BNE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.61Å | |
| C1 | C3 | sing | 1.50Å | 1.62Å | |
| C1 | C4 | sing | 1.53Å | 1.60Å | |
| C1 | C5 | sing | 1.53Å | 1.59Å | |
| C2 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.44Å | Aromatic |
| C3 | N8 | sing | 1.33Å | 1.43Å | |
| C3 | O9 | doub | 1.21Å | 1.25Å | |
| C4 | C10 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C11 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.10Å | |
| N8 | C14 | sing | 1.46Å | 1.47Å | |
| N8 | C15 | sing | 1.46Å | 1.47Å | |
| C10 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | O17 | sing | 1.36Å | 1.43Å | |
| C12 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| O17 | C19 | sing | 1.36Å | 1.41Å | |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.40Å | 1.44Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C23 | sing | 1.43Å | 1.43Å | |
| C21 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C22 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H221 | sing | 1.08Å | 1.10Å | |
| C23 | N26 | trip | 1.14Å | 1.15Å | |
| C24 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C24 | C27 | sing | 1.51Å | 1.55Å | |
| C25 | H251 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.56Å | |
| C27 | N30 | sing | 1.47Å | 1.47Å | |
| C28 | N31 | sing | 1.37Å | 1.38Å | Aromatic |
| C28 | C32 | doub | 1.35Å | 1.40Å | Aromatic |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| N30 | H301 | sing | 1.01Å | 1.02Å | |
| N30 | H302 | sing | 1.01Å | 1.02Å | |
| N31 | C33 | sing | 1.35Å | 1.35Å | Aromatic |
| N31 | C34 | sing | 1.47Å | 1.46Å | |
| C32 | NZ | sing | 1.34Å | 1.37Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | NZ | doub | 1.31Å | 1.32Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C34 | H343 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 114.0° | 109.2° |
| C2 | C1 | C4 | 106.9° | 109.2° |
| C2 | C1 | C5 | 110.7° | 109.2° |
| C1 | C2 | C6 | 119.9° | 120.0° |
| C1 | C2 | C7 | 124.2° | 120.0° |
| C3 | C1 | C4 | 112.9° | 110.6° |
| C3 | C1 | C5 | 105.4° | 109.3° |
| C1 | C3 | N8 | 121.2° | 124.8° |
| C1 | C3 | O9 | 119.5° | 117.6° |
| C4 | C1 | C5 | 106.7° | 109.3° |
| C1 | C4 | C10 | 119.1° | 108.8° |
| C1 | C4 | H41 | 108.8° | 109.6° |
| C1 | C4 | H42 | 108.7° | 109.6° |
| C1 | C5 | C11 | 117.0° | 109.5° |
| C1 | C5 | H51 | 109.5° | 109.4° |
| C1 | C5 | H52 | 109.5° | 109.5° |
| C6 | C2 | C7 | 115.9° | 120.1° |
| C2 | C6 | C12 | 123.8° | 120.0° |
| C2 | C6 | H61 | 117.6° | 120.0° |
| C2 | C7 | C13 | 121.2° | 120.1° |
| C2 | C7 | H71 | 119.8° | 119.9° |
| N8 | C3 | O9 | 119.3° | 117.6° |
| C3 | N8 | C14 | 127.2° | 124.1° |
| C3 | N8 | C15 | 118.9° | 117.9° |
| C10 | C4 | H41 | 108.7° | 109.6° |
| C10 | C4 | H42 | 108.8° | 109.5° |
| C4 | C10 | C16 | 114.8° | 109.4° |
| C4 | C10 | H101 | 110.3° | 109.5° |
| C4 | C10 | H102 | 110.3° | 109.4° |
| H41 | C4 | H42 | 101.3° | 109.7° |
| C11 | C5 | H51 | 109.5° | 109.5° |
| C11 | C5 | H52 | 109.5° | 109.5° |
| C5 | C11 | H111 | 109.5° | 109.5° |
| C5 | C11 | H112 | 117.0° | 109.4° |
| C5 | C11 | H113 | 109.5° | 109.5° |
| H51 | C5 | H52 | 100.6° | 109.5° |
| C12 | C6 | H61 | 118.7° | 120.0° |
| C6 | C12 | O17 | 120.2° | 120.1° |
| C6 | C12 | C18 | 119.1° | 119.8° |
| C13 | C7 | H71 | 119.0° | 120.0° |
| C7 | C13 | C18 | 120.8° | 120.0° |
| C7 | C13 | H131 | 120.0° | 120.0° |
| C14 | N8 | C15 | 113.8° | 117.9° |
| N8 | C14 | C16 | 112.3° | 110.2° |
| N8 | C14 | H141 | 111.1° | 109.3° |
| N8 | C14 | H142 | 111.2° | 109.3° |
| N8 | C15 | H151 | 108.8° | 109.5° |
| N8 | C15 | H152 | 118.9° | 109.5° |
| N8 | C15 | H153 | 108.8° | 109.5° |
| C16 | C10 | H101 | 110.3° | 109.5° |
| C16 | C10 | H102 | 110.3° | 109.5° |
| C10 | C16 | C14 | 113.6° | 108.4° |
| C10 | C16 | H161 | 110.7° | 109.7° |
| C10 | C16 | H162 | 110.7° | 109.7° |
| H101 | C10 | H102 | 100.0° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 100.6° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| O17 | C12 | C18 | 120.8° | 120.1° |
| C12 | O17 | C19 | 116.6° | 106.8° |
| C12 | C18 | C13 | 119.2° | 120.0° |
| C12 | C18 | H181 | 120.1° | 120.0° |
| C18 | C13 | H131 | 119.2° | 120.0° |
| C13 | C18 | H181 | 120.6° | 120.0° |
| C16 | C14 | H141 | 111.2° | 109.4° |
| C16 | C14 | H142 | 111.1° | 109.4° |
| C14 | C16 | H161 | 110.7° | 109.6° |
| C14 | C16 | H162 | 110.7° | 109.7° |
| H141 | C14 | H142 | 99.2° | 109.3° |
| H151 | C15 | H152 | 108.8° | 109.5° |
| H151 | C15 | H153 | 101.2° | 109.5° |
| H152 | C15 | H153 | 108.8° | 109.5° |
| H161 | C16 | H162 | 99.6° | 109.8° |
| O17 | C19 | C20 | 123.4° | 120.2° |
| O17 | C19 | C21 | 117.0° | 120.1° |
| C20 | C19 | C21 | 119.5° | 119.7° |
| C19 | C20 | C22 | 119.4° | 119.6° |
| C19 | C20 | C23 | 121.9° | 120.2° |
| C19 | C21 | C24 | 121.7° | 120.0° |
| C19 | C21 | H211 | 118.8° | 120.0° |
| C22 | C20 | C23 | 118.5° | 120.2° |
| C20 | C22 | C25 | 120.5° | 119.9° |
| C20 | C22 | H221 | 119.7° | 120.0° |
| C20 | C23 | N26 | 176.7° | 180.0° |
| C24 | C21 | H211 | 119.4° | 119.9° |
| C21 | C24 | C25 | 117.5° | 120.4° |
| C21 | C24 | C27 | 122.0° | 119.7° |
| C25 | C22 | H221 | 119.8° | 120.1° |
| C22 | C25 | C24 | 121.3° | 120.3° |
| C22 | C25 | H251 | 118.7° | 119.8° |
| C25 | C24 | C27 | 120.5° | 119.8° |
| C24 | C25 | H251 | 120.0° | 119.9° |
| C24 | C27 | C28 | 113.5° | 109.4° |
| C24 | C27 | C29 | 110.8° | 109.5° |
| C24 | C27 | N30 | 109.0° | 109.5° |
| C28 | C27 | C29 | 108.5° | 109.5° |
| C28 | C27 | N30 | 106.3° | 109.4° |
| C27 | C28 | N31 | 125.7° | 126.6° |
| C27 | C28 | C32 | 130.9° | 126.6° |
| C29 | C27 | N30 | 108.6° | 109.5° |
| C27 | C29 | H291 | 111.7° | 109.5° |
| C27 | C29 | H292 | 110.8° | 109.5° |
| C27 | C29 | H293 | 111.7° | 109.4° |
| C27 | N30 | H301 | 112.4° | 106.7° |
| C27 | N30 | H302 | 109.0° | 106.7° |
| N31 | C28 | C32 | 103.3° | 106.8° |
| C28 | N31 | C33 | 106.2° | 107.2° |
| C28 | N31 | C34 | 132.5° | 126.4° |
| C28 | C32 | NZ | 113.3° | 108.0° |
| C28 | C32 | H321 | 124.3° | 126.0° |
| H291 | C29 | H292 | 111.7° | 109.5° |
| H291 | C29 | H293 | 98.7° | 109.5° |
| H292 | C29 | H293 | 111.7° | 109.5° |
| H301 | N30 | H302 | 112.3° | 106.7° |
| C33 | N31 | C34 | 121.3° | 126.4° |
| N31 | C33 | NZ | 115.4° | 108.7° |
| N31 | C33 | H331 | 123.6° | 125.7° |
| N31 | C34 | H341 | 104.2° | 109.4° |
| N31 | C34 | H342 | 132.5° | 109.4° |
| N31 | C34 | H343 | 104.3° | 109.5° |
| NZ | C32 | H321 | 122.4° | 126.0° |
| C32 | NZ | C33 | 101.9° | 109.3° |
| NZ | C33 | H331 | 121.0° | 125.6° |
| H341 | C34 | H342 | 104.2° | 109.5° |
| H341 | C34 | H343 | 104.6° | 109.5° |
| H342 | C34 | H343 | 104.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 122.3° | 120.2° |
| C2 | C1 | C3 | C5 | 121.7° | 119.4° |
| C2 | C1 | C4 | C5 | 118.5° | 119.5° |
| C1 | C2 | C6 | C7 | 179.1° | 179.8° |
| C2 | C1 | C3 | N8 | 67.2° | 150.8° |
| C2 | C1 | C3 | O9 | 112.7° | 29.3° |
| C2 | C1 | C4 | C10 | 58.8° | 149.9° |
| C2 | C1 | C4 | H41 | 175.9° | 90.3° |
| C2 | C1 | C4 | H42 | 66.4° | 30.1° |
| C2 | C1 | C5 | C11 | 46.1° | 53.0° |
| C2 | C1 | C5 | H51 | 79.2° | 173.0° |
| C2 | C1 | C5 | H52 | 171.3° | 67.0° |
| C1 | C2 | C6 | C12 | 179.2° | 179.7° |
| C1 | C2 | C6 | H61 | 0.8° | 0.2° |
| C1 | C2 | C7 | C13 | 179.3° | 180.0° |
| C1 | C2 | C7 | H71 | 0.7° | 0.0° |
| C3 | C1 | C4 | C5 | 115.3° | 120.3° |
| C3 | C1 | C2 | C6 | 13.5° | 67.0° |
| C3 | C1 | C2 | C7 | 167.4° | 112.8° |
| C1 | C3 | N8 | O9 | 179.9° | 179.9° |
| C3 | C1 | C4 | C10 | 67.3° | 89.9° |
| C3 | C1 | C4 | H41 | 58.0° | 29.9° |
| C3 | C1 | C4 | H42 | 167.4° | 150.3° |
| C3 | C1 | C5 | C11 | 77.7° | 172.4° |
| C3 | C1 | C5 | H51 | 157.0° | 67.6° |
| C3 | C1 | C5 | H52 | 47.6° | 52.4° |
| C1 | C3 | N8 | C14 | 2.4° | 5.7° |
| C1 | C3 | N8 | C15 | 179.3° | 174.2° |
| C4 | C1 | C2 | C6 | 139.0° | 172.0° |
| C4 | C1 | C2 | C7 | 42.0° | 8.2° |
| C4 | C1 | C3 | N8 | 55.1° | 30.6° |
| C4 | C1 | C3 | O9 | 125.0° | 149.5° |
| C1 | C4 | C10 | H41 | 125.3° | 119.8° |
| C1 | C4 | C10 | H42 | 125.2° | 119.8° |
| C1 | C4 | H41 | H42 | 114.4° | 120.4° |
| C4 | C1 | C5 | C11 | 162.1° | 66.4° |
| C4 | C1 | C5 | H51 | 36.8° | 53.5° |
| C4 | C1 | C5 | H52 | 72.6° | 173.5° |
| C1 | C4 | C10 | C16 | 62.2° | 59.9° |
| C1 | C4 | C10 | H101 | 172.5° | 179.9° |
| C1 | C4 | C10 | H102 | 63.1° | 60.0° |
| C5 | C1 | C2 | C6 | 105.1° | 52.5° |
| C5 | C1 | C2 | C7 | 73.9° | 127.7° |
| C5 | C1 | C3 | N8 | 171.1° | 89.8° |
| C5 | C1 | C3 | O9 | 9.0° | 90.1° |
| C5 | C1 | C4 | C10 | 177.4° | 30.4° |
| C5 | C1 | C4 | H41 | 57.4° | 150.2° |
| C5 | C1 | C4 | H42 | 52.1° | 89.3° |
| C1 | C5 | C11 | H51 | 125.3° | 119.9° |
| C1 | C5 | C11 | H52 | 125.3° | 120.0° |
| C1 | C5 | H51 | H52 | 115.2° | 120.0° |
| C1 | C5 | C11 | H111 | 54.7° | 62.8° |
| C1 | C5 | C11 | H112 | 180.0° | 57.3° |
| C1 | C5 | C11 | H113 | 54.7° | 177.2° |
| C2 | C6 | C12 | H61 | 180.0° | 179.5° |
| C6 | C2 | C7 | C13 | 0.2° | 0.2° |
| C6 | C2 | C7 | H71 | 179.8° | 179.8° |
| C2 | C6 | C12 | O17 | 180.0° | 179.8° |
| C2 | C6 | C12 | C18 | 0.2° | 0.5° |
| C7 | C2 | C6 | C12 | 0.1° | 0.5° |
| C7 | C2 | C6 | H61 | 179.9° | 180.0° |
| C2 | C7 | C13 | H71 | 180.0° | 180.0° |
| C2 | C7 | C13 | C18 | 0.2° | 0.1° |
| C2 | C7 | C13 | H131 | 179.8° | 180.0° |
| C3 | N8 | C14 | C15 | 178.4° | 180.0° |
| C3 | N8 | C14 | C16 | 61.1° | 52.6° |
| C3 | N8 | C14 | H141 | 64.2° | 67.6° |
| C3 | N8 | C14 | H142 | 173.7° | 172.8° |
| C3 | N8 | C15 | H151 | 54.7° | 180.0° |
| C3 | N8 | C15 | H152 | 180.0° | 60.0° |
| C3 | N8 | C15 | H153 | 54.8° | 60.0° |
| O9 | C3 | N8 | C14 | 177.7° | 174.4° |
| O9 | C3 | N8 | C15 | 0.6° | 5.7° |
| C10 | C4 | H41 | H42 | 114.5° | 120.3° |
| C4 | C10 | C16 | H101 | 125.3° | 120.0° |
| C4 | C10 | C16 | H102 | 125.3° | 119.9° |
| C4 | C10 | H101 | H102 | 116.1° | 120.0° |
| C4 | C10 | C16 | C14 | 69.9° | 32.8° |
| C4 | C10 | C16 | H161 | 55.3° | 152.5° |
| C4 | C10 | C16 | H162 | 164.8° | 86.9° |
| H41 | C4 | C10 | C16 | 63.1° | 59.9° |
| H41 | C4 | C10 | H101 | 62.2° | 60.1° |
| H41 | C4 | C10 | H102 | 171.7° | 179.8° |
| H42 | C4 | C10 | C16 | 172.5° | 179.7° |
| H42 | C4 | C10 | H101 | 47.3° | 60.3° |
| H42 | C4 | C10 | H102 | 62.2° | 59.8° |
| C11 | C5 | H51 | H52 | 115.3° | 120.0° |
| C5 | C11 | H111 | H112 | 129.5° | 120.0° |
| C5 | C11 | H111 | H113 | 115.3° | 120.0° |
| C5 | C11 | H112 | H113 | 125.3° | 120.0° |
| H51 | C5 | C11 | H111 | 180.0° | 57.2° |
| H51 | C5 | C11 | H112 | 54.7° | 177.2° |
| H51 | C5 | C11 | H113 | 70.5° | 62.8° |
| H52 | C5 | C11 | H111 | 70.5° | 177.2° |
| H52 | C5 | C11 | H112 | 54.8° | 62.8° |
| H52 | C5 | C11 | H113 | 180.0° | 57.2° |
| C6 | C12 | O17 | C18 | 179.8° | 179.8° |
| C6 | C12 | C18 | C13 | 0.2° | 0.2° |
| C6 | C12 | O17 | C19 | 9.3° | 96.2° |
| C6 | C12 | C18 | H181 | 179.8° | 179.8° |
| H61 | C6 | C12 | O17 | 0.0° | 0.2° |
| H61 | C6 | C12 | C18 | 179.9° | 180.0° |
| C7 | C13 | C18 | C12 | 0.0° | 0.1° |
| C7 | C13 | C18 | H131 | 180.0° | 179.9° |
| C7 | C13 | C18 | H181 | 180.0° | 180.0° |
| H71 | C7 | C13 | C18 | 179.8° | 179.9° |
| H71 | C7 | C13 | H131 | 0.2° | 0.0° |
| N8 | C14 | C16 | C10 | 83.9° | 93.0° |
| N8 | C14 | C16 | H141 | 125.2° | 120.2° |
| N8 | C14 | C16 | H142 | 125.3° | 120.2° |
| N8 | C14 | H141 | H142 | 117.1° | 119.6° |
| C14 | N8 | C15 | H151 | 126.7° | 0.1° |
| C14 | N8 | C15 | H152 | 1.5° | 120.0° |
| C14 | N8 | C15 | H153 | 123.8° | 120.0° |
| N8 | C14 | C16 | H161 | 41.3° | 147.3° |
| N8 | C14 | C16 | H162 | 150.8° | 26.7° |
| C15 | N8 | C14 | C16 | 117.3° | 127.4° |
| C15 | N8 | C14 | H141 | 117.5° | 112.4° |
| C15 | N8 | C14 | H142 | 8.0° | 7.1° |
| N8 | C15 | H151 | H152 | 131.0° | 120.0° |
| N8 | C15 | H151 | H153 | 114.5° | 120.0° |
| N8 | C15 | H152 | H153 | 125.2° | 120.0° |
| C16 | C10 | H101 | H102 | 116.1° | 120.1° |
| C10 | C16 | C14 | H161 | 125.2° | 119.7° |
| C10 | C16 | C14 | H162 | 125.3° | 119.7° |
| C10 | C16 | C14 | H141 | 41.3° | 27.2° |
| C10 | C16 | C14 | H142 | 150.8° | 146.8° |
| C10 | C16 | H161 | H162 | 116.6° | 120.6° |
| H101 | C10 | C16 | C14 | 164.8° | 87.2° |
| H101 | C10 | C16 | H161 | 70.0° | 32.5° |
| H101 | C10 | C16 | H162 | 39.5° | 153.1° |
| H102 | C10 | C16 | C14 | 55.3° | 152.8° |
| H102 | C10 | C16 | H161 | 179.4° | 87.6° |
| H102 | C10 | C16 | H162 | 69.9° | 33.0° |
| H111 | C11 | H112 | H113 | 109.4° | 120.0° |
| O17 | C12 | C18 | C13 | 179.9° | 179.9° |
| O17 | C12 | C18 | H181 | 0.0° | 0.0° |
| C12 | O17 | C19 | C20 | 91.4° | 177.0° |
| C12 | O17 | C19 | C21 | 87.9° | 3.3° |
| C12 | C18 | C13 | H181 | 180.0° | 179.9° |
| C12 | C18 | C13 | H131 | 180.0° | 180.0° |
| C18 | C12 | O17 | C19 | 170.8° | 83.6° |
| H131 | C13 | C18 | H181 | 0.0° | 0.1° |
| C16 | C14 | H141 | H142 | 117.0° | 119.7° |
| C14 | C16 | H161 | H162 | 116.5° | 120.5° |
| H141 | C14 | C16 | H161 | 166.5° | 92.5° |
| H141 | C14 | C16 | H162 | 84.0° | 146.9° |
| H142 | C14 | C16 | H161 | 84.0° | 27.1° |
| H142 | C14 | C16 | H162 | 25.5° | 93.5° |
| H151 | C15 | H152 | H153 | 109.5° | 120.0° |
| O17 | C19 | C20 | C21 | 179.3° | 179.7° |
| O17 | C19 | C20 | C22 | 179.7° | 179.7° |
| O17 | C19 | C20 | C23 | 4.0° | 0.3° |
| O17 | C19 | C21 | C24 | 179.2° | 180.0° |
| O17 | C19 | C21 | H211 | 0.8° | 0.0° |
| C19 | C20 | C22 | C23 | 175.8° | 179.4° |
| C20 | C19 | C21 | C24 | 0.1° | 0.3° |
| C20 | C19 | C21 | H211 | 179.9° | 179.7° |
| C19 | C20 | C22 | C25 | 0.5° | 0.6° |
| C19 | C20 | C22 | H221 | 179.5° | 179.7° |
| C19 | C20 | C23 | N26 | 48.3° | 151.7° |
| C21 | C19 | C20 | C22 | 0.4° | 0.6° |
| C21 | C19 | C20 | C23 | 175.3° | 180.0° |
| C19 | C21 | C24 | H211 | 180.0° | 180.0° |
| C19 | C21 | C24 | C25 | 0.4° | 0.0° |
| C19 | C21 | C24 | C27 | 179.9° | 180.0° |
| C20 | C22 | C25 | H221 | 180.0° | 179.7° |
| C22 | C20 | C23 | N26 | 127.4° | 27.7° |
| C20 | C22 | C25 | C24 | 0.2° | 0.3° |
| C20 | C22 | C25 | H251 | 179.8° | 179.7° |
| C23 | C20 | C22 | C25 | 175.3° | 180.0° |
| C23 | C20 | C22 | H221 | 4.7° | 0.2° |
| C21 | C24 | C25 | C22 | 0.3° | 0.0° |
| C21 | C24 | C25 | C27 | 179.7° | 180.0° |
| C21 | C24 | C25 | H251 | 179.7° | 180.0° |
| C21 | C24 | C27 | C28 | 54.6° | 141.7° |
| C21 | C24 | C27 | C29 | 67.8° | 98.4° |
| C21 | C24 | C27 | N30 | 172.8° | 21.7° |
| H211 | C21 | C24 | C25 | 179.6° | 180.0° |
| H211 | C21 | C24 | C27 | 0.1° | 0.0° |
| C22 | C25 | C24 | H251 | 180.0° | 180.0° |
| C22 | C25 | C24 | C27 | 180.0° | 180.0° |
| H221 | C22 | C25 | C24 | 179.8° | 180.0° |
| H221 | C22 | C25 | H251 | 0.2° | 0.0° |
| C25 | C24 | C27 | C28 | 125.1° | 38.3° |
| C25 | C24 | C27 | C29 | 112.6° | 81.7° |
| C25 | C24 | C27 | N30 | 6.9° | 158.3° |
| C27 | C24 | C25 | H251 | 0.0° | 0.0° |
| C24 | C27 | C28 | C29 | 123.6° | 120.0° |
| C24 | C27 | C28 | N30 | 119.8° | 120.0° |
| C24 | C27 | C29 | N30 | 119.7° | 120.1° |
| C24 | C27 | C28 | N31 | 53.0° | 52.9° |
| C24 | C27 | C28 | C32 | 126.5° | 126.8° |
| C24 | C27 | C29 | H291 | 54.7° | 60.0° |
| C24 | C27 | C29 | H292 | 180.0° | 180.0° |
| C24 | C27 | C29 | H293 | 54.7° | 60.0° |
| C24 | C27 | N30 | H301 | 54.8° | 171.4° |
| C24 | C27 | N30 | H302 | 180.0° | 57.6° |
| C28 | C27 | C29 | N30 | 115.1° | 120.0° |
| C27 | C28 | N31 | C32 | 179.7° | 179.7° |
| C28 | C27 | C29 | H291 | 70.4° | 60.0° |
| C28 | C27 | C29 | H292 | 54.8° | 60.0° |
| C28 | C27 | C29 | H293 | 179.9° | 180.0° |
| C28 | C27 | N30 | H301 | 177.4° | 51.5° |
| C28 | C27 | N30 | H302 | 57.4° | 62.3° |
| C27 | C28 | N31 | C33 | 179.4° | 179.9° |
| C27 | C28 | N31 | C34 | 0.4° | 0.3° |
| C27 | C28 | C32 | NZ | 179.5° | 180.0° |
| C27 | C28 | C32 | H321 | 0.5° | 0.1° |
| C29 | C27 | C28 | N31 | 176.6° | 172.8° |
| C29 | C27 | C28 | C32 | 2.9° | 6.8° |
| C27 | C29 | H291 | H292 | 124.8° | 120.0° |
| C27 | C29 | H291 | H293 | 117.6° | 119.9° |
| C27 | C29 | H292 | H293 | 125.3° | 119.9° |
| C29 | C27 | N30 | H301 | 66.1° | 68.5° |
| C29 | C27 | N30 | H302 | 59.1° | 177.7° |
| N30 | C27 | C28 | N31 | 66.8° | 67.1° |
| N30 | C27 | C28 | C32 | 113.7° | 113.2° |
| N30 | C27 | C29 | H291 | 174.5° | 180.0° |
| N30 | C27 | C29 | H292 | 60.3° | 60.0° |
| N30 | C27 | C29 | H293 | 65.0° | 60.0° |
| C27 | N30 | H301 | H302 | 123.4° | 113.8° |
| C28 | N31 | C33 | C34 | 179.8° | 179.6° |
| N31 | C28 | C32 | NZ | 0.1° | 0.3° |
| N31 | C28 | C32 | H321 | 179.9° | 179.8° |
| C28 | N31 | C33 | NZ | 0.4° | 0.4° |
| C28 | N31 | C33 | H331 | 179.6° | 179.9° |
| C28 | N31 | C34 | H341 | 54.8° | 90.5° |
| C28 | N31 | C34 | H342 | 180.0° | 29.5° |
| C28 | N31 | C34 | H343 | 54.7° | 149.5° |
| C32 | C28 | N31 | C33 | 0.3° | 0.4° |
| C32 | C28 | N31 | C34 | 180.0° | 180.0° |
| C28 | C32 | NZ | H321 | 180.0° | 179.9° |
| C28 | C32 | NZ | C33 | 0.1° | 0.0° |
| H291 | C29 | H292 | H293 | 109.5° | 120.1° |
| N31 | C33 | NZ | C32 | 0.3° | 0.3° |
| N31 | C33 | NZ | H331 | 180.0° | 179.7° |
| C33 | N31 | C34 | H341 | 125.5° | 90.0° |
| C33 | N31 | C34 | H342 | 0.3° | 150.1° |
| C33 | N31 | C34 | H343 | 125.0° | 30.1° |
| C34 | N31 | C33 | NZ | 179.8° | 180.0° |
| C34 | N31 | C33 | H331 | 0.2° | 0.2° |
| N31 | C34 | H341 | H342 | 141.6° | 119.9° |
| N31 | C34 | H341 | H343 | 109.2° | 120.0° |
| N31 | C34 | H342 | H343 | 125.3° | 120.0° |
| C32 | NZ | C33 | H331 | 179.7° | 180.0° |
| H321 | C32 | NZ | C33 | 179.9° | 179.9° |
| H341 | C34 | H342 | H343 | 109.5° | 120.1° |
