | C7 | C10 | H10 | 161.3° | 145.5° |
| C7 | C8 | C9 | H8 | 180.0° | 179.5° |
| C7 | C8 | C9 | H9 | 180.0° | 179.8° |
| C22 | C10 | N11 | H10 | 116.8° | 118.5° |
| C10 | C22 | C16 | C20 | 116.7° | 114.0° |
| C10 | C22 | C16 | H22 | 121.9° | 122.6° |
| C10 | C22 | C20 | H22 | 123.5° | 127.2° |
| C10 | C22 | C16 | C15 | 25.7° | 21.3° |
| C10 | C22 | C16 | C17 | 144.9° | 135.8° |
| C10 | C22 | C16 | H16 | 94.3° | 102.7° |
| C22 | C10 | N11 | C15 | 41.2° | 39.8° |
| C22 | C10 | N11 | C12 | 162.8° | 152.8° |
| C10 | C22 | C20 | N19 | 125.0° | 122.0° |
| C10 | C22 | C20 | O21 | 54.5° | 56.5° |
| N11 | C10 | C22 | C16 | 42.4° | 37.3° |
| N11 | C10 | C22 | C20 | 67.1° | 72.8° |
| N11 | C10 | C22 | H22 | 170.0° | 160.0° |
| C10 | N11 | C15 | C16 | 24.1° | 26.1° |
| C10 | N11 | C15 | C13 | 145.7° | 93.7° |
| C10 | N11 | C15 | C14 | 88.1° | 145.1° |
| C10 | N11 | C15 | C12 | 121.6° | 113.3° |
| C10 | N11 | C12 | H121 | 180.0° | 64.8° |
| C10 | N11 | C12 | H122 | 54.7° | 55.2° |
| C10 | N11 | C12 | H123 | 54.8° | 175.3° |
| H10 | C10 | C22 | C16 | 80.1° | 81.3° |
| H10 | C10 | C22 | C20 | 170.5° | 168.6° |
| H10 | C10 | C22 | H22 | 47.5° | 41.4° |
| H10 | C10 | N11 | C15 | 75.6° | 78.8° |
| H10 | C10 | N11 | C12 | 45.9° | 34.3° |
| C16 | C22 | C20 | H22 | 127.8° | 123.6° |
| C22 | C16 | C15 | C17 | 110.8° | 109.2° |
| C22 | C16 | C15 | H16 | 127.2° | 124.2° |
| C22 | C16 | C17 | H16 | 127.0° | 121.7° |
| C22 | C16 | C15 | C13 | 128.3° | 117.3° |
| C22 | C16 | C15 | C14 | 114.1° | 121.0° |
| C22 | C16 | C15 | N11 | 1.6° | 2.1° |
| C22 | C16 | C17 | N19 | 30.8° | 23.7° |
| C22 | C16 | C17 | C18 | 93.6° | 95.4° |
| C22 | C16 | C17 | H17 | 151.8° | 142.9° |
| C16 | C22 | C20 | N19 | 16.3° | 12.9° |
| C16 | C22 | C20 | O21 | 163.2° | 165.7° |
| C20 | C22 | C16 | C15 | 91.0° | 92.7° |
| C20 | C22 | C16 | C17 | 28.3° | 21.8° |
| C20 | C22 | C16 | H16 | 149.0° | 143.4° |
| C22 | C20 | N19 | C17 | 4.0° | 2.7° |
| C22 | C20 | N19 | C23 | 177.2° | 178.8° |
| C22 | C20 | N19 | O21 | 179.5° | 178.5° |
| H22 | C22 | C16 | C15 | 147.6° | 143.9° |
| H22 | C22 | C16 | C17 | 93.2° | 101.7° |
| H22 | C22 | C16 | H16 | 27.5° | 19.9° |
| H22 | C22 | C20 | N19 | 111.5° | 110.7° |
| H22 | C22 | C20 | O21 | 69.0° | 70.7° |
| C15 | C16 | C17 | H16 | 121.1° | 126.6° |
| C16 | C15 | C13 | C14 | 113.7° | 121.7° |
| C16 | C15 | C13 | N11 | 122.7° | 117.1° |
| C16 | C15 | C14 | N11 | 114.2° | 116.8° |
| C16 | C15 | C13 | H131 | 180.0° | 178.6° |
| C16 | C15 | C13 | H132 | 54.8° | 58.5° |
| C16 | C15 | C13 | H133 | 54.7° | 61.4° |
| C16 | C15 | C14 | H141 | 180.0° | 178.2° |
| C16 | C15 | C14 | H142 | 54.8° | 61.8° |
| C16 | C15 | C14 | H143 | 54.8° | 58.2° |
| C16 | C15 | N11 | C12 | 145.6° | 139.3° |
| C15 | C16 | C17 | N19 | 81.0° | 87.9° |
| C15 | C16 | C17 | C18 | 154.5° | 153.0° |
| C15 | C16 | C17 | H17 | 40.0° | 31.3° |
| C17 | C16 | C15 | C13 | 17.5° | 133.6° |
| C17 | C16 | C15 | C14 | 135.1° | 11.8° |
| C17 | C16 | C15 | N11 | 112.4° | 107.1° |
| C16 | C17 | N19 | C18 | 124.0° | 119.1° |
| C16 | C17 | N19 | H17 | 121.5° | 119.2° |
| C16 | C17 | C18 | H17 | 121.0° | 121.7° |
| C16 | C17 | N19 | C23 | 158.7° | 164.1° |
| C16 | C17 | N19 | C20 | 22.5° | 17.4° |
| C16 | C17 | C18 | C41 | 86.9° | 174.3° |
| C16 | C17 | C18 | H181 | 38.4° | 65.7° |
| C16 | C17 | C18 | H182 | 147.9° | 54.3° |
| H16 | C16 | C15 | C13 | 104.5° | 6.9° |
| H16 | C16 | C15 | C14 | 13.1° | 114.9° |
| H16 | C16 | C15 | N11 | 125.6° | 126.2° |
| H16 | C16 | C17 | N19 | 157.9° | 145.4° |
| H16 | C16 | C17 | C18 | 33.4° | 26.3° |
| H16 | C16 | C17 | H17 | 81.1° | 95.4° |
| C13 | C15 | C14 | N11 | 131.6° | 121.1° |
| C15 | C13 | H131 | H132 | 125.2° | 120.0° |
| C15 | C13 | H131 | H133 | 125.3° | 120.0° |
| C15 | C13 | H132 | H133 | 119.4° | 120.0° |
| C13 | C15 | C14 | H141 | 65.8° | 59.7° |
| C13 | C15 | C14 | H142 | 169.0° | 60.3° |
| C13 | C15 | C14 | H143 | 59.4° | 179.7° |
| C13 | C15 | N11 | C12 | 92.7° | 19.6° |
| C14 | C15 | C13 | H131 | 66.3° | 59.7° |
| C14 | C15 | C13 | H132 | 58.9° | 179.7° |
| C14 | C15 | C13 | H133 | 168.4° | 60.3° |
| C15 | C14 | H141 | H142 | 125.3° | 120.0° |
| C15 | C14 | H141 | H143 | 125.3° | 120.0° |
| C15 | C14 | H142 | H143 | 119.8° | 120.0° |
| C14 | C15 | N11 | C12 | 33.4° | 101.6° |
| N11 | C15 | C13 | H131 | 57.4° | 61.4° |
| N11 | C15 | C13 | H132 | 177.5° | 58.6° |
| N11 | C15 | C13 | H133 | 68.0° | 178.6° |
| N11 | C15 | C14 | H141 | 65.8° | 61.5° |
| N11 | C15 | C14 | H142 | 59.5° | 178.6° |
| N11 | C15 | C14 | H143 | 169.0° | 58.5° |
| C15 | N11 | C12 | H121 | 64.5° | 177.5° |
| C15 | N11 | C12 | H122 | 170.1° | 57.5° |
| C15 | N11 | C12 | H123 | 60.7° | 62.6° |
| H131 | C13 | H132 | H133 | 119.5° | 120.0° |
| H141 | C14 | H142 | H143 | 119.6° | 120.0° |
| N11 | C12 | H121 | H122 | 125.3° | 120.0° |
| N11 | C12 | H121 | H123 | 125.2° | 120.0° |
| N11 | C12 | H122 | H123 | 116.9° | 120.1° |
| H121 | C12 | H122 | H123 | 116.8° | 120.0° |
| N19 | C17 | C18 | H17 | 120.6° | 121.8° |
| C17 | N19 | C23 | C20 | 178.7° | 178.4° |
| C17 | N19 | C23 | C24 | 111.6° | 97.3° |
| C17 | N19 | C23 | H231 | 123.1° | 22.8° |
| C17 | N19 | C23 | H232 | 13.7° | 142.8° |
| C17 | N19 | C20 | O21 | 176.5° | 178.8° |
| N19 | C17 | C18 | C41 | 154.7° | 69.2° |
| N19 | C17 | C18 | H181 | 80.0° | 50.8° |
| N19 | C17 | C18 | H182 | 29.5° | 170.8° |
| C18 | C17 | N19 | C23 | 77.3° | 76.9° |
| C18 | C17 | N19 | C20 | 101.5° | 101.7° |
| C17 | C18 | C41 | H181 | 125.2° | 120.0° |
| C17 | C18 | C41 | H182 | 125.2° | 120.0° |
| C17 | C18 | H181 | H182 | 117.5° | 120.1° |
| C17 | C18 | C41 | H411 | 180.0° | 172.0° |
| C17 | C18 | C41 | H412 | 54.7° | 68.0° |
| C17 | C18 | C41 | H413 | 54.7° | 52.0° |
| H17 | C17 | N19 | C23 | 37.2° | 44.9° |
| H17 | C17 | N19 | C20 | 144.0° | 136.6° |
| H17 | C17 | C18 | C41 | 34.2° | 52.6° |
| H17 | C17 | C18 | H181 | 159.4° | 172.6° |
| H17 | C17 | C18 | H182 | 91.1° | 67.4° |
| N19 | C23 | C24 | H231 | 125.3° | 120.0° |
| N19 | C23 | C24 | H232 | 125.2° | 120.0° |
| N19 | C23 | H231 | H232 | 116.9° | 120.0° |
| N19 | C23 | C24 | C32 | 115.3° | 90.0° |
| N19 | C23 | C24 | C25 | 67.9° | 90.3° |
| C23 | N19 | C20 | O21 | 2.3° | 0.2° |
| C20 | N19 | C23 | C24 | 67.0° | 84.3° |
| C20 | N19 | C23 | H231 | 58.3° | 155.6° |
| C20 | N19 | C23 | H232 | 167.7° | 35.6° |
| C24 | C23 | H231 | H232 | 117.0° | 120.0° |
| C23 | C24 | C32 | C25 | 176.9° | 179.7° |
| C23 | C24 | C32 | C31 | 176.3° | 179.9° |
| C23 | C24 | C32 | H32 | 3.7° | 0.1° |
| C23 | C24 | C25 | C26 | 177.0° | 179.8° |
| C23 | C24 | C25 | H25 | 3.0° | 0.0° |
| H231 | C23 | C24 | C32 | 10.0° | 30.0° |
| H231 | C23 | C24 | C25 | 166.9° | 149.7° |
| H232 | C23 | C24 | C32 | 119.5° | 150.0° |
| H232 | C23 | C24 | C25 | 57.4° | 29.7° |
| C24 | C32 | C31 | H32 | 180.0° | 180.0° |
| C24 | C32 | C31 | C30 | 1.3° | 0.0° |
| C24 | C32 | C31 | H31 | 178.7° | 179.9° |
| C32 | C24 | C25 | C26 | 0.0° | 0.5° |
| C32 | C24 | C25 | H25 | 180.0° | 179.7° |
| C25 | C24 | C32 | C31 | 0.6° | 0.2° |
| C25 | C24 | C32 | H32 | 179.3° | 179.7° |
| C24 | C25 | C26 | C30 | 0.0° | 0.5° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | O27 | 160.3° | 179.8° |
| C32 | C31 | C30 | H31 | 180.0° | 179.9° |
| C32 | C31 | C30 | C26 | 1.3° | 0.0° |
| C32 | C31 | C30 | O29 | 172.1° | 180.0° |
| H32 | C32 | C31 | C30 | 178.7° | 180.0° |
| H32 | C32 | C31 | H31 | 1.3° | 0.1° |
| C31 | C30 | C26 | O29 | 172.4° | 180.0° |
| C31 | C30 | C26 | C25 | 0.7° | 0.3° |
| C31 | C30 | C26 | O27 | 162.3° | 180.0° |
| C31 | C30 | O29 | C28 | 179.6° | 162.7° |
| H31 | C31 | C30 | C26 | 178.7° | 179.9° |
| H31 | C31 | C30 | O29 | 7.9° | 0.1° |
| C30 | C26 | C25 | O27 | 160.2° | 179.7° |
| C30 | C26 | C25 | H25 | 180.0° | 179.7° |
| C30 | C26 | O27 | C28 | 23.0° | 17.3° |
| C26 | C30 | O29 | C28 | 7.8° | 17.3° |
| O29 | C30 | C26 | C25 | 173.1° | 179.7° |
| O29 | C30 | C26 | O27 | 10.1° | 0.0° |
| C30 | O29 | C28 | O27 | 22.5° | 27.1° |
| C30 | O29 | C28 | H281 | 147.7° | 91.4° |
| C30 | O29 | C28 | H282 | 102.8° | 145.7° |
| C25 | C26 | O27 | C28 | 175.1° | 163.0° |
| O27 | C26 | C25 | H25 | 19.7° | 0.0° |
| C26 | O27 | C28 | O29 | 27.4° | 27.1° |
| C26 | O27 | C28 | H281 | 152.7° | 91.4° |
| C26 | O27 | C28 | H282 | 97.9° | 145.6° |
| O27 | C28 | O29 | H281 | 125.3° | 118.6° |
| O27 | C28 | O29 | H282 | 125.2° | 118.6° |
| O27 | C28 | H281 | H282 | 118.7° | 122.9° |
| O29 | C28 | H281 | H282 | 118.8° | 122.7° |
| C41 | C18 | H181 | H182 | 117.6° | 119.9° |
| C18 | C41 | H411 | H412 | 125.3° | 120.0° |
| C18 | C41 | H411 | H413 | 125.3° | 120.0° |
| C18 | C41 | H412 | H413 | 117.5° | 120.0° |
| H181 | C18 | C41 | H411 | 54.7° | 68.0° |
| H181 | C18 | C41 | H412 | 179.9° | 52.0° |
| H181 | C18 | C41 | H413 | 70.5° | 172.0° |
| H182 | C18 | C41 | H411 | 54.8° | 51.9° |
| H182 | C18 | C41 | H412 | 70.5° | 171.9° |
| H182 | C18 | C41 | H413 | 179.9° | 68.0° |
| H411 | C41 | H412 | H413 | 117.5° | 120.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.3° |
