U49
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C3 | sing | 1.42Å | 1.45Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | N5 | sing | 1.39Å | 1.43Å | |
| C2 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | C8 | doub | 1.40Å | 1.43Å | Aromatic |
| C4 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| N5 | C10 | sing | 1.48Å | 1.48Å | |
| N5 | C11 | sing | 1.34Å | 1.40Å | |
| C6 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | C13 | doub | 1.35Å | 1.42Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.10Å | |
| C8 | C12 | sing | 1.36Å | 1.42Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C9 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | O14 | sing | 1.32Å | 1.42Å | |
| C10 | C15 | sing | 1.54Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C17 | sing | 1.51Å | 1.48Å | |
| C11 | O39 | doub | 1.21Å | 1.20Å | |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| O14 | C18 | sing | 1.31Å | 1.43Å | |
| C15 | C17 | sing | 1.55Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C17 | N54 | sing | 1.48Å | 1.41Å | |
| C17 | H171 | sing | 1.08Å | 1.11Å | |
| C18 | C20 | doub | 1.42Å | 1.44Å | Aromatic |
| C18 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C24 | sing | 1.43Å | 1.44Å | |
| C21 | C25 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C22 | C26 | sing | 1.50Å | 1.49Å | |
| C22 | N54 | sing | 1.47Å | 1.44Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C27 | doub | 1.37Å | 1.43Å | Aromatic |
| C23 | H231 | sing | 1.08Å | 1.10Å | |
| C24 | N28 | trip | 1.14Å | 1.15Å | |
| C25 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | C29 | sing | 1.50Å | 1.53Å | |
| C26 | N30 | sing | 1.37Å | 1.38Å | Aromatic |
| C26 | C31 | doub | 1.34Å | 1.38Å | Aromatic |
| C27 | H271 | sing | 1.08Å | 1.10Å | |
| C29 | N30 | sing | 1.47Å | 1.47Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| N30 | C32 | sing | 1.35Å | 1.36Å | Aromatic |
| C31 | N33 | sing | 1.34Å | 1.36Å | Aromatic |
| C31 | H311 | sing | 1.08Å | 1.10Å | |
| C32 | N33 | doub | 1.31Å | 1.32Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| N54 | H541 | sing | 1.04Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.2° | 117.8° |
| C2 | C1 | C4 | 122.1° | 123.7° |
| C1 | C2 | N5 | 115.8° | 126.5° |
| C1 | C2 | C6 | 119.4° | 119.2° |
| C3 | C1 | C4 | 117.7° | 118.5° |
| C1 | C3 | C7 | 119.6° | 119.8° |
| C1 | C3 | C8 | 119.4° | 120.8° |
| C1 | C4 | C9 | 123.5° | 120.7° |
| C1 | C4 | H41 | 118.2° | 120.4° |
| N5 | C2 | C6 | 124.7° | 114.2° |
| C2 | N5 | C10 | 122.2° | 120.7° |
| C2 | N5 | C11 | 125.6° | 130.5° |
| C2 | C6 | C12 | 120.3° | 122.2° |
| C2 | C6 | H61 | 120.5° | 119.2° |
| C7 | C3 | C8 | 121.1° | 119.4° |
| C3 | C7 | C13 | 120.7° | 119.6° |
| C3 | C7 | H71 | 119.7° | 120.0° |
| C3 | C8 | C12 | 120.3° | 120.2° |
| C3 | C8 | H81 | 120.1° | 119.8° |
| C9 | C4 | H41 | 118.3° | 118.9° |
| C4 | C9 | C13 | 119.0° | 119.7° |
| C4 | C9 | O14 | 121.9° | 124.3° |
| C10 | N5 | C11 | 111.9° | 108.7° |
| N5 | C10 | C15 | 104.8° | 104.5° |
| N5 | C10 | H101 | 114.0° | 110.3° |
| N5 | C10 | H102 | 114.0° | 110.4° |
| N5 | C11 | C17 | 103.0° | 110.5° |
| N5 | C11 | O39 | 129.8° | 125.3° |
| C12 | C6 | H61 | 119.2° | 118.6° |
| C6 | C12 | C8 | 120.3° | 119.5° |
| C6 | C12 | H121 | 119.8° | 120.3° |
| C13 | C7 | H71 | 119.6° | 120.4° |
| C7 | C13 | C9 | 119.5° | 121.4° |
| C7 | C13 | H131 | 120.5° | 119.5° |
| C12 | C8 | H81 | 119.6° | 120.0° |
| C8 | C12 | H121 | 119.9° | 120.2° |
| C13 | C9 | O14 | 118.7° | 116.0° |
| C9 | C13 | H131 | 120.0° | 119.1° |
| C9 | O14 | C18 | 114.1° | 131.2° |
| C15 | C10 | H101 | 114.0° | 110.0° |
| C15 | C10 | H102 | 114.0° | 110.8° |
| C10 | C15 | C17 | 97.5° | 101.0° |
| C10 | C15 | H151 | 116.9° | 111.0° |
| C10 | C15 | H152 | 116.8° | 111.3° |
| H101 | C10 | H102 | 96.5° | 110.8° |
| C17 | C11 | O39 | 127.1° | 124.2° |
| C11 | C17 | C15 | 107.2° | 104.8° |
| C11 | C17 | N54 | 124.9° | 111.3° |
| C11 | C17 | H171 | 119.8° | 111.8° |
| O14 | C18 | C20 | 124.4° | 114.3° |
| O14 | C18 | C21 | 116.0° | 127.7° |
| C17 | C15 | H151 | 116.8° | 111.1° |
| C17 | C15 | H152 | 116.8° | 111.3° |
| C15 | C17 | N54 | 126.7° | 109.2° |
| C15 | C17 | H171 | 113.7° | 110.7° |
| H151 | C15 | H152 | 93.5° | 110.8° |
| N54 | C17 | H171 | 50.8° | 109.1° |
| C17 | N54 | C22 | 106.4° | 105.1° |
| C17 | N54 | H541 | 113.3° | 101.6° |
| C20 | C18 | C21 | 119.6° | 118.0° |
| C18 | C20 | C23 | 119.3° | 121.0° |
| C18 | C20 | C24 | 119.3° | 119.4° |
| C18 | C21 | C25 | 121.4° | 120.6° |
| C18 | C21 | H211 | 118.6° | 120.2° |
| C23 | C20 | C24 | 121.3° | 119.6° |
| C20 | C23 | C27 | 120.7° | 119.2° |
| C20 | C23 | H231 | 119.4° | 120.2° |
| C20 | C24 | N28 | 175.8° | 180.0° |
| C25 | C21 | H211 | 119.9° | 119.2° |
| C21 | C25 | C27 | 118.7° | 120.7° |
| C21 | C25 | C29 | 122.7° | 119.7° |
| C26 | C22 | N54 | 110.2° | 109.2° |
| C26 | C22 | H221 | 111.9° | 109.4° |
| C26 | C22 | H222 | 111.9° | 109.5° |
| C22 | C26 | N30 | 124.8° | 124.7° |
| C22 | C26 | C31 | 130.9° | 128.1° |
| N54 | C22 | H221 | 111.9° | 109.0° |
| N54 | C22 | H222 | 111.9° | 108.5° |
| C22 | N54 | H541 | 113.4° | 101.3° |
| H221 | C22 | H222 | 98.5° | 111.1° |
| C27 | C23 | H231 | 120.0° | 120.6° |
| C23 | C27 | C25 | 120.2° | 120.5° |
| C23 | C27 | H271 | 120.0° | 119.4° |
| C27 | C25 | C29 | 118.7° | 119.6° |
| C25 | C27 | H271 | 119.8° | 120.0° |
| C25 | C29 | N30 | 113.9° | 109.0° |
| C25 | C29 | H291 | 110.6° | 109.5° |
| C25 | C29 | H292 | 110.6° | 109.6° |
| N30 | C26 | C31 | 104.3° | 107.1° |
| C26 | N30 | C29 | 128.3° | 124.9° |
| C26 | N30 | C32 | 107.4° | 107.4° |
| C26 | C31 | N33 | 111.5° | 107.7° |
| C26 | C31 | H311 | 125.0° | 125.8° |
| N30 | C29 | H291 | 110.6° | 109.7° |
| N30 | C29 | H292 | 110.6° | 109.6° |
| C29 | N30 | C32 | 124.3° | 127.7° |
| H291 | C29 | H292 | 99.7° | 109.4° |
| N30 | C32 | N33 | 111.6° | 108.1° |
| N30 | C32 | H321 | 125.4° | 125.9° |
| N33 | C31 | H311 | 123.5° | 126.5° |
| C31 | N33 | C32 | 105.2° | 109.6° |
| N33 | C32 | H321 | 123.0° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 179.6° | 179.8° |
| C1 | C2 | N5 | C6 | 179.9° | 178.7° |
| C2 | C1 | C3 | C7 | 179.8° | 173.9° |
| C2 | C1 | C3 | C8 | 0.3° | 5.8° |
| C2 | C1 | C4 | C9 | 179.3° | 173.6° |
| C2 | C1 | C4 | H41 | 0.7° | 9.0° |
| C1 | C2 | N5 | C10 | 106.6° | 165.1° |
| C1 | C2 | N5 | C11 | 80.1° | 16.5° |
| C1 | C2 | C6 | C12 | 0.1° | 1.9° |
| C1 | C2 | C6 | H61 | 179.9° | 178.7° |
| C3 | C1 | C2 | N5 | 180.0° | 176.1° |
| C3 | C1 | C2 | C6 | 0.2° | 5.2° |
| C1 | C3 | C7 | C8 | 179.9° | 179.7° |
| C3 | C1 | C4 | C9 | 0.3° | 6.6° |
| C3 | C1 | C4 | H41 | 179.7° | 170.8° |
| C1 | C3 | C7 | C13 | 0.6° | 2.6° |
| C1 | C3 | C7 | H71 | 179.4° | 177.7° |
| C1 | C3 | C8 | C12 | 0.1° | 3.0° |
| C1 | C3 | C8 | H81 | 179.9° | 177.0° |
| C4 | C1 | C2 | N5 | 0.5° | 4.1° |
| C4 | C1 | C2 | C6 | 179.4° | 174.6° |
| C4 | C1 | C3 | C7 | 0.6° | 6.3° |
| C4 | C1 | C3 | C8 | 179.3° | 174.0° |
| C1 | C4 | C9 | H41 | 180.0° | 177.4° |
| C1 | C4 | C9 | C13 | 1.3° | 3.1° |
| C1 | C4 | C9 | O14 | 172.1° | 176.0° |
| C2 | N5 | C10 | C11 | 174.1° | 178.7° |
| N5 | C2 | C6 | C12 | 179.8° | 179.3° |
| N5 | C2 | C6 | H61 | 0.3° | 0.1° |
| C2 | N5 | C10 | C15 | 159.8° | 149.3° |
| C2 | N5 | C10 | H101 | 34.6° | 31.1° |
| C2 | N5 | C10 | H102 | 74.9° | 91.6° |
| C2 | N5 | C11 | C17 | 175.3° | 162.2° |
| C2 | N5 | C11 | O39 | 5.7° | 18.9° |
| C6 | C2 | N5 | C10 | 73.2° | 13.6° |
| C6 | C2 | N5 | C11 | 100.1° | 164.8° |
| C2 | C6 | C12 | H61 | 180.0° | 179.4° |
| C2 | C6 | C12 | C8 | 0.3° | 1.1° |
| C2 | C6 | C12 | H121 | 179.7° | 178.7° |
| C3 | C7 | C13 | H71 | 180.0° | 179.7° |
| C7 | C3 | C8 | C12 | 180.0° | 176.8° |
| C7 | C3 | C8 | H81 | 0.0° | 3.3° |
| C3 | C7 | C13 | C9 | 0.4° | 1.0° |
| C3 | C7 | C13 | H131 | 179.6° | 178.9° |
| C3 | C8 | C12 | C6 | 0.2° | 0.6° |
| C8 | C3 | C7 | C13 | 179.4° | 177.7° |
| C8 | C3 | C7 | H71 | 0.6° | 2.0° |
| C3 | C8 | C12 | H81 | 180.0° | 179.9° |
| C3 | C8 | C12 | H121 | 179.8° | 179.3° |
| C4 | C9 | C13 | C7 | 1.3° | 0.8° |
| C4 | C9 | C13 | O14 | 173.5° | 179.1° |
| C4 | C9 | C13 | H131 | 178.7° | 179.1° |
| C4 | C9 | O14 | C18 | 33.9° | 27.5° |
| H41 | C4 | C9 | C13 | 178.7° | 174.3° |
| H41 | C4 | C9 | O14 | 7.9° | 6.7° |
| N5 | C10 | C15 | H101 | 125.2° | 118.4° |
| N5 | C10 | C15 | H102 | 125.2° | 118.8° |
| N5 | C10 | H101 | H102 | 119.9° | 122.5° |
| C10 | N5 | C11 | C17 | 10.8° | 19.2° |
| C10 | N5 | C11 | O39 | 168.2° | 159.6° |
| N5 | C10 | C15 | C17 | 31.5° | 30.3° |
| N5 | C10 | C15 | H151 | 93.8° | 87.5° |
| N5 | C10 | C15 | H152 | 156.7° | 148.5° |
| C11 | N5 | C10 | C15 | 14.3° | 32.0° |
| C11 | N5 | C10 | H101 | 139.6° | 150.2° |
| C11 | N5 | C10 | H102 | 110.9° | 87.1° |
| N5 | C11 | C17 | O39 | 179.0° | 178.8° |
| N5 | C11 | C17 | C15 | 32.5° | 1.2° |
| N5 | C11 | C17 | N54 | 159.7° | 119.1° |
| N5 | C11 | C17 | H171 | 99.0° | 118.7° |
| C6 | C12 | C8 | H121 | 180.0° | 179.8° |
| C6 | C12 | C8 | H81 | 179.8° | 179.5° |
| H61 | C6 | C12 | C8 | 179.7° | 178.3° |
| H61 | C6 | C12 | H121 | 0.3° | 1.9° |
| C7 | C13 | C9 | H131 | 180.0° | 179.9° |
| C7 | C13 | C9 | O14 | 172.3° | 179.9° |
| H71 | C7 | C13 | C9 | 179.6° | 178.7° |
| H71 | C7 | C13 | H131 | 0.4° | 1.3° |
| H81 | C8 | C12 | H121 | 0.2° | 0.7° |
| C13 | C9 | O14 | C18 | 139.4° | 153.4° |
| O14 | C9 | C13 | H131 | 7.7° | 0.0° |
| C9 | O14 | C18 | C20 | 65.2° | 171.9° |
| C9 | O14 | C18 | C21 | 114.5° | 8.9° |
| C15 | C10 | H101 | H102 | 119.9° | 122.8° |
| C10 | C15 | C17 | C11 | 39.6° | 19.6° |
| C10 | C15 | C17 | H151 | 125.3° | 117.8° |
| C10 | C15 | C17 | H152 | 125.2° | 118.2° |
| C10 | C15 | H151 | H152 | 122.5° | 124.2° |
| C10 | C15 | C17 | N54 | 152.9° | 138.9° |
| C10 | C15 | C17 | H171 | 95.2° | 101.1° |
| H101 | C10 | C15 | C17 | 156.7° | 148.7° |
| H101 | C10 | C15 | H151 | 31.4° | 30.9° |
| H101 | C10 | C15 | H152 | 78.0° | 93.1° |
| H102 | C10 | C15 | C17 | 93.8° | 88.5° |
| H102 | C10 | C15 | H151 | 141.0° | 153.7° |
| H102 | C10 | C15 | H152 | 31.5° | 29.7° |
| C11 | C17 | C15 | N54 | 167.5° | 119.3° |
| C11 | C17 | C15 | H171 | 134.7° | 120.6° |
| C11 | C17 | C15 | H151 | 85.7° | 98.3° |
| C11 | C17 | C15 | H152 | 164.8° | 137.7° |
| C11 | C17 | N54 | H171 | 102.3° | 123.7° |
| C11 | C17 | N54 | C22 | 113.0° | 47.4° |
| C11 | C17 | N54 | H541 | 12.3° | 152.6° |
| O39 | C11 | C17 | C15 | 146.5° | 180.0° |
| O39 | C11 | C17 | N54 | 21.2° | 62.0° |
| O39 | C11 | C17 | H171 | 82.0° | 60.2° |
| O14 | C18 | C20 | C21 | 179.8° | 179.3° |
| O14 | C18 | C20 | C23 | 179.3° | 179.9° |
| O14 | C18 | C20 | C24 | 0.9° | 0.3° |
| O14 | C18 | C21 | C25 | 179.7° | 178.9° |
| O14 | C18 | C21 | H211 | 0.3° | 2.0° |
| C17 | C15 | H151 | H152 | 122.6° | 124.2° |
| C15 | C17 | N54 | H171 | 92.3° | 121.0° |
| C15 | C17 | N54 | C22 | 81.6° | 162.6° |
| C15 | C17 | N54 | H541 | 153.1° | 92.1° |
| H151 | C15 | C17 | N54 | 81.8° | 21.0° |
| H151 | C15 | C17 | H171 | 139.5° | 141.1° |
| H152 | C15 | C17 | N54 | 27.7° | 102.9° |
| H152 | C15 | C17 | H171 | 30.1° | 17.1° |
| C17 | N54 | C22 | C26 | 130.5° | 153.4° |
| C17 | N54 | C22 | H541 | 125.3° | 105.5° |
| C17 | N54 | C22 | H221 | 5.3° | 33.9° |
| C17 | N54 | C22 | H222 | 104.2° | 87.3° |
| H171 | C17 | N54 | C22 | 10.7° | 76.3° |
| H171 | C17 | N54 | H541 | 114.6° | 28.9° |
| C18 | C20 | C23 | C24 | 179.8° | 179.6° |
| C20 | C18 | C21 | C25 | 0.1° | 1.9° |
| C20 | C18 | C21 | H211 | 179.9° | 177.2° |
| C18 | C20 | C23 | C27 | 0.4° | 0.5° |
| C18 | C20 | C23 | H231 | 179.6° | 179.0° |
| C18 | C20 | C24 | N28 | 7.0° | 153.7° |
| C21 | C18 | C20 | C23 | 0.5° | 0.8° |
| C21 | C18 | C20 | C24 | 179.3° | 179.6° |
| C18 | C21 | C25 | H211 | 180.0° | 179.1° |
| C18 | C21 | C25 | C27 | 0.5° | 1.7° |
| C18 | C21 | C25 | C29 | 179.5° | 178.3° |
| C20 | C23 | C27 | H231 | 180.0° | 179.5° |
| C23 | C20 | C24 | N28 | 173.2° | 26.0° |
| C20 | C23 | C27 | C25 | 0.2° | 0.7° |
| C20 | C23 | C27 | H271 | 179.8° | 179.1° |
| C24 | C20 | C23 | C27 | 179.4° | 179.1° |
| C24 | C20 | C23 | H231 | 0.6° | 1.4° |
| C21 | C25 | C27 | C23 | 0.6° | 0.4° |
| C21 | C25 | C27 | C29 | 180.0° | 180.0° |
| C21 | C25 | C27 | H271 | 179.4° | 179.8° |
| C21 | C25 | C29 | N30 | 35.4° | 113.0° |
| C21 | C25 | C29 | H291 | 160.6° | 7.0° |
| C21 | C25 | C29 | H292 | 89.9° | 127.0° |
| H211 | C21 | C25 | C27 | 179.5° | 177.4° |
| H211 | C21 | C25 | C29 | 0.5° | 2.6° |
| C26 | C22 | N54 | H221 | 125.3° | 119.5° |
| C26 | C22 | N54 | H222 | 125.2° | 119.3° |
| C26 | C22 | H221 | H222 | 117.8° | 121.1° |
| C22 | C26 | N30 | C31 | 179.5° | 179.5° |
| C22 | C26 | N30 | C29 | 0.1° | 1.4° |
| C22 | C26 | N30 | C32 | 179.4° | 178.8° |
| C22 | C26 | C31 | N33 | 179.3° | 179.0° |
| C22 | C26 | C31 | H311 | 0.7° | 0.8° |
| C26 | C22 | N54 | H541 | 5.3° | 47.9° |
| N54 | C22 | H221 | H222 | 117.8° | 119.6° |
| N54 | C22 | C26 | N30 | 164.9° | 99.7° |
| N54 | C22 | C26 | C31 | 15.7° | 80.9° |
| H221 | C22 | C26 | N30 | 39.6° | 141.0° |
| H221 | C22 | C26 | C31 | 141.0° | 38.4° |
| H221 | C22 | N54 | H541 | 120.0° | 71.6° |
| H222 | C22 | C26 | N30 | 69.9° | 19.0° |
| H222 | C22 | C26 | C31 | 109.5° | 160.4° |
| H222 | C22 | N54 | H541 | 130.5° | 167.2° |
| C23 | C27 | C25 | H271 | 180.0° | 179.9° |
| C23 | C27 | C25 | C29 | 179.4° | 179.7° |
| H231 | C23 | C27 | C25 | 179.8° | 178.7° |
| H231 | C23 | C27 | H271 | 0.2° | 1.4° |
| C27 | C25 | C29 | N30 | 144.7° | 67.0° |
| C27 | C25 | C29 | H291 | 19.4° | 172.9° |
| C27 | C25 | C29 | H292 | 90.1° | 53.0° |
| C25 | C29 | N30 | C26 | 68.5° | 74.1° |
| C29 | C25 | C27 | H271 | 0.6° | 0.2° |
| C25 | C29 | N30 | H291 | 125.3° | 119.9° |
| C25 | C29 | N30 | H292 | 125.3° | 120.0° |
| C25 | C29 | H291 | H292 | 116.4° | 120.1° |
| C25 | C29 | N30 | C32 | 112.3° | 106.1° |
| C26 | N30 | C29 | C32 | 179.2° | 179.8° |
| C26 | N30 | C29 | H291 | 56.7° | 45.8° |
| C26 | N30 | C29 | H292 | 166.2° | 166.0° |
| N30 | C26 | C31 | N33 | 0.2° | 0.5° |
| N30 | C26 | C31 | H311 | 179.8° | 179.7° |
| C26 | N30 | C32 | N33 | 0.1° | 0.7° |
| C26 | N30 | C32 | H321 | 179.9° | 179.7° |
| C31 | C26 | N30 | C29 | 179.4° | 179.1° |
| C31 | C26 | N30 | C32 | 0.2° | 0.7° |
| C26 | C31 | N33 | H311 | 180.0° | 179.8° |
| C26 | C31 | N33 | C32 | 0.1° | 0.1° |
| N30 | C29 | H291 | H292 | 116.5° | 120.3° |
| C29 | N30 | C32 | N33 | 179.4° | 179.2° |
| C29 | N30 | C32 | H321 | 0.6° | 0.4° |
| H291 | C29 | N30 | C32 | 122.4° | 134.0° |
| H292 | C29 | N30 | C32 | 13.0° | 13.9° |
| N30 | C32 | N33 | C31 | 0.0° | 0.4° |
| N30 | C32 | N33 | H321 | 180.0° | 179.6° |
| C31 | N33 | C32 | H321 | 180.0° | 180.0° |
| H311 | C31 | N33 | C32 | 179.9° | 179.9° |
