C4A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | N7 | sing | 1.47Å | 1.45Å | |
| C6 | C13 | sing | 1.51Å | 1.59Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | O9 | doub | 1.22Å | 1.23Å | |
| C8 | N7 | sing | 1.35Å | 1.34Å | |
| C8 | O10 | sing | 1.35Å | 1.34Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| O10 | C11 | sing | 1.45Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| O14 | C13 | doub | 1.21Å | 1.43Å | |
| C15 | N16 | doub | 1.31Å | 1.35Å | Aromatic |
| C15 | N38 | sing | 1.35Å | 1.34Å | Aromatic |
| C15 | C13 | sing | 1.48Å | 1.49Å | |
| N16 | O17 | sing | 1.21Å | 1.30Å | Aromatic |
| O17 | C18 | sing | 1.34Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C18 | N38 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.45Å | Aromatic |
| C20 | C25 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.40Å | 1.45Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.40Å | 1.45Å | Aromatic |
| C23 | C26 | sing | 1.48Å | 1.41Å | |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | O27 | doub | 1.22Å | 1.24Å | |
| C26 | N28 | sing | 1.35Å | 1.34Å | |
| N28 | C29 | sing | 1.47Å | 1.43Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.54Å | 1.55Å | |
| C29 | C33 | sing | 1.54Å | 1.56Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.45Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
| C31 | C37 | sing | 1.39Å | 1.43Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.46Å | |
| C32 | C34 | sing | 1.38Å | 1.44Å | Aromatic |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.44Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.38Å | 1.44Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.38Å | 1.44Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 109.5° | 106.7° |
| C2 | N1 | HN12 | 109.5° | 106.7° |
| N1 | C2 | C3 | 110.9° | 109.5° |
| N1 | C2 | H21A | 108.7° | 109.4° |
| N1 | C2 | H22A | 109.0° | 109.5° |
| HN11 | N1 | HN12 | 109.5° | 106.7° |
| C3 | C2 | H21A | 108.7° | 109.5° |
| C3 | C2 | H22A | 109.0° | 109.4° |
| C2 | C3 | C4 | 112.7° | 109.4° |
| C2 | C3 | H31 | 107.7° | 109.5° |
| C2 | C3 | H32 | 108.4° | 109.4° |
| H21A | C2 | H22A | 110.6° | 109.5° |
| C5 | C4 | C3 | 111.9° | 109.4° |
| C5 | C4 | H41 | 108.1° | 109.5° |
| C5 | C4 | H42 | 108.7° | 109.5° |
| C4 | C5 | C6 | 114.6° | 109.4° |
| C4 | C5 | H51 | 106.6° | 109.5° |
| C4 | C5 | H52 | 107.8° | 109.5° |
| C3 | C4 | H41 | 108.1° | 109.5° |
| C3 | C4 | H42 | 108.7° | 109.4° |
| C4 | C3 | H31 | 107.7° | 109.5° |
| C4 | C3 | H32 | 108.4° | 109.5° |
| H41 | C4 | H42 | 111.4° | 109.5° |
| C6 | C5 | H51 | 106.7° | 109.4° |
| C6 | C5 | H52 | 107.8° | 109.5° |
| C5 | C6 | N7 | 108.9° | 109.5° |
| C5 | C6 | C13 | 111.7° | 109.5° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| H51 | C5 | H52 | 113.5° | 109.5° |
| N7 | C6 | C13 | 109.8° | 109.5° |
| N7 | C6 | H6 | 110.4° | 109.5° |
| C6 | N7 | C8 | 128.3° | 120.0° |
| C6 | N7 | HN7 | 115.8° | 120.0° |
| C13 | C6 | H6 | 107.5° | 109.4° |
| C6 | C13 | O14 | 111.0° | 120.0° |
| C6 | C13 | C15 | 112.5° | 120.0° |
| H31 | C3 | H32 | 112.0° | 109.5° |
| O9 | C8 | N7 | 121.9° | 120.0° |
| O9 | C8 | O10 | 121.3° | 120.0° |
| N7 | C8 | O10 | 116.8° | 120.0° |
| C8 | N7 | HN7 | 115.9° | 120.0° |
| C8 | O10 | C11 | 128.3° | 120.0° |
| O10 | C11 | C12 | 110.3° | 109.4° |
| O10 | C11 | H111 | 109.0° | 109.5° |
| O10 | C11 | H112 | 109.2° | 109.5° |
| C12 | C11 | H111 | 109.0° | 109.4° |
| C12 | C11 | H112 | 109.2° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.4° |
| C11 | C12 | H122 | 109.4° | 109.5° |
| C11 | C12 | H123 | 109.5° | 109.5° |
| H111 | C11 | H112 | 110.1° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.4° |
| H122 | C12 | H123 | 109.4° | 109.5° |
| O14 | C13 | C15 | 106.8° | 120.0° |
| N16 | C15 | N38 | 108.1° | 107.1° |
| N16 | C15 | C13 | 126.9° | 126.5° |
| C15 | N16 | O17 | 109.6° | 110.1° |
| N38 | C15 | C13 | 125.0° | 126.4° |
| C15 | N38 | C18 | 106.2° | 105.6° |
| N16 | O17 | C18 | 106.7° | 110.0° |
| O17 | C18 | C19 | 125.4° | 126.4° |
| O17 | C18 | N38 | 109.4° | 107.2° |
| C19 | C18 | N38 | 125.2° | 126.5° |
| C18 | C19 | C20 | 113.9° | 109.5° |
| C18 | C19 | H191 | 107.0° | 109.5° |
| C18 | C19 | H192 | 108.0° | 109.5° |
| C20 | C19 | H191 | 107.0° | 109.5° |
| C20 | C19 | H192 | 108.0° | 109.4° |
| C19 | C20 | C21 | 120.8° | 119.9° |
| C19 | C20 | C25 | 120.8° | 119.9° |
| H191 | C19 | H192 | 113.0° | 109.4° |
| C21 | C20 | C25 | 118.4° | 120.3° |
| C20 | C21 | C22 | 120.7° | 120.2° |
| C20 | C21 | H21 | 119.7° | 119.9° |
| C20 | C25 | C24 | 120.8° | 120.2° |
| C20 | C25 | H25 | 119.6° | 120.0° |
| C22 | C21 | H21 | 119.6° | 119.9° |
| C21 | C22 | C23 | 121.4° | 119.8° |
| C21 | C22 | H22 | 119.3° | 120.1° |
| C23 | C22 | H22 | 119.3° | 120.1° |
| C22 | C23 | C24 | 117.4° | 119.7° |
| C22 | C23 | C26 | 121.2° | 120.2° |
| C24 | C23 | C26 | 121.5° | 120.1° |
| C23 | C24 | C25 | 121.4° | 119.8° |
| C23 | C24 | H24 | 119.3° | 120.0° |
| C23 | C26 | O27 | 119.8° | 119.9° |
| C23 | C26 | N28 | 121.1° | 120.0° |
| C25 | C24 | H24 | 119.3° | 120.1° |
| C24 | C25 | H25 | 119.6° | 119.9° |
| O27 | C26 | N28 | 119.1° | 120.1° |
| C26 | N28 | C29 | 126.9° | 120.0° |
| C26 | N28 | H28 | 116.6° | 120.0° |
| C29 | N28 | H28 | 116.5° | 120.0° |
| N28 | C29 | C30 | 114.2° | 110.8° |
| N28 | C29 | C33 | 113.4° | 110.9° |
| N28 | C29 | H29 | 102.0° | 110.7° |
| C30 | C29 | C33 | 105.3° | 102.4° |
| C30 | C29 | H29 | 110.6° | 110.8° |
| C29 | C30 | C31 | 101.8° | 105.1° |
| C29 | C30 | H301 | 113.7° | 110.3° |
| C29 | C30 | H302 | 112.1° | 110.3° |
| C33 | C29 | H29 | 111.4° | 111.0° |
| C29 | C33 | C32 | 101.4° | 105.2° |
| C29 | C33 | H331 | 114.0° | 110.3° |
| C29 | C33 | H332 | 112.2° | 110.3° |
| C31 | C30 | H301 | 113.7° | 110.3° |
| C31 | C30 | H302 | 112.1° | 110.3° |
| C30 | C31 | C32 | 111.0° | 109.8° |
| C30 | C31 | C37 | 127.9° | 130.4° |
| H301 | C30 | H302 | 103.7° | 110.4° |
| C32 | C31 | C37 | 121.1° | 119.8° |
| C31 | C32 | C33 | 110.9° | 109.7° |
| C31 | C32 | C34 | 120.7° | 119.9° |
| C31 | C37 | C36 | 118.7° | 120.2° |
| C31 | C37 | H37 | 120.7° | 119.9° |
| C33 | C32 | C34 | 128.3° | 130.4° |
| C32 | C33 | H331 | 114.0° | 110.3° |
| C32 | C33 | H332 | 112.3° | 110.3° |
| C32 | C34 | C35 | 118.7° | 120.2° |
| C32 | C34 | H34 | 120.6° | 119.9° |
| H331 | C33 | H332 | 103.4° | 110.3° |
| C35 | C34 | H34 | 120.6° | 119.9° |
| C34 | C35 | C36 | 120.3° | 120.0° |
| C34 | C35 | H35 | 119.8° | 120.1° |
| C36 | C35 | H35 | 119.8° | 120.0° |
| C35 | C36 | C37 | 120.4° | 119.9° |
| C35 | C36 | H36 | 119.8° | 120.1° |
| C37 | C36 | H36 | 119.8° | 120.0° |
| C36 | C37 | H37 | 120.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 120.0° | 113.8° |
| N1 | C2 | C3 | H21A | 119.4° | 120.0° |
| N1 | C2 | C3 | H22A | 120.0° | 120.0° |
| N1 | C2 | H21A | H22A | 119.6° | 120.0° |
| N1 | C2 | C3 | C4 | 151.6° | 180.0° |
| N1 | C2 | C3 | H31 | 89.8° | 60.0° |
| N1 | C2 | C3 | H32 | 31.6° | 60.0° |
| HN11 | N1 | C2 | C3 | 39.6° | 66.2° |
| HN11 | N1 | C2 | H21A | 159.0° | 53.8° |
| HN11 | N1 | C2 | H22A | 80.4° | 173.8° |
| HN12 | N1 | C2 | C3 | 159.6° | 180.0° |
| HN12 | N1 | C2 | H21A | 81.0° | 60.0° |
| HN12 | N1 | C2 | H22A | 39.6° | 60.0° |
| C3 | C2 | H21A | H22A | 119.6° | 120.0° |
| C2 | C3 | C4 | C5 | 164.4° | 180.0° |
| C2 | C3 | C4 | H31 | 118.6° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | C4 | H41 | 45.4° | 60.0° |
| C2 | C3 | C4 | H42 | 75.6° | 60.0° |
| C2 | C3 | H31 | H32 | 119.1° | 120.0° |
| H21A | C2 | C3 | C4 | 32.2° | 60.0° |
| H21A | C2 | C3 | H31 | 150.8° | 180.0° |
| H21A | C2 | C3 | H32 | 87.8° | 60.0° |
| H22A | C2 | C3 | C4 | 88.4° | 60.0° |
| H22A | C2 | C3 | H31 | 30.2° | 60.0° |
| H22A | C2 | C3 | H32 | 151.6° | 180.0° |
| C5 | C4 | C3 | H41 | 118.9° | 120.0° |
| C5 | C4 | C3 | H42 | 120.0° | 120.0° |
| C5 | C4 | H41 | H42 | 119.3° | 120.1° |
| C4 | C5 | C6 | H51 | 117.7° | 119.9° |
| C4 | C5 | C6 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 118.6° | 120.1° |
| C4 | C5 | C6 | N7 | 89.5° | 65.0° |
| C4 | C5 | C6 | C13 | 149.0° | 175.0° |
| C4 | C5 | C6 | H6 | 30.7° | 55.1° |
| C5 | C4 | C3 | H31 | 45.7° | 60.0° |
| C5 | C4 | C3 | H32 | 75.6° | 60.0° |
| C3 | C4 | H41 | H42 | 119.3° | 120.0° |
| C3 | C4 | C5 | C6 | 172.3° | 180.0° |
| C3 | C4 | C5 | H51 | 54.6° | 60.0° |
| C3 | C4 | C5 | H52 | 67.6° | 60.0° |
| C4 | C3 | H31 | H32 | 119.1° | 120.0° |
| H41 | C4 | C5 | C6 | 53.4° | 60.1° |
| H41 | C4 | C5 | H51 | 64.4° | 180.0° |
| H41 | C4 | C5 | H52 | 173.4° | 60.0° |
| H41 | C4 | C3 | H31 | 73.2° | 180.0° |
| H41 | C4 | C3 | H32 | 165.4° | 60.0° |
| H42 | C4 | C5 | C6 | 67.7° | 60.0° |
| H42 | C4 | C5 | H51 | 174.6° | 59.9° |
| H42 | C4 | C5 | H52 | 52.3° | 179.9° |
| H42 | C4 | C3 | H31 | 165.7° | 60.0° |
| H42 | C4 | C3 | H32 | 44.4° | 180.0° |
| C6 | C5 | H51 | H52 | 118.6° | 120.0° |
| C5 | C6 | N7 | C13 | 122.6° | 120.0° |
| C5 | C6 | N7 | H6 | 119.0° | 120.0° |
| C5 | C6 | C13 | H6 | 118.9° | 120.0° |
| C5 | C6 | N7 | C8 | 139.7° | 85.0° |
| C5 | C6 | N7 | HN7 | 40.3° | 95.0° |
| C5 | C6 | C13 | O14 | 58.8° | 105.0° |
| C5 | C6 | C13 | C15 | 178.4° | 75.0° |
| H51 | C5 | C6 | N7 | 28.2° | 55.0° |
| H51 | C5 | C6 | C13 | 93.2° | 65.1° |
| H51 | C5 | C6 | H6 | 148.4° | 175.0° |
| H52 | C5 | C6 | N7 | 150.5° | 175.0° |
| H52 | C5 | C6 | C13 | 29.0° | 54.9° |
| H52 | C5 | C6 | H6 | 89.4° | 65.0° |
| N7 | C6 | C13 | H6 | 120.2° | 120.0° |
| C6 | N7 | C8 | O9 | 0.2° | 0.0° |
| C6 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C6 | N7 | C8 | O10 | 179.8° | 180.0° |
| N7 | C6 | C13 | O14 | 179.7° | 15.0° |
| N7 | C6 | C13 | C15 | 60.7° | 165.0° |
| C13 | C6 | N7 | C8 | 97.6° | 155.0° |
| C13 | C6 | N7 | HN7 | 82.4° | 25.0° |
| C6 | C13 | O14 | C15 | 123.0° | 180.0° |
| C6 | C13 | C15 | N16 | 97.2° | 0.0° |
| C6 | C13 | C15 | N38 | 82.3° | 179.7° |
| H6 | C6 | N7 | C8 | 20.8° | 35.1° |
| H6 | C6 | N7 | HN7 | 159.2° | 144.9° |
| H6 | C6 | C13 | O14 | 60.1° | 135.0° |
| H6 | C6 | C13 | C15 | 59.5° | 45.0° |
| O9 | C8 | N7 | O10 | 179.5° | 180.0° |
| O9 | C8 | N7 | HN7 | 179.8° | 180.0° |
| O9 | C8 | O10 | C11 | 14.1° | 0.0° |
| N7 | C8 | O10 | C11 | 166.4° | 180.0° |
| O10 | C8 | N7 | HN7 | 0.2° | 0.0° |
| C8 | O10 | C11 | C12 | 163.3° | 179.9° |
| C8 | O10 | C11 | H111 | 43.7° | 60.0° |
| C8 | O10 | C11 | H112 | 76.7° | 60.0° |
| O10 | C11 | C12 | H111 | 119.7° | 120.0° |
| O10 | C11 | C12 | H112 | 120.0° | 120.0° |
| O10 | C11 | H111 | H112 | 119.8° | 120.0° |
| O10 | C11 | C12 | H121 | 173.1° | 180.0° |
| O10 | C11 | C12 | H122 | 66.9° | 60.0° |
| O10 | C11 | C12 | H123 | 53.1° | 60.0° |
| C12 | C11 | H111 | H112 | 119.7° | 120.0° |
| C11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H123 | 120.0° | 119.9° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 53.4° | 60.1° |
| H111 | C11 | C12 | H122 | 173.4° | 60.0° |
| H111 | C11 | C12 | H123 | 66.6° | 180.0° |
| H112 | C11 | C12 | H121 | 66.9° | 60.0° |
| H112 | C11 | C12 | H122 | 53.1° | 180.0° |
| H112 | C11 | C12 | H123 | 173.1° | 60.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| O14 | C13 | C15 | N16 | 24.9° | 180.0° |
| O14 | C13 | C15 | N38 | 155.6° | 0.3° |
| N16 | C15 | N38 | C13 | 179.6° | 179.7° |
| C15 | N16 | O17 | C18 | 0.0° | 0.0° |
| N16 | C15 | N38 | C18 | 0.0° | 0.4° |
| N38 | C15 | N16 | O17 | 0.0° | 0.3° |
| C15 | N38 | C18 | O17 | 0.0° | 0.4° |
| C15 | N38 | C18 | C19 | 179.6° | 179.8° |
| C13 | C15 | N16 | O17 | 179.5° | 180.0° |
| C13 | C15 | N38 | C18 | 179.5° | 179.9° |
| N16 | O17 | C18 | C19 | 179.6° | 180.0° |
| N16 | O17 | C18 | N38 | 0.0° | 0.3° |
| O17 | C18 | C19 | N38 | 179.6° | 179.7° |
| O17 | C18 | C19 | C20 | 62.4° | 90.0° |
| O17 | C18 | C19 | H191 | 55.7° | 30.0° |
| O17 | C18 | C19 | H192 | 177.6° | 150.0° |
| C18 | C19 | C20 | H191 | 118.1° | 120.1° |
| C18 | C19 | C20 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H192 | 118.7° | 120.0° |
| C18 | C19 | C20 | C21 | 64.8° | 90.0° |
| C18 | C19 | C20 | C25 | 115.4° | 90.2° |
| N38 | C18 | C19 | C20 | 118.0° | 90.3° |
| N38 | C18 | C19 | H191 | 123.9° | 149.7° |
| N38 | C18 | C19 | H192 | 2.0° | 29.7° |
| C20 | C19 | H191 | H192 | 118.8° | 120.0° |
| C19 | C20 | C21 | C25 | 179.8° | 179.7° |
| C19 | C20 | C21 | C22 | 179.7° | 180.0° |
| C19 | C20 | C21 | H21 | 0.3° | 0.1° |
| C19 | C20 | C25 | C24 | 179.7° | 179.7° |
| C19 | C20 | C25 | H25 | 0.3° | 0.2° |
| H191 | C19 | C20 | C21 | 53.2° | 30.0° |
| H191 | C19 | C20 | C25 | 126.5° | 149.7° |
| H192 | C19 | C20 | C21 | 175.2° | 150.0° |
| H192 | C19 | C20 | C25 | 4.6° | 29.7° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H22 | 179.8° | 180.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.5° |
| C21 | C20 | C25 | H25 | 179.9° | 180.0° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C25 | C20 | C21 | H21 | 179.9° | 179.8° |
| C20 | C25 | C24 | C23 | 0.2° | 0.5° |
| C20 | C25 | C24 | H25 | 180.0° | 179.5° |
| C20 | C25 | C24 | H24 | 179.8° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | C26 | 180.0° | 180.0° |
| H21 | C21 | C22 | C23 | 179.9° | 179.9° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| C22 | C23 | C24 | C26 | 179.8° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.2° |
| C22 | C23 | C24 | H24 | 179.7° | 180.0° |
| C22 | C23 | C26 | O27 | 0.0° | 0.0° |
| C22 | C23 | C26 | N28 | 179.8° | 180.0° |
| H22 | C22 | C23 | C24 | 179.8° | 180.0° |
| H22 | C22 | C23 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C23 | C24 | C25 | H25 | 179.8° | 180.0° |
| C24 | C23 | C26 | O27 | 179.8° | 180.0° |
| C24 | C23 | C26 | N28 | 0.0° | 0.0° |
| C26 | C23 | C24 | C25 | 180.0° | 179.7° |
| C26 | C23 | C24 | H24 | 0.0° | 0.0° |
| C23 | C26 | O27 | N28 | 179.8° | 180.0° |
| C23 | C26 | N28 | C29 | 179.5° | 180.0° |
| C23 | C26 | N28 | H28 | 0.5° | 0.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.3° |
| O27 | C26 | N28 | C29 | 0.7° | 0.0° |
| O27 | C26 | N28 | H28 | 179.3° | 180.0° |
| C26 | N28 | C29 | H28 | 180.0° | 180.0° |
| C26 | N28 | C29 | C30 | 144.0° | 155.0° |
| C26 | N28 | C29 | C33 | 95.3° | 92.0° |
| C26 | N28 | C29 | H29 | 24.7° | 31.6° |
| N28 | C29 | C30 | C33 | 125.1° | 118.3° |
| N28 | C29 | C30 | H29 | 114.4° | 123.3° |
| N28 | C29 | C33 | H29 | 114.5° | 123.5° |
| N28 | C29 | C30 | C31 | 154.6° | 144.6° |
| N28 | C29 | C30 | H301 | 31.8° | 96.5° |
| N28 | C29 | C30 | H302 | 85.4° | 25.7° |
| N28 | C29 | C33 | C32 | 155.0° | 144.6° |
| N28 | C29 | C33 | H331 | 82.2° | 25.6° |
| N28 | C29 | C33 | H332 | 35.0° | 96.5° |
| H28 | N28 | C29 | C30 | 36.0° | 25.0° |
| H28 | N28 | C29 | C33 | 84.7° | 87.9° |
| H28 | N28 | C29 | H29 | 155.3° | 148.4° |
| C30 | C29 | C33 | H29 | 120.0° | 118.3° |
| C29 | C30 | C31 | H301 | 122.7° | 118.9° |
| C29 | C30 | C31 | H302 | 120.0° | 118.9° |
| C29 | C30 | H301 | H302 | 122.1° | 122.1° |
| C29 | C30 | C31 | C32 | 18.6° | 17.2° |
| C29 | C30 | C31 | C37 | 161.0° | 162.8° |
| C30 | C29 | C33 | C32 | 29.4° | 26.3° |
| C30 | C29 | C33 | H331 | 152.3° | 92.6° |
| C30 | C29 | C33 | H332 | 90.6° | 145.3° |
| C33 | C29 | C30 | C31 | 29.5° | 26.3° |
| C33 | C29 | C30 | H301 | 93.3° | 145.3° |
| C33 | C29 | C30 | H302 | 149.5° | 92.6° |
| C29 | C33 | C32 | C31 | 18.6° | 17.2° |
| C29 | C33 | C32 | H331 | 122.9° | 119.0° |
| C29 | C33 | C32 | H332 | 120.0° | 119.0° |
| C29 | C33 | C32 | C34 | 161.6° | 162.9° |
| C29 | C33 | H331 | H332 | 122.1° | 122.1° |
| H29 | C29 | C30 | C31 | 91.0° | 92.1° |
| H29 | C29 | C30 | H301 | 146.2° | 26.8° |
| H29 | C29 | C30 | H302 | 28.9° | 149.0° |
| H29 | C29 | C33 | C32 | 90.6° | 91.9° |
| H29 | C29 | C33 | H331 | 32.3° | 149.1° |
| H29 | C29 | C33 | H332 | 149.5° | 27.0° |
| C31 | C30 | H301 | H302 | 122.0° | 122.2° |
| C30 | C31 | C32 | C37 | 179.7° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | C34 | 179.9° | 179.9° |
| C30 | C31 | C37 | C36 | 180.0° | 180.0° |
| C30 | C31 | C37 | H37 | 0.0° | 0.0° |
| H301 | C30 | C31 | C32 | 104.1° | 136.1° |
| H301 | C30 | C31 | C37 | 76.3° | 43.9° |
| H302 | C30 | C31 | C32 | 138.7° | 101.7° |
| H302 | C30 | C31 | C37 | 41.0° | 78.3° |
| C31 | C32 | C33 | C34 | 179.8° | 179.9° |
| C31 | C32 | C33 | H331 | 141.5° | 101.8° |
| C31 | C32 | C33 | H332 | 101.4° | 136.1° |
| C31 | C32 | C34 | C35 | 0.4° | 0.1° |
| C31 | C32 | C34 | H34 | 179.6° | 179.9° |
| C32 | C31 | C37 | C36 | 0.4° | 0.1° |
| C32 | C31 | C37 | H37 | 179.6° | 180.0° |
| C37 | C31 | C32 | C33 | 179.7° | 180.0° |
| C37 | C31 | C32 | C34 | 0.5° | 0.1° |
| C31 | C37 | C36 | C35 | 0.3° | 0.1° |
| C31 | C37 | C36 | H37 | 180.0° | 180.0° |
| C31 | C37 | C36 | H36 | 179.7° | 180.0° |
| C32 | C33 | H331 | H332 | 122.2° | 122.1° |
| C33 | C32 | C34 | C35 | 179.9° | 180.0° |
| C33 | C32 | C34 | H34 | 0.1° | 0.1° |
| C34 | C32 | C33 | H331 | 38.8° | 78.2° |
| C34 | C32 | C33 | H332 | 78.4° | 43.9° |
| C32 | C34 | C35 | H34 | 180.0° | 179.8° |
| C32 | C34 | C35 | C36 | 0.3° | 0.1° |
| C32 | C34 | C35 | H35 | 179.8° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.1° |
| C34 | C35 | C36 | H36 | 179.8° | 180.0° |
| H34 | C34 | C35 | C36 | 179.7° | 179.9° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | H37 | 179.7° | 180.0° |
| H35 | C35 | C36 | C37 | 179.8° | 179.9° |
| H35 | C35 | C36 | H36 | 0.2° | 0.0° |
| H36 | C36 | C37 | H37 | 0.3° | 0.0° |
