PRD_001046
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | S8 | sing | 1.81Å | 1.81Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| O35 | S8 | doub | 1.42Å | 1.46Å | |
| S8 | N9 | sing | 1.66Å | 1.68Å | |
| S8 | O34 | doub | 1.42Å | 1.45Å | |
| C10 | N9 | sing | 1.46Å | 1.49Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C17 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O12 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| O12 | C13 | sing | 1.43Å | 1.44Å | |
| C16 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| N19 | C17 | sing | 1.35Å | 1.33Å | |
| C17 | O18 | doub | 1.21Å | 1.22Å | |
| C20 | N19 | sing | 1.47Å | 1.49Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| N23 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C24 | N23 | sing | 1.46Å | 1.47Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C31 | sing | 1.48Å | 1.39Å | |
| N32 | C31 | doub | 1.30Å | 1.32Å | |
| C31 | N33 | sing | 1.38Å | 1.33Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| N33 | HN3A | sing | 0.97Å | 1.00Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.4° | 120.0° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | C7 | 120.6° | 120.0° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C4 | C3 | C2 | 120.1° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C3 | C2 | H2 | 120.2° | 120.0° |
| C1 | C2 | H2 | 120.2° | 120.0° |
| C2 | C1 | C6 | 120.2° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C6 | C1 | H1 | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.3° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C6 | C5 | C7 | 120.0° | 120.0° |
| C5 | C7 | S8 | 104.9° | 109.5° |
| C5 | C7 | H7 | 110.6° | 109.5° |
| C5 | C7 | H7A | 110.6° | 109.4° |
| S8 | C7 | H7 | 110.6° | 109.5° |
| S8 | C7 | H7A | 110.6° | 109.5° |
| C7 | S8 | O35 | 115.0° | 110.5° |
| C7 | S8 | N9 | 98.8° | 104.4° |
| C7 | S8 | O34 | 116.7° | 110.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| O35 | S8 | N9 | 94.0° | 104.3° |
| O35 | S8 | O34 | 126.6° | 121.0° |
| N9 | S8 | O34 | 90.7° | 104.3° |
| S8 | N9 | C10 | 120.3° | 120.0° |
| S8 | N9 | HN9 | 106.7° | 120.0° |
| C10 | N9 | HN9 | 106.7° | 120.0° |
| N9 | C10 | C17 | 111.7° | 109.5° |
| N9 | C10 | C11 | 108.1° | 109.5° |
| N9 | C10 | H10 | 109.9° | 109.5° |
| C17 | C10 | C11 | 108.7° | 109.4° |
| C17 | C10 | H10 | 109.1° | 109.5° |
| C10 | C17 | N19 | 116.0° | 120.0° |
| C10 | C17 | O18 | 119.6° | 119.9° |
| C11 | C10 | H10 | 109.3° | 109.4° |
| C10 | C11 | O12 | 104.8° | 109.5° |
| C10 | C11 | H11 | 110.6° | 109.5° |
| C10 | C11 | H11A | 110.6° | 109.5° |
| O12 | C11 | H11 | 110.6° | 109.5° |
| O12 | C11 | H11A | 110.6° | 109.5° |
| C11 | O12 | C13 | 119.0° | 114.0° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| O12 | C13 | C16 | 110.7° | 109.5° |
| O12 | C13 | C14 | 103.3° | 109.5° |
| O12 | C13 | C15 | 113.3° | 109.5° |
| C16 | C13 | C14 | 107.8° | 109.5° |
| C16 | C13 | C15 | 108.6° | 109.5° |
| C13 | C16 | H16 | 109.5° | 109.5° |
| C13 | C16 | H16A | 109.5° | 109.5° |
| C13 | C16 | H16B | 109.5° | 109.5° |
| C14 | C13 | C15 | 113.0° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.4° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| N19 | C17 | O18 | 124.2° | 120.0° |
| C17 | N19 | C20 | 122.5° | 120.0° |
| C17 | N19 | HN19 | 118.8° | 120.0° |
| C20 | N19 | HN19 | 118.7° | 119.9° |
| N19 | C20 | C21 | 108.6° | 109.5° |
| N19 | C20 | H20 | 109.7° | 109.5° |
| N19 | C20 | H20A | 109.7° | 109.5° |
| C21 | C20 | H20 | 109.7° | 109.5° |
| C21 | C20 | H20A | 109.7° | 109.5° |
| C20 | C21 | N23 | 115.6° | 120.0° |
| C20 | C21 | O22 | 120.5° | 120.0° |
| H20 | C20 | H20A | 109.4° | 109.4° |
| N23 | C21 | O22 | 123.9° | 120.0° |
| C21 | N23 | C24 | 120.4° | 120.0° |
| C21 | N23 | HN23 | 119.8° | 120.0° |
| C24 | N23 | HN23 | 119.8° | 120.0° |
| N23 | C24 | C25 | 110.7° | 109.5° |
| N23 | C24 | H24 | 109.1° | 109.5° |
| N23 | C24 | H24A | 109.2° | 109.4° |
| C25 | C24 | H24 | 109.2° | 109.5° |
| C25 | C24 | H24A | 109.2° | 109.5° |
| C24 | C25 | C26 | 118.0° | 119.9° |
| C24 | C25 | C30 | 122.9° | 119.9° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| C26 | C25 | C30 | 119.1° | 120.2° |
| C25 | C26 | C27 | 120.8° | 120.2° |
| C25 | C26 | H26 | 119.6° | 119.9° |
| C25 | C30 | C29 | 120.5° | 120.1° |
| C25 | C30 | H30 | 119.8° | 119.9° |
| C29 | C30 | H30 | 119.8° | 120.0° |
| C30 | C29 | C28 | 120.2° | 119.8° |
| C30 | C29 | H29 | 119.9° | 120.0° |
| C28 | C29 | H29 | 119.9° | 120.1° |
| C29 | C28 | C27 | 118.8° | 119.8° |
| C29 | C28 | C31 | 122.9° | 120.1° |
| C27 | C26 | H26 | 119.6° | 119.9° |
| C26 | C27 | C28 | 120.6° | 119.8° |
| C26 | C27 | H27 | 119.7° | 120.1° |
| C28 | C27 | H27 | 119.7° | 120.1° |
| C27 | C28 | C31 | 118.2° | 120.1° |
| C28 | C31 | N32 | 119.3° | 120.0° |
| C28 | C31 | N33 | 122.0° | 119.9° |
| N32 | C31 | N33 | 118.7° | 120.0° |
| C31 | N32 | HN32 | 112.0° | 120.0° |
| C31 | N33 | HN33 | 120.0° | 120.0° |
| C31 | N33 | HN3A | 120.0° | 120.0° |
| HN33 | N33 | HN3A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C5 | C4 | C3 | H3 | 179.3° | 180.0° |
| C4 | C5 | C6 | C1 | 0.8° | 0.6° |
| C4 | C5 | C6 | C7 | 178.8° | 179.7° |
| C4 | C5 | C6 | H6 | 179.2° | 179.9° |
| C4 | C5 | C7 | S8 | 107.1° | 90.1° |
| C4 | C5 | C7 | H7 | 133.7° | 30.0° |
| C4 | C5 | C7 | H7A | 12.2° | 150.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C4 | C3 | C2 | H2 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.9° | 0.3° |
| C3 | C4 | C5 | C7 | 179.7° | 180.0° |
| H4 | C4 | C3 | C2 | 179.3° | 180.0° |
| H4 | C4 | C3 | H3 | 0.7° | 0.0° |
| H4 | C4 | C5 | C6 | 179.1° | 179.7° |
| H4 | C4 | C5 | C7 | 0.3° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.3° | 0.3° |
| C3 | C2 | C1 | H1 | 179.7° | 180.0° |
| H3 | C3 | C2 | C1 | 179.6° | 180.0° |
| H3 | C3 | C2 | H2 | 0.4° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.5° | 0.6° |
| C2 | C1 | C6 | H6 | 179.5° | 179.9° |
| H2 | C2 | C1 | C6 | 179.7° | 179.8° |
| H2 | C2 | C1 | H1 | 0.3° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | C6 | C5 | C7 | 179.6° | 179.7° |
| H1 | C1 | C6 | C5 | 179.5° | 179.7° |
| H1 | C1 | C6 | H6 | 0.5° | 0.2° |
| C6 | C5 | C7 | S8 | 71.7° | 90.3° |
| C6 | C5 | C7 | H7 | 47.6° | 149.7° |
| C6 | C5 | C7 | H7A | 169.0° | 29.7° |
| H6 | C6 | C5 | C7 | 0.4° | 0.3° |
| C5 | C7 | S8 | H7 | 119.3° | 120.0° |
| C5 | C7 | S8 | H7A | 119.3° | 120.0° |
| C5 | C7 | H7 | H7A | 122.1° | 120.0° |
| C5 | C7 | S8 | O35 | 87.2° | 68.4° |
| C5 | C7 | S8 | N9 | 174.2° | 180.0° |
| C5 | C7 | S8 | O34 | 78.8° | 68.4° |
| S8 | C7 | H7 | H7A | 122.1° | 120.0° |
| C7 | S8 | O35 | N9 | 101.7° | 111.7° |
| C7 | S8 | O35 | O34 | 164.4° | 131.5° |
| C7 | S8 | N9 | O34 | 117.2° | 116.1° |
| C7 | S8 | N9 | C10 | 77.2° | 65.0° |
| C7 | S8 | N9 | HN9 | 44.3° | 115.1° |
| H7 | C7 | S8 | O35 | 32.1° | 51.6° |
| H7 | C7 | S8 | N9 | 66.6° | 60.0° |
| H7 | C7 | S8 | O34 | 161.9° | 171.6° |
| H7A | C7 | S8 | O35 | 153.5° | 171.6° |
| H7A | C7 | S8 | N9 | 54.9° | 60.0° |
| H7A | C7 | S8 | O34 | 40.4° | 51.6° |
| O35 | S8 | N9 | O34 | 126.7° | 127.9° |
| O35 | S8 | N9 | C10 | 38.8° | 51.0° |
| O35 | S8 | N9 | HN9 | 160.3° | 128.9° |
| S8 | N9 | C10 | HN9 | 121.5° | 179.9° |
| S8 | N9 | C10 | C17 | 84.9° | 145.0° |
| S8 | N9 | C10 | C11 | 155.6° | 95.0° |
| S8 | N9 | C10 | H10 | 36.4° | 24.9° |
| O34 | S8 | N9 | C10 | 165.6° | 178.9° |
| O34 | S8 | N9 | HN9 | 72.9° | 1.0° |
| N9 | C10 | C17 | C11 | 119.2° | 120.0° |
| N9 | C10 | C17 | H10 | 121.7° | 120.1° |
| N9 | C10 | C11 | H10 | 119.6° | 120.0° |
| N9 | C10 | C11 | O12 | 174.0° | 65.0° |
| N9 | C10 | C11 | H11 | 66.7° | 55.0° |
| N9 | C10 | C11 | H11A | 54.8° | 175.0° |
| N9 | C10 | C17 | N19 | 143.0° | 180.0° |
| N9 | C10 | C17 | O18 | 31.4° | 0.0° |
| HN9 | N9 | C10 | C17 | 36.6° | 34.9° |
| HN9 | N9 | C10 | C11 | 82.9° | 85.0° |
| HN9 | N9 | C10 | H10 | 157.9° | 155.0° |
| C17 | C10 | C11 | H10 | 119.0° | 120.0° |
| C17 | C10 | C11 | O12 | 64.6° | 55.0° |
| C17 | C10 | C11 | H11 | 54.6° | 175.1° |
| C17 | C10 | C11 | H11A | 176.1° | 65.0° |
| C10 | C17 | N19 | O18 | 174.1° | 180.0° |
| C10 | C17 | N19 | C20 | 179.0° | 180.0° |
| C10 | C17 | N19 | HN19 | 1.0° | 0.0° |
| C10 | C11 | O12 | H11 | 119.3° | 120.0° |
| C10 | C11 | O12 | H11A | 119.3° | 120.0° |
| C10 | C11 | H11 | H11A | 122.2° | 120.0° |
| C10 | C11 | O12 | C13 | 157.8° | 180.0° |
| C11 | C10 | C17 | N19 | 97.8° | 60.0° |
| C11 | C10 | C17 | O18 | 87.8° | 120.0° |
| H10 | C10 | C11 | O12 | 54.4° | 175.0° |
| H10 | C10 | C11 | H11 | 173.6° | 65.0° |
| H10 | C10 | C11 | H11A | 64.9° | 55.0° |
| H10 | C10 | C17 | N19 | 21.3° | 60.0° |
| H10 | C10 | C17 | O18 | 153.1° | 120.0° |
| O12 | C11 | H11 | H11A | 122.1° | 120.0° |
| C11 | O12 | C13 | C16 | 86.1° | 180.0° |
| C11 | O12 | C13 | C14 | 158.8° | 60.0° |
| C11 | O12 | C13 | C15 | 36.2° | 60.0° |
| H11 | C11 | O12 | C13 | 38.5° | 60.0° |
| H11A | C11 | O12 | C13 | 83.0° | 60.0° |
| O12 | C13 | C16 | C14 | 112.3° | 120.0° |
| O12 | C13 | C16 | C15 | 125.0° | 120.0° |
| O12 | C13 | C14 | C15 | 122.8° | 120.0° |
| O12 | C13 | C15 | H15 | 180.0° | 60.0° |
| O12 | C13 | C15 | H15A | 60.0° | 180.0° |
| O12 | C13 | C15 | H15B | 60.0° | 60.0° |
| O12 | C13 | C16 | H16 | 180.0° | 60.0° |
| O12 | C13 | C16 | H16A | 60.0° | 180.0° |
| O12 | C13 | C16 | H16B | 60.0° | 60.0° |
| O12 | C13 | C14 | H14 | 180.0° | 60.1° |
| O12 | C13 | C14 | H14A | 60.0° | 180.0° |
| O12 | C13 | C14 | H14B | 60.0° | 60.0° |
| C16 | C13 | C14 | C15 | 120.0° | 120.0° |
| C16 | C13 | C15 | H15 | 56.6° | 60.0° |
| C16 | C13 | C15 | H15A | 63.4° | 60.0° |
| C16 | C13 | C15 | H15B | 176.6° | 180.0° |
| C13 | C16 | H16 | H16A | 120.0° | 120.0° |
| C13 | C16 | H16 | H16B | 120.0° | 120.0° |
| C13 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C13 | C14 | H14 | 62.8° | 180.0° |
| C16 | C13 | C14 | H14A | 177.2° | 60.0° |
| C16 | C13 | C14 | H14B | 57.2° | 60.0° |
| C14 | C13 | C15 | H15 | 63.0° | 180.0° |
| C14 | C13 | C15 | H15A | 177.0° | 60.0° |
| C14 | C13 | C15 | H15B | 57.0° | 60.0° |
| C14 | C13 | C16 | H16 | 67.7° | 60.0° |
| C14 | C13 | C16 | H16A | 52.3° | 60.1° |
| C14 | C13 | C16 | H16B | 172.3° | 179.9° |
| C13 | C14 | H14 | H14A | 120.0° | 119.9° |
| C13 | C14 | H14 | H14B | 120.0° | 120.1° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15B | 120.0° | 120.0° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C13 | C16 | H16 | 55.0° | 180.0° |
| C15 | C13 | C16 | H16A | 175.0° | 60.0° |
| C15 | C13 | C16 | H16B | 65.0° | 60.0° |
| C15 | C13 | C14 | H14 | 57.3° | 60.0° |
| C15 | C13 | C14 | H14A | 62.8° | 60.0° |
| C15 | C13 | C14 | H14B | 177.2° | 180.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H14 | C14 | H14A | H14B | 119.9° | 120.0° |
| C17 | N19 | C20 | HN19 | 180.0° | 180.0° |
| C17 | N19 | C20 | C21 | 63.5° | 180.0° |
| C17 | N19 | C20 | H20 | 56.4° | 60.0° |
| C17 | N19 | C20 | H20A | 176.7° | 60.0° |
| O18 | C17 | N19 | C20 | 4.9° | 0.0° |
| O18 | C17 | N19 | HN19 | 175.1° | 180.0° |
| N19 | C20 | C21 | H20 | 119.9° | 120.0° |
| N19 | C20 | C21 | H20A | 119.9° | 120.0° |
| N19 | C20 | H20 | H20A | 120.4° | 120.0° |
| N19 | C20 | C21 | N23 | 138.0° | 180.0° |
| N19 | C20 | C21 | O22 | 40.1° | 0.0° |
| HN19 | N19 | C20 | C21 | 116.5° | 0.0° |
| HN19 | N19 | C20 | H20 | 123.6° | 120.0° |
| HN19 | N19 | C20 | H20A | 3.3° | 120.1° |
| C21 | C20 | H20 | H20A | 120.4° | 120.0° |
| C20 | C21 | N23 | O22 | 178.0° | 180.0° |
| C20 | C21 | N23 | C24 | 178.3° | 180.0° |
| C20 | C21 | N23 | HN23 | 1.7° | 0.0° |
| H20 | C20 | C21 | N23 | 18.1° | 60.0° |
| H20 | C20 | C21 | O22 | 159.9° | 120.0° |
| H20A | C20 | C21 | N23 | 102.1° | 60.0° |
| H20A | C20 | C21 | O22 | 79.8° | 120.0° |
| C21 | N23 | C24 | HN23 | 180.0° | 180.0° |
| C21 | N23 | C24 | C25 | 99.5° | 180.0° |
| C21 | N23 | C24 | H24 | 140.3° | 59.9° |
| C21 | N23 | C24 | H24A | 20.7° | 60.0° |
| O22 | C21 | N23 | C24 | 0.3° | 0.0° |
| O22 | C21 | N23 | HN23 | 179.7° | 180.0° |
| N23 | C24 | C25 | H24 | 120.2° | 120.0° |
| N23 | C24 | C25 | H24A | 120.2° | 119.9° |
| N23 | C24 | H24 | H24A | 119.4° | 120.0° |
| N23 | C24 | C25 | C26 | 126.5° | 90.3° |
| N23 | C24 | C25 | C30 | 54.3° | 90.1° |
| HN23 | N23 | C24 | C25 | 80.5° | 0.0° |
| HN23 | N23 | C24 | H24 | 39.7° | 120.0° |
| HN23 | N23 | C24 | H24A | 159.3° | 120.0° |
| C25 | C24 | H24 | H24A | 119.4° | 120.0° |
| C24 | C25 | C26 | C30 | 179.1° | 179.7° |
| C24 | C25 | C30 | C29 | 179.6° | 180.0° |
| C24 | C25 | C30 | H30 | 0.4° | 0.0° |
| C24 | C25 | C26 | C27 | 179.5° | 179.7° |
| C24 | C25 | C26 | H26 | 0.4° | 0.1° |
| H24 | C24 | C25 | C26 | 6.4° | 149.7° |
| H24 | C24 | C25 | C30 | 174.5° | 30.0° |
| H24A | C24 | C25 | C26 | 113.3° | 29.7° |
| H24A | C24 | C25 | C30 | 65.9° | 150.0° |
| C26 | C25 | C30 | C29 | 0.5° | 0.3° |
| C26 | C25 | C30 | H30 | 179.5° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.4° | 0.6° |
| C25 | C26 | C27 | H27 | 179.6° | 179.7° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.6° | 0.1° |
| C25 | C30 | C29 | H29 | 179.4° | 179.9° |
| C30 | C25 | C26 | C27 | 0.4° | 0.6° |
| C30 | C25 | C26 | H26 | 179.6° | 179.7° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.6° | 0.0° |
| C30 | C29 | C28 | C31 | 179.1° | 180.0° |
| H30 | C30 | C29 | C28 | 179.4° | 180.0° |
| H30 | C30 | C29 | H29 | 0.6° | 0.0° |
| C29 | C28 | C27 | C26 | 0.5° | 0.3° |
| C29 | C28 | C27 | C31 | 178.5° | 180.0° |
| C29 | C28 | C27 | H27 | 179.5° | 180.0° |
| C29 | C28 | C31 | N32 | 145.9° | 0.1° |
| C29 | C28 | C31 | N33 | 30.8° | 180.0° |
| H29 | C29 | C28 | C27 | 179.4° | 180.0° |
| H29 | C29 | C28 | C31 | 0.9° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C31 | 179.0° | 179.7° |
| H26 | C26 | C27 | C28 | 179.6° | 179.8° |
| H26 | C26 | C27 | H27 | 0.4° | 0.0° |
| C27 | C28 | C31 | N32 | 32.6° | 180.0° |
| C27 | C28 | C31 | N33 | 150.8° | 0.0° |
| H27 | C27 | C28 | C31 | 1.0° | 0.0° |
| C28 | C31 | N32 | N33 | 176.7° | 179.9° |
| C28 | C31 | N33 | HN33 | 176.7° | 0.1° |
| C28 | C31 | N33 | HN3A | 3.3° | 180.0° |
| C28 | C31 | N32 | HN32 | 176.8° | 180.0° |
| N32 | C31 | N33 | HN33 | 0.0° | 180.0° |
| N32 | C31 | N33 | HN3A | 180.0° | 0.0° |
| C31 | N33 | HN33 | HN3A | 180.0° | 180.0° |
| N33 | C31 | N32 | HN32 | 0.0° | 0.1° |
