5IN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | C35 | sing | 1.51Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| O2 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31A | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | N5 | sing | 1.47Å | 1.45Å | |
| C4 | C22 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| N5 | C6 | sing | 1.35Å | 1.40Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | O21 | doub | 1.21Å | 1.22Å | |
| C7 | N8 | sing | 1.46Å | 1.44Å | |
| C7 | C19 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| N8 | S9 | sing | 1.66Å | 1.65Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| S9 | C10 | sing | 1.81Å | 1.80Å | |
| S9 | O17 | doub | 1.42Å | 1.44Å | |
| S9 | O18 | doub | 1.42Å | 1.48Å | |
| C10 | C11 | sing | 1.51Å | 1.58Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C22 | O23 | doub | 1.21Å | 1.21Å | |
| C22 | N24 | sing | 1.35Å | 1.38Å | |
| N24 | C25 | sing | 1.46Å | 1.44Å | |
| N24 | H24 | sing | 0.97Å | 1.02Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.44Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.39Å | 1.44Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.39Å | 1.44Å | Aromatic |
| C29 | C32 | sing | 1.48Å | 1.42Å | |
| C30 | C31 | doub | 1.38Å | 1.44Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | N33 | doub | 1.30Å | 1.35Å | |
| C32 | N34 | sing | 1.38Å | 1.35Å | |
| N33 | H33 | sing | 0.97Å | 1.02Å | |
| N34 | H341 | sing | 0.97Å | 1.02Å | |
| N34 | H342 | sing | 0.97Å | 1.02Å | |
| C35 | C36 | doub | 1.38Å | 1.43Å | Aromatic |
| C35 | C40 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | doub | 1.38Å | 1.43Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.38Å | 1.43Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.43Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C35 | 109.3° | 109.5° |
| O2 | C1 | H11 | 112.3° | 109.4° |
| O2 | C1 | H12A | 112.3° | 109.5° |
| C1 | O2 | C3 | 108.5° | 106.8° |
| C35 | C1 | H11 | 112.3° | 109.5° |
| C35 | C1 | H12A | 112.3° | 109.5° |
| C1 | C35 | C36 | 119.9° | 120.0° |
| C1 | C35 | C40 | 120.1° | 120.0° |
| H11 | C1 | H12A | 98.2° | 109.4° |
| O2 | C3 | C4 | 111.0° | 109.4° |
| O2 | C3 | H31A | 111.6° | 109.4° |
| O2 | C3 | H32 | 111.6° | 109.5° |
| C4 | C3 | H31A | 111.6° | 109.5° |
| C4 | C3 | H32 | 111.6° | 109.5° |
| C3 | C4 | N5 | 108.0° | 109.5° |
| C3 | C4 | C22 | 106.6° | 109.5° |
| C3 | C4 | H4 | 113.9° | 109.4° |
| H31A | C3 | H32 | 98.8° | 109.5° |
| N5 | C4 | C22 | 114.0° | 109.5° |
| N5 | C4 | H4 | 106.6° | 109.5° |
| C4 | N5 | C6 | 121.2° | 120.0° |
| C4 | N5 | HN5 | 121.1° | 120.0° |
| C22 | C4 | H4 | 107.9° | 109.4° |
| C4 | C22 | O23 | 119.9° | 120.0° |
| C4 | C22 | N24 | 114.7° | 120.0° |
| C6 | N5 | HN5 | 117.7° | 120.0° |
| N5 | C6 | C7 | 116.9° | 120.0° |
| N5 | C6 | O21 | 122.4° | 120.0° |
| C7 | C6 | O21 | 120.7° | 119.9° |
| C6 | C7 | N8 | 115.1° | 109.5° |
| C6 | C7 | C19 | 114.2° | 109.5° |
| C6 | C7 | H7 | 100.3° | 109.4° |
| N8 | C7 | C19 | 103.6° | 109.5° |
| N8 | C7 | H7 | 111.5° | 109.5° |
| C7 | N8 | S9 | 130.3° | 120.0° |
| C7 | N8 | HN8 | 105.0° | 120.0° |
| C19 | C7 | H7 | 112.5° | 109.5° |
| C7 | C19 | O20 | 107.7° | 109.5° |
| C7 | C19 | H191 | 112.9° | 109.5° |
| C7 | C19 | H192 | 112.9° | 109.5° |
| S9 | N8 | HN8 | 105.0° | 120.0° |
| N8 | S9 | C10 | 108.2° | 103.2° |
| N8 | S9 | O17 | 105.3° | 102.8° |
| N8 | S9 | O18 | 102.0° | 102.8° |
| C10 | S9 | O17 | 109.2° | 111.6° |
| C10 | S9 | O18 | 116.2° | 111.6° |
| S9 | C10 | C11 | 108.7° | 109.5° |
| S9 | C10 | H101 | 112.5° | 109.5° |
| S9 | C10 | H102 | 112.5° | 109.4° |
| O17 | S9 | O18 | 114.9° | 122.1° |
| C11 | C10 | H101 | 112.5° | 109.5° |
| C11 | C10 | H102 | 112.5° | 109.5° |
| C10 | C11 | C12 | 114.8° | 120.0° |
| C10 | C11 | C16 | 125.3° | 120.0° |
| H101 | C10 | H102 | 97.9° | 109.5° |
| C12 | C11 | C16 | 119.9° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C11 | C16 | C15 | 119.8° | 119.9° |
| C11 | C16 | H16 | 120.2° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.1° | 120.0° |
| C12 | C13 | H13 | 120.9° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| C13 | C14 | H14 | 119.4° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | H16 | 120.0° | 120.1° |
| O20 | C19 | H191 | 112.8° | 109.5° |
| O20 | C19 | H192 | 112.9° | 109.4° |
| C19 | O20 | H20 | 107.7° | 106.8° |
| H191 | C19 | H192 | 97.6° | 109.5° |
| O23 | C22 | N24 | 125.4° | 120.0° |
| C22 | N24 | C25 | 120.8° | 120.0° |
| C22 | N24 | H24 | 117.6° | 120.0° |
| C25 | N24 | H24 | 121.6° | 120.1° |
| N24 | C25 | C26 | 115.0° | 109.4° |
| N24 | C25 | H251 | 110.2° | 109.5° |
| N24 | C25 | H252 | 110.2° | 109.5° |
| C26 | C25 | H251 | 110.2° | 109.5° |
| C26 | C25 | H252 | 110.2° | 109.4° |
| C25 | C26 | C27 | 118.8° | 119.9° |
| C25 | C26 | C31 | 123.4° | 119.8° |
| H251 | C25 | H252 | 100.1° | 109.5° |
| C27 | C26 | C31 | 117.8° | 120.3° |
| C26 | C27 | C28 | 120.9° | 120.1° |
| C26 | C27 | H27 | 119.8° | 119.9° |
| C26 | C31 | C30 | 122.1° | 120.1° |
| C26 | C31 | H31 | 119.2° | 120.0° |
| C28 | C27 | H27 | 119.3° | 119.9° |
| C27 | C28 | C29 | 121.8° | 119.8° |
| C27 | C28 | H28 | 118.1° | 120.1° |
| C29 | C28 | H28 | 120.1° | 120.1° |
| C28 | C29 | C30 | 118.5° | 119.7° |
| C28 | C29 | C32 | 118.4° | 120.1° |
| C30 | C29 | C32 | 123.1° | 120.1° |
| C29 | C30 | C31 | 118.9° | 119.9° |
| C29 | C30 | H30 | 120.6° | 120.1° |
| C29 | C32 | N33 | 120.4° | 120.0° |
| C29 | C32 | N34 | 125.6° | 120.0° |
| C31 | C30 | H30 | 120.5° | 120.0° |
| C30 | C31 | H31 | 118.8° | 119.9° |
| N33 | C32 | N34 | 113.9° | 120.0° |
| C32 | N33 | H33 | 113.9° | 120.0° |
| C32 | N34 | H341 | 106.5° | 120.0° |
| C32 | N34 | H342 | 125.7° | 120.1° |
| H341 | N34 | H342 | 106.5° | 119.9° |
| C36 | C35 | C40 | 120.0° | 120.0° |
| C35 | C36 | C37 | 119.8° | 120.0° |
| C35 | C36 | H36 | 120.1° | 120.0° |
| C35 | C40 | C39 | 119.9° | 120.0° |
| C35 | C40 | H40 | 120.3° | 120.0° |
| C37 | C36 | H36 | 120.1° | 120.0° |
| C36 | C37 | C38 | 120.1° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.0° |
| C38 | C37 | H37 | 120.0° | 120.0° |
| C37 | C38 | C39 | 120.1° | 120.0° |
| C37 | C38 | H38 | 120.0° | 120.0° |
| C39 | C38 | H38 | 119.9° | 120.0° |
| C38 | C39 | C40 | 120.1° | 120.0° |
| C38 | C39 | H39 | 120.0° | 120.0° |
| C40 | C39 | H39 | 119.9° | 120.0° |
| C39 | C40 | H40 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C35 | H11 | 125.3° | 120.0° |
| O2 | C1 | C35 | H12A | 125.2° | 120.0° |
| O2 | C1 | H11 | H12A | 118.2° | 120.0° |
| C1 | O2 | C3 | C4 | 155.4° | 180.0° |
| C1 | O2 | C3 | H31A | 30.1° | 60.1° |
| C1 | O2 | C3 | H32 | 79.4° | 59.9° |
| O2 | C1 | C35 | C36 | 97.2° | 90.0° |
| O2 | C1 | C35 | C40 | 82.8° | 90.3° |
| C35 | C1 | H11 | H12A | 118.2° | 120.0° |
| C35 | C1 | O2 | C3 | 159.6° | 180.0° |
| C1 | C35 | C36 | C40 | 180.0° | 179.7° |
| C1 | C35 | C36 | C37 | 180.0° | 180.0° |
| C1 | C35 | C36 | H36 | 0.0° | 0.1° |
| C1 | C35 | C40 | C39 | 180.0° | 179.8° |
| C1 | C35 | C40 | H40 | 0.0° | 0.3° |
| H11 | C1 | O2 | C3 | 34.3° | 60.0° |
| H11 | C1 | C35 | C36 | 28.1° | 30.0° |
| H11 | C1 | C35 | C40 | 152.0° | 149.7° |
| H12A | C1 | O2 | C3 | 75.2° | 59.9° |
| H12A | C1 | C35 | C36 | 137.5° | 149.9° |
| H12A | C1 | C35 | C40 | 42.5° | 29.7° |
| O2 | C3 | C4 | H31A | 125.2° | 119.9° |
| O2 | C3 | C4 | H32 | 125.2° | 120.0° |
| O2 | C3 | H31A | H32 | 117.5° | 120.0° |
| O2 | C3 | C4 | N5 | 56.9° | 65.0° |
| O2 | C3 | C4 | C22 | 179.8° | 55.0° |
| O2 | C3 | C4 | H4 | 61.3° | 174.9° |
| C4 | C3 | H31A | H32 | 117.5° | 120.1° |
| C3 | C4 | N5 | C22 | 118.3° | 120.0° |
| C3 | C4 | N5 | H4 | 122.8° | 120.0° |
| C3 | C4 | C22 | H4 | 122.8° | 120.0° |
| C3 | C4 | N5 | C6 | 179.6° | 85.0° |
| C3 | C4 | N5 | HN5 | 0.4° | 95.0° |
| C3 | C4 | C22 | O23 | 75.1° | 120.0° |
| C3 | C4 | C22 | N24 | 104.5° | 60.0° |
| H31A | C3 | C4 | N5 | 68.3° | 175.1° |
| H31A | C3 | C4 | C22 | 54.6° | 64.9° |
| H31A | C3 | C4 | H4 | 173.5° | 55.1° |
| H32 | C3 | C4 | N5 | 177.8° | 55.0° |
| H32 | C3 | C4 | C22 | 54.9° | 175.0° |
| H32 | C3 | C4 | H4 | 64.0° | 65.0° |
| N5 | C4 | C22 | H4 | 118.2° | 120.0° |
| C4 | N5 | C6 | HN5 | 180.0° | 180.0° |
| C4 | N5 | C6 | C7 | 179.7° | 180.0° |
| C4 | N5 | C6 | O21 | 0.0° | 0.0° |
| N5 | C4 | C22 | O23 | 43.9° | 0.0° |
| N5 | C4 | C22 | N24 | 136.5° | 180.0° |
| C22 | C4 | N5 | C6 | 62.1° | 155.0° |
| C22 | C4 | N5 | HN5 | 117.9° | 25.0° |
| C4 | C22 | O23 | N24 | 179.6° | 180.0° |
| C4 | C22 | N24 | C25 | 179.2° | 180.0° |
| C4 | C22 | N24 | H24 | 0.8° | 0.1° |
| H4 | C4 | N5 | C6 | 56.8° | 35.0° |
| H4 | C4 | N5 | HN5 | 123.2° | 145.0° |
| H4 | C4 | C22 | O23 | 162.1° | 120.0° |
| H4 | C4 | C22 | N24 | 18.3° | 60.0° |
| N5 | C6 | C7 | O21 | 179.7° | 180.0° |
| N5 | C6 | C7 | N8 | 124.0° | 180.0° |
| N5 | C6 | C7 | C19 | 116.3° | 60.0° |
| N5 | C6 | C7 | H7 | 4.2° | 60.0° |
| HN5 | N5 | C6 | C7 | 0.3° | 0.0° |
| HN5 | N5 | C6 | O21 | 180.0° | 180.0° |
| C6 | C7 | N8 | C19 | 125.4° | 120.0° |
| C6 | C7 | N8 | H7 | 113.4° | 120.0° |
| C6 | C7 | C19 | H7 | 113.5° | 119.9° |
| C6 | C7 | N8 | S9 | 69.3° | 145.0° |
| C6 | C7 | N8 | HN8 | 56.0° | 35.0° |
| C6 | C7 | C19 | O20 | 57.7° | 55.0° |
| C6 | C7 | C19 | H191 | 177.0° | 175.0° |
| C6 | C7 | C19 | H192 | 67.6° | 65.0° |
| O21 | C6 | C7 | N8 | 55.7° | 0.0° |
| O21 | C6 | C7 | C19 | 64.0° | 120.0° |
| O21 | C6 | C7 | H7 | 175.5° | 120.0° |
| N8 | C7 | C19 | H7 | 120.5° | 120.0° |
| C7 | N8 | S9 | HN8 | 125.2° | 180.0° |
| C7 | N8 | S9 | C10 | 58.3° | 65.0° |
| C7 | N8 | S9 | O17 | 58.4° | 178.8° |
| C7 | N8 | S9 | O18 | 178.7° | 51.1° |
| N8 | C7 | C19 | O20 | 176.3° | 65.0° |
| N8 | C7 | C19 | H191 | 51.1° | 55.0° |
| N8 | C7 | C19 | H192 | 58.4° | 175.0° |
| C19 | C7 | N8 | S9 | 165.4° | 95.0° |
| C19 | C7 | N8 | HN8 | 69.4° | 85.0° |
| C7 | C19 | O20 | H191 | 125.3° | 120.0° |
| C7 | C19 | O20 | H192 | 125.3° | 120.0° |
| C7 | C19 | H191 | H192 | 118.8° | 120.0° |
| C7 | C19 | O20 | H20 | 180.0° | 180.0° |
| H7 | C7 | N8 | S9 | 44.2° | 25.0° |
| H7 | C7 | N8 | HN8 | 169.4° | 155.0° |
| H7 | C7 | C19 | O20 | 55.8° | 174.9° |
| H7 | C7 | C19 | H191 | 69.5° | 65.0° |
| H7 | C7 | C19 | H192 | 178.9° | 55.0° |
| N8 | S9 | C10 | O17 | 114.1° | 109.7° |
| N8 | S9 | C10 | O18 | 114.0° | 109.7° |
| N8 | S9 | O17 | O18 | 111.4° | 114.3° |
| N8 | S9 | C10 | C11 | 179.8° | 180.0° |
| N8 | S9 | C10 | H101 | 54.5° | 60.0° |
| N8 | S9 | C10 | H102 | 54.9° | 60.0° |
| HN8 | N8 | S9 | C10 | 67.0° | 115.0° |
| HN8 | N8 | S9 | O17 | 176.4° | 1.2° |
| HN8 | N8 | S9 | O18 | 56.0° | 128.8° |
| C10 | S9 | O17 | O18 | 132.6° | 135.8° |
| S9 | C10 | C11 | H101 | 125.3° | 120.0° |
| S9 | C10 | C11 | H102 | 125.2° | 119.9° |
| S9 | C10 | H101 | H102 | 118.4° | 120.0° |
| S9 | C10 | C11 | C12 | 94.7° | 90.0° |
| S9 | C10 | C11 | C16 | 85.8° | 90.3° |
| O17 | S9 | C10 | C11 | 65.7° | 70.3° |
| O17 | S9 | C10 | H101 | 59.5° | 169.7° |
| O17 | S9 | C10 | H102 | 169.0° | 49.7° |
| O18 | S9 | C10 | C11 | 66.2° | 70.3° |
| O18 | S9 | C10 | H101 | 168.5° | 49.7° |
| O18 | S9 | C10 | H102 | 59.0° | 169.7° |
| C11 | C10 | H101 | H102 | 118.4° | 120.0° |
| C10 | C11 | C12 | C16 | 179.5° | 179.7° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | C12 | H12 | 0.5° | 0.1° |
| C10 | C11 | C16 | C15 | 179.4° | 179.8° |
| C10 | C11 | C16 | H16 | 0.6° | 0.3° |
| H101 | C10 | C11 | C12 | 30.6° | 30.0° |
| H101 | C10 | C11 | C16 | 148.9° | 149.7° |
| H102 | C10 | C11 | C12 | 140.0° | 150.0° |
| H102 | C10 | C11 | C16 | 39.4° | 29.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.5° |
| C12 | C11 | C16 | H16 | 180.0° | 179.9° |
| C16 | C11 | C12 | C13 | 0.0° | 0.3° |
| C16 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.0° | 0.4° |
| C11 | C16 | C15 | H16 | 180.0° | 179.6° |
| C11 | C16 | C15 | H15 | 179.9° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| H13 | C13 | C14 | C15 | 179.8° | 180.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 179.8° |
| H14 | C14 | C15 | H15 | 0.2° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.2° |
| O20 | C19 | H191 | H192 | 118.8° | 120.0° |
| H191 | C19 | O20 | H20 | 54.7° | 60.0° |
| H192 | C19 | O20 | H20 | 54.7° | 60.0° |
| O23 | C22 | N24 | C25 | 0.4° | 0.1° |
| O23 | C22 | N24 | H24 | 179.6° | 179.9° |
| C22 | N24 | C25 | H24 | 180.0° | 179.9° |
| C22 | N24 | C25 | C26 | 90.8° | 180.0° |
| C22 | N24 | C25 | H251 | 34.5° | 60.0° |
| C22 | N24 | C25 | H252 | 144.0° | 60.0° |
| N24 | C25 | C26 | H251 | 125.2° | 120.0° |
| N24 | C25 | C26 | H252 | 125.2° | 120.0° |
| N24 | C25 | H251 | H252 | 116.0° | 120.1° |
| N24 | C25 | C26 | C27 | 108.8° | 90.0° |
| N24 | C25 | C26 | C31 | 71.7° | 90.0° |
| H24 | N24 | C25 | C26 | 89.3° | 0.1° |
| H24 | N24 | C25 | H251 | 145.5° | 120.1° |
| H24 | N24 | C25 | H252 | 36.0° | 119.9° |
| C26 | C25 | H251 | H252 | 116.1° | 120.0° |
| C25 | C26 | C27 | C31 | 179.6° | 180.0° |
| C25 | C26 | C27 | C28 | 179.5° | 180.0° |
| C25 | C26 | C27 | H27 | 0.5° | 0.0° |
| C25 | C26 | C31 | C30 | 179.6° | 179.7° |
| C25 | C26 | C31 | H31 | 0.4° | 0.1° |
| H251 | C25 | C26 | C27 | 126.0° | 150.0° |
| H251 | C25 | C26 | C31 | 53.6° | 30.0° |
| H252 | C25 | C26 | C27 | 16.5° | 30.0° |
| H252 | C25 | C26 | C31 | 163.1° | 150.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C26 | C31 | C30 | 0.1° | 0.3° |
| C27 | C26 | C31 | H31 | 179.9° | 180.0° |
| C31 | C26 | C27 | C28 | 0.1° | 0.0° |
| C31 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C31 | C30 | C29 | 0.1° | 0.6° |
| C26 | C31 | C30 | H31 | 180.0° | 179.6° |
| C26 | C31 | C30 | H30 | 179.9° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | C32 | 179.4° | 180.0° |
| H27 | C27 | C28 | C29 | 179.8° | 180.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
| C28 | C29 | C30 | C32 | 179.3° | 179.7° |
| C28 | C29 | C30 | C31 | 0.0° | 0.6° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C28 | C29 | C32 | N33 | 0.8° | 0.0° |
| C28 | C29 | C32 | N34 | 179.5° | 180.0° |
| H28 | C28 | C29 | C30 | 179.9° | 179.7° |
| H28 | C28 | C29 | C32 | 0.6° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.4° |
| C29 | C30 | C31 | H31 | 179.9° | 179.7° |
| C30 | C29 | C32 | N33 | 178.5° | 179.7° |
| C30 | C29 | C32 | N34 | 1.2° | 0.3° |
| C32 | C29 | C30 | C31 | 179.3° | 179.7° |
| C32 | C29 | C30 | H30 | 0.7° | 0.2° |
| C29 | C32 | N33 | N34 | 179.7° | 180.0° |
| C29 | C32 | N33 | H33 | 45.4° | 0.0° |
| C29 | C32 | N34 | H341 | 54.7° | 179.9° |
| C29 | C32 | N34 | H342 | 180.0° | 0.3° |
| H30 | C30 | C31 | H31 | 0.1° | 0.3° |
| N33 | C32 | N34 | H341 | 125.6° | 0.0° |
| N33 | C32 | N34 | H342 | 0.3° | 179.8° |
| N34 | C32 | N33 | H33 | 134.2° | 180.0° |
| C32 | N34 | H341 | H342 | 136.2° | 179.8° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C35 | C36 | C37 | H37 | 180.0° | 179.9° |
| C36 | C35 | C40 | C39 | 0.0° | 0.5° |
| C36 | C35 | C40 | H40 | 180.0° | 179.9° |
| C40 | C35 | C36 | C37 | 0.0° | 0.3° |
| C40 | C35 | C36 | H36 | 180.0° | 179.7° |
| C35 | C40 | C39 | C38 | 0.0° | 0.4° |
| C35 | C40 | C39 | H40 | 180.0° | 179.6° |
| C35 | C40 | C39 | H39 | 180.0° | 179.7° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| C36 | C37 | C38 | H38 | 180.0° | 179.9° |
| H36 | C36 | C37 | C38 | 180.0° | 180.0° |
| H36 | C36 | C37 | H37 | 0.0° | 0.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.2° |
| C37 | C38 | C39 | H39 | 180.0° | 180.0° |
| H37 | C37 | C38 | C39 | 180.0° | 180.0° |
| H37 | C37 | C38 | H38 | 0.0° | 0.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
| C38 | C39 | C40 | H40 | 180.0° | 180.0° |
| H38 | C38 | C39 | C40 | 179.9° | 179.8° |
| H38 | C38 | C39 | H39 | 0.1° | 0.0° |
| H39 | C39 | C40 | H40 | 0.0° | 0.2° |
