997
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N5 | sing | 1.47Å | 1.48Å | |
| C2 | C6 | sing | 1.53Å | 1.56Å | |
| C2 | H43 | sing | 1.09Å | 1.09Å | |
| C3 | C7 | sing | 1.51Å | 1.50Å | |
| C3 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H35 | sing | 1.08Å | 1.08Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | HS1 | sing | 1.09Å | 1.10Å | |
| C6 | HS2 | sing | 1.09Å | 1.09Å | |
| C7 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | HW1 | sing | 1.09Å | 1.10Å | |
| C7 | HW2 | sing | 1.09Å | 1.09Å | |
| C8 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H36 | sing | 1.08Å | 1.08Å | |
| C9 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| C10 | C13 | sing | 1.51Å | 1.51Å | |
| C10 | O14 | doub | 1.21Å | 1.23Å | |
| C11 | HV1 | sing | 1.09Å | 1.10Å | |
| C11 | HV2 | sing | 1.09Å | 1.09Å | |
| C12 | H33 | sing | 1.08Å | 1.08Å | |
| C13 | N15 | sing | 1.47Å | 1.49Å | |
| C13 | C16 | sing | 1.54Å | 1.54Å | |
| C13 | HPA | sing | 1.09Å | 1.09Å | |
| N15 | C17 | sing | 1.35Å | 1.35Å | |
| N15 | C18 | sing | 1.47Å | 1.46Å | |
| C16 | C19 | sing | 1.55Å | 1.52Å | |
| C16 | HP1 | sing | 1.09Å | 1.11Å | |
| C16 | HP2 | sing | 1.09Å | 1.09Å | |
| C17 | C20 | sing | 1.51Å | 1.52Å | |
| C17 | O21 | doub | 1.21Å | 1.24Å | |
| C18 | C19 | sing | 1.55Å | 1.52Å | |
| C18 | HR1 | sing | 1.09Å | 1.10Å | |
| C18 | HR2 | sing | 1.09Å | 1.09Å | |
| C19 | OQ2 | sing | 1.43Å | 1.44Å | |
| C19 | HQ1 | sing | 1.09Å | 1.11Å | |
| C20 | N22 | sing | 1.47Å | 1.48Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| C20 | HTA | sing | 1.09Å | 1.09Å | |
| N22 | C24 | sing | 1.35Å | 1.34Å | |
| N22 | HN22 | sing | 0.97Å | 1.01Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C27 | sing | 1.53Å | 1.53Å | |
| C24 | C28 | sing | 1.51Å | 1.51Å | |
| C24 | O29 | doub | 1.21Å | 1.23Å | |
| C25 | HT11 | sing | 1.09Å | 1.08Å | |
| C25 | HT12 | sing | 1.09Å | 1.09Å | |
| C25 | HT13 | sing | 1.09Å | 1.09Å | |
| C26 | HT21 | sing | 1.09Å | 1.08Å | |
| C26 | HT22 | sing | 1.09Å | 1.09Å | |
| C26 | HT23 | sing | 1.09Å | 1.09Å | |
| C27 | HT31 | sing | 1.09Å | 1.08Å | |
| C27 | HT32 | sing | 1.09Å | 1.10Å | |
| C27 | HT33 | sing | 1.09Å | 1.09Å | |
| C28 | N30 | sing | 1.47Å | 1.46Å | |
| C28 | C31 | sing | 1.53Å | 1.52Å | |
| C28 | HAA | sing | 1.09Å | 1.09Å | |
| N30 | CNM | sing | 1.47Å | 1.46Å | |
| N30 | H30 | sing | 1.01Å | 1.03Å | |
| C31 | HB1 | sing | 1.09Å | 1.09Å | |
| C31 | HB2 | sing | 1.09Å | 1.10Å | |
| C31 | HB3 | sing | 1.09Å | 1.09Å | |
| CNM | HM1 | sing | 1.09Å | 1.08Å | |
| CNM | HM2 | sing | 1.09Å | 1.09Å | |
| CNM | HM3 | sing | 1.09Å | 1.09Å | |
| OQ2 | C | sing | 1.36Å | 1.44Å | |
| C | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | HD1 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | HE1 | sing | 1.08Å | 1.08Å | |
| C15 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | HZ | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | HE2 | sing | 1.08Å | 1.08Å | |
| C22 | HD2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 122.7° | 122.6° |
| C2 | C1 | C4 | 117.9° | 117.7° |
| C1 | C2 | N5 | 109.0° | 109.3° |
| C1 | C2 | C6 | 112.5° | 110.5° |
| C1 | C2 | H43 | 110.9° | 109.3° |
| C3 | C1 | C4 | 119.5° | 119.7° |
| C1 | C3 | C7 | 122.2° | 122.5° |
| C1 | C3 | C8 | 120.1° | 119.7° |
| C1 | C4 | C9 | 120.2° | 120.5° |
| C1 | C4 | H35 | 120.0° | 119.7° |
| N5 | C2 | C6 | 108.5° | 109.2° |
| N5 | C2 | H43 | 104.8° | 109.2° |
| C2 | N5 | C10 | 122.9° | 120.0° |
| C2 | N5 | HN5 | 118.8° | 120.0° |
| C6 | C2 | H43 | 110.9° | 109.3° |
| C2 | C6 | C11 | 113.2° | 108.4° |
| C2 | C6 | HS1 | 106.4° | 109.7° |
| C2 | C6 | HS2 | 110.6° | 109.7° |
| C7 | C3 | C8 | 117.8° | 117.8° |
| C3 | C7 | C11 | 114.3° | 110.6° |
| C3 | C7 | HW1 | 106.3° | 109.2° |
| C3 | C7 | HW2 | 111.0° | 109.3° |
| C3 | C8 | C12 | 120.1° | 120.6° |
| C3 | C8 | H36 | 120.0° | 119.7° |
| C9 | C4 | H35 | 119.8° | 119.8° |
| C4 | C9 | C12 | 120.1° | 119.8° |
| C4 | C9 | H34 | 120.1° | 120.1° |
| C10 | N5 | HN5 | 118.2° | 120.0° |
| N5 | C10 | C13 | 118.5° | 120.0° |
| N5 | C10 | O14 | 120.8° | 120.0° |
| C11 | C6 | HS1 | 106.0° | 109.7° |
| C11 | C6 | HS2 | 110.6° | 109.7° |
| C6 | C11 | C7 | 111.9° | 108.4° |
| C6 | C11 | HV1 | 106.3° | 109.7° |
| C6 | C11 | HV2 | 110.9° | 109.7° |
| HS1 | C6 | HS2 | 109.8° | 109.6° |
| C11 | C7 | HW1 | 106.3° | 109.3° |
| C11 | C7 | HW2 | 111.1° | 109.3° |
| C7 | C11 | HV1 | 106.6° | 109.7° |
| C7 | C11 | HV2 | 111.0° | 109.7° |
| HW1 | C7 | HW2 | 107.4° | 109.2° |
| C12 | C8 | H36 | 119.9° | 119.8° |
| C8 | C12 | C9 | 120.1° | 119.8° |
| C8 | C12 | H33 | 120.0° | 120.1° |
| C12 | C9 | H34 | 119.8° | 120.1° |
| C9 | C12 | H33 | 119.8° | 120.1° |
| C13 | C10 | O14 | 120.6° | 120.0° |
| C10 | C13 | N15 | 111.8° | 110.3° |
| C10 | C13 | C16 | 110.2° | 109.8° |
| C10 | C13 | HPA | 107.3° | 109.9° |
| HV1 | C11 | HV2 | 110.0° | 109.7° |
| N15 | C13 | C16 | 109.1° | 107.3° |
| N15 | C13 | HPA | 109.3° | 109.6° |
| C13 | N15 | C17 | 128.7° | 125.6° |
| C13 | N15 | C18 | 105.9° | 108.7° |
| C16 | C13 | HPA | 109.1° | 109.9° |
| C13 | C16 | C19 | 105.0° | 103.0° |
| C13 | C16 | HP1 | 107.3° | 110.8° |
| C13 | C16 | HP2 | 113.5° | 110.6° |
| C17 | N15 | C18 | 125.4° | 125.7° |
| N15 | C17 | C20 | 119.1° | 120.0° |
| N15 | C17 | O21 | 121.9° | 120.0° |
| N15 | C18 | C19 | 109.7° | 104.8° |
| N15 | C18 | HR1 | 106.7° | 110.3° |
| N15 | C18 | HR2 | 110.8° | 110.3° |
| C19 | C16 | HP1 | 107.2° | 110.7° |
| C19 | C16 | HP2 | 113.3° | 110.7° |
| C16 | C19 | C18 | 104.0° | 101.6° |
| C16 | C19 | OQ2 | 111.5° | 111.0° |
| C16 | C19 | HQ1 | 109.1° | 111.0° |
| HP1 | C16 | HP2 | 110.2° | 110.8° |
| C20 | C17 | O21 | 119.0° | 120.0° |
| C17 | C20 | N22 | 109.1° | 109.5° |
| C17 | C20 | C23 | 111.3° | 109.5° |
| C17 | C20 | HTA | 109.0° | 109.5° |
| C19 | C18 | HR1 | 106.8° | 110.4° |
| C19 | C18 | HR2 | 111.0° | 110.4° |
| C18 | C19 | OQ2 | 111.8° | 111.0° |
| C18 | C19 | HQ1 | 108.8° | 111.0° |
| HR1 | C18 | HR2 | 111.7° | 110.4° |
| OQ2 | C19 | HQ1 | 111.3° | 110.9° |
| C19 | OQ2 | C | 111.0° | 106.8° |
| N22 | C20 | C23 | 109.5° | 109.5° |
| N22 | C20 | HTA | 109.0° | 109.5° |
| C20 | N22 | C24 | 120.3° | 120.0° |
| C20 | N22 | HN22 | 119.9° | 120.0° |
| C23 | C20 | HTA | 108.9° | 109.5° |
| C20 | C23 | C25 | 108.5° | 109.5° |
| C20 | C23 | C26 | 110.4° | 109.5° |
| C20 | C23 | C27 | 110.7° | 109.5° |
| C24 | N22 | HN22 | 119.7° | 120.0° |
| N22 | C24 | C28 | 119.9° | 120.0° |
| N22 | C24 | O29 | 120.3° | 120.0° |
| C25 | C23 | C26 | 108.9° | 109.5° |
| C25 | C23 | C27 | 108.8° | 109.4° |
| C23 | C25 | HT11 | 109.8° | 109.4° |
| C23 | C25 | HT12 | 108.3° | 109.5° |
| C23 | C25 | HT13 | 110.0° | 109.5° |
| C26 | C23 | C27 | 109.4° | 109.5° |
| C23 | C26 | HT21 | 109.7° | 109.4° |
| C23 | C26 | HT22 | 108.4° | 109.4° |
| C23 | C26 | HT23 | 110.1° | 109.5° |
| C23 | C27 | HT31 | 109.8° | 109.4° |
| C23 | C27 | HT32 | 108.4° | 109.5° |
| C23 | C27 | HT33 | 109.9° | 109.5° |
| C28 | C24 | O29 | 119.8° | 120.0° |
| C24 | C28 | N30 | 109.5° | 109.5° |
| C24 | C28 | C31 | 110.1° | 109.4° |
| C24 | C28 | HAA | 109.4° | 109.5° |
| HT11 | C25 | HT12 | 108.5° | 109.5° |
| HT11 | C25 | HT13 | 110.2° | 109.4° |
| HT12 | C25 | HT13 | 110.0° | 109.5° |
| HT21 | C26 | HT22 | 108.3° | 109.5° |
| HT21 | C26 | HT23 | 110.1° | 109.5° |
| HT22 | C26 | HT23 | 110.1° | 109.5° |
| HT31 | C27 | HT32 | 108.5° | 109.5° |
| HT31 | C27 | HT33 | 110.3° | 109.5° |
| HT32 | C27 | HT33 | 109.9° | 109.5° |
| N30 | C28 | C31 | 109.6° | 109.5° |
| N30 | C28 | HAA | 109.1° | 109.5° |
| C28 | N30 | CNM | 109.4° | 106.7° |
| C28 | N30 | H30 | 105.8° | 106.7° |
| C31 | C28 | HAA | 109.1° | 109.5° |
| C28 | C31 | HB1 | 109.8° | 109.5° |
| C28 | C31 | HB2 | 108.5° | 109.5° |
| C28 | C31 | HB3 | 110.0° | 109.4° |
| CNM | N30 | H30 | 105.8° | 106.8° |
| N30 | CNM | HM1 | 109.7° | 109.5° |
| N30 | CNM | HM2 | 108.5° | 109.5° |
| N30 | CNM | HM3 | 110.1° | 109.5° |
| HB1 | C31 | HB2 | 108.4° | 109.5° |
| HB1 | C31 | HB3 | 110.0° | 109.5° |
| HB2 | C31 | HB3 | 110.1° | 109.5° |
| HM1 | CNM | HM2 | 108.5° | 109.4° |
| HM1 | CNM | HM3 | 110.0° | 109.4° |
| HM2 | CNM | HM3 | 110.0° | 109.5° |
| OQ2 | C | C5 | 119.7° | 120.0° |
| OQ2 | C | C22 | 120.6° | 120.1° |
| C5 | C | C22 | 119.8° | 119.9° |
| C | C5 | C14 | 120.1° | 119.9° |
| C | C5 | HD1 | 119.9° | 120.1° |
| C | C22 | C21 | 120.1° | 119.9° |
| C | C22 | HD2 | 120.0° | 120.0° |
| C14 | C5 | HD1 | 120.0° | 120.0° |
| C5 | C14 | C15 | 120.1° | 120.1° |
| C5 | C14 | HE1 | 120.0° | 120.0° |
| C15 | C14 | HE1 | 119.9° | 119.9° |
| C14 | C15 | C21 | 119.9° | 120.0° |
| C14 | C15 | HZ | 120.1° | 120.0° |
| C21 | C15 | HZ | 120.0° | 120.0° |
| C15 | C21 | C22 | 120.0° | 120.1° |
| C15 | C21 | HE2 | 120.1° | 119.9° |
| C22 | C21 | HE2 | 119.9° | 120.0° |
| C21 | C22 | HD2 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 180.0° | 179.6° |
| C1 | C2 | N5 | C6 | 122.8° | 121.0° |
| C1 | C2 | N5 | H43 | 118.7° | 119.5° |
| C1 | C2 | C6 | H43 | 124.8° | 120.3° |
| C2 | C1 | C3 | C7 | 0.1° | 0.6° |
| C2 | C1 | C3 | C8 | 179.9° | 179.5° |
| C2 | C1 | C4 | C9 | 179.9° | 179.7° |
| C2 | C1 | C4 | H35 | 0.2° | 0.4° |
| C1 | C2 | N5 | C10 | 151.5° | 84.5° |
| C1 | C2 | N5 | HN5 | 28.5° | 95.4° |
| C1 | C2 | C6 | C11 | 39.8° | 51.1° |
| C1 | C2 | C6 | HS1 | 76.3° | 68.6° |
| C1 | C2 | C6 | HS2 | 164.5° | 170.9° |
| C3 | C1 | C2 | N5 | 132.1° | 138.0° |
| C3 | C1 | C2 | C6 | 11.7° | 17.7° |
| C3 | C1 | C2 | H43 | 113.1° | 102.6° |
| C1 | C3 | C7 | C8 | 180.0° | 179.9° |
| C3 | C1 | C4 | C9 | 0.1° | 0.0° |
| C3 | C1 | C4 | H35 | 179.9° | 179.9° |
| C1 | C3 | C7 | C11 | 16.1° | 17.6° |
| C1 | C3 | C7 | HW1 | 100.8° | 102.7° |
| C1 | C3 | C7 | HW2 | 142.7° | 137.9° |
| C1 | C3 | C8 | C12 | 0.1° | 0.1° |
| C1 | C3 | C8 | H36 | 180.0° | 179.9° |
| C4 | C1 | C2 | N5 | 47.8° | 42.4° |
| C4 | C1 | C2 | C6 | 168.2° | 162.6° |
| C4 | C1 | C2 | H43 | 67.0° | 77.1° |
| C4 | C1 | C3 | C7 | 179.9° | 179.8° |
| C4 | C1 | C3 | C8 | 0.1° | 0.1° |
| C1 | C4 | C9 | H35 | 180.0° | 179.9° |
| C1 | C4 | C9 | C12 | 0.1° | 0.2° |
| C1 | C4 | C9 | H34 | 179.9° | 179.8° |
| N5 | C2 | C6 | H43 | 114.5° | 119.4° |
| C2 | N5 | C10 | HN5 | 180.0° | 179.9° |
| N5 | C2 | C6 | C11 | 160.4° | 171.4° |
| N5 | C2 | C6 | HS1 | 44.4° | 51.6° |
| N5 | C2 | C6 | HS2 | 74.8° | 68.8° |
| C2 | N5 | C10 | C13 | 180.0° | 180.0° |
| C2 | N5 | C10 | O14 | 0.0° | 0.0° |
| C6 | C2 | N5 | C10 | 85.7° | 154.5° |
| C6 | C2 | N5 | HN5 | 94.3° | 25.6° |
| C2 | C6 | C11 | HS1 | 116.2° | 119.7° |
| C2 | C6 | C11 | HS2 | 124.8° | 119.8° |
| C2 | C6 | HS1 | HS2 | 119.7° | 120.5° |
| C2 | C6 | C11 | C7 | 56.7° | 69.9° |
| C2 | C6 | C11 | HV1 | 59.3° | 170.4° |
| C2 | C6 | C11 | HV2 | 178.9° | 49.9° |
| H43 | C2 | N5 | C10 | 32.8° | 35.0° |
| H43 | C2 | N5 | HN5 | 147.2° | 145.1° |
| H43 | C2 | C6 | C11 | 85.0° | 69.2° |
| H43 | C2 | C6 | HS1 | 158.9° | 171.1° |
| H43 | C2 | C6 | HS2 | 39.7° | 50.6° |
| C3 | C7 | C11 | C6 | 43.8° | 51.0° |
| C3 | C7 | C11 | HW1 | 116.9° | 120.3° |
| C3 | C7 | C11 | HW2 | 126.5° | 120.3° |
| C3 | C7 | HW1 | HW2 | 118.8° | 119.4° |
| C7 | C3 | C8 | C12 | 179.9° | 179.8° |
| C7 | C3 | C8 | H36 | 0.0° | 0.2° |
| C3 | C7 | C11 | HV1 | 72.0° | 170.8° |
| C3 | C7 | C11 | HV2 | 168.2° | 68.7° |
| C8 | C3 | C7 | C11 | 163.9° | 162.5° |
| C8 | C3 | C7 | HW1 | 79.2° | 77.2° |
| C8 | C3 | C7 | HW2 | 37.3° | 42.1° |
| C3 | C8 | C12 | H36 | 179.8° | 180.0° |
| C3 | C8 | C12 | C9 | 0.1° | 0.0° |
| C3 | C8 | C12 | H33 | 179.8° | 180.0° |
| C4 | C9 | C12 | C8 | 0.1° | 0.1° |
| C4 | C9 | C12 | H34 | 180.0° | 179.9° |
| C4 | C9 | C12 | H33 | 179.8° | 179.9° |
| H35 | C4 | C9 | C12 | 179.9° | 179.9° |
| H35 | C4 | C9 | H34 | 0.1° | 0.1° |
| N5 | C10 | C13 | O14 | 180.0° | 180.0° |
| N5 | C10 | C13 | N15 | 159.3° | 179.5° |
| N5 | C10 | C13 | C16 | 79.2° | 61.4° |
| N5 | C10 | C13 | HPA | 39.4° | 59.6° |
| HN5 | N5 | C10 | C13 | 0.1° | 0.1° |
| HN5 | N5 | C10 | O14 | 180.0° | 180.0° |
| C11 | C6 | HS1 | HS2 | 119.5° | 120.5° |
| C6 | C11 | C7 | HV1 | 115.8° | 119.7° |
| C6 | C11 | C7 | HV2 | 124.4° | 119.7° |
| C6 | C11 | C7 | HW1 | 73.1° | 69.2° |
| C6 | C11 | C7 | HW2 | 170.3° | 171.3° |
| C6 | C11 | HV1 | HV2 | 120.1° | 120.5° |
| HS1 | C6 | C11 | C7 | 59.6° | 49.8° |
| HS1 | C6 | C11 | HV1 | 175.6° | 69.9° |
| HS1 | C6 | C11 | HV2 | 64.9° | 169.6° |
| HS2 | C6 | C11 | C7 | 178.5° | 170.3° |
| HS2 | C6 | C11 | HV1 | 65.5° | 50.6° |
| HS2 | C6 | C11 | HV2 | 54.1° | 69.9° |
| C11 | C7 | HW1 | HW2 | 119.1° | 119.5° |
| C7 | C11 | HV1 | HV2 | 120.4° | 120.5° |
| HW1 | C7 | C11 | HV1 | 171.1° | 50.5° |
| HW1 | C7 | C11 | HV2 | 51.3° | 171.0° |
| HW2 | C7 | C11 | HV1 | 54.5° | 68.9° |
| HW2 | C7 | C11 | HV2 | 65.3° | 51.6° |
| C8 | C12 | C9 | H33 | 180.0° | 180.0° |
| C8 | C12 | C9 | H34 | 179.9° | 179.8° |
| H36 | C8 | C12 | C9 | 180.0° | 180.0° |
| H36 | C8 | C12 | H33 | 0.0° | 0.0° |
| H34 | C9 | C12 | H33 | 0.1° | 0.2° |
| C10 | C13 | N15 | C16 | 122.1° | 119.6° |
| C10 | C13 | N15 | HPA | 118.6° | 121.1° |
| C10 | C13 | C16 | HPA | 117.5° | 121.0° |
| C10 | C13 | N15 | C17 | 61.7° | 61.5° |
| C10 | C13 | N15 | C18 | 118.4° | 118.2° |
| C10 | C13 | C16 | C19 | 135.0° | 141.8° |
| C10 | C13 | C16 | HP1 | 21.1° | 99.8° |
| C10 | C13 | C16 | HP2 | 100.8° | 23.4° |
| O14 | C10 | C13 | N15 | 20.8° | 0.5° |
| O14 | C10 | C13 | C16 | 100.8° | 118.5° |
| O14 | C10 | C13 | HPA | 140.6° | 120.4° |
| N15 | C13 | C16 | HPA | 119.3° | 119.1° |
| C13 | N15 | C17 | C18 | 179.8° | 179.7° |
| N15 | C13 | C16 | C19 | 11.8° | 21.9° |
| N15 | C13 | C16 | HP1 | 102.0° | 140.3° |
| N15 | C13 | C16 | HP2 | 136.0° | 96.4° |
| C13 | N15 | C17 | C20 | 178.6° | 174.1° |
| C13 | N15 | C17 | O21 | 0.8° | 6.0° |
| C13 | N15 | C18 | C19 | 18.3° | 24.3° |
| C13 | N15 | C18 | HR1 | 97.0° | 143.2° |
| C13 | N15 | C18 | HR2 | 141.2° | 94.5° |
| C16 | C13 | N15 | C17 | 176.1° | 178.9° |
| C16 | C13 | N15 | C18 | 3.7° | 1.4° |
| C13 | C16 | C19 | HP1 | 113.9° | 118.5° |
| C13 | C16 | C19 | HP2 | 124.3° | 118.2° |
| C13 | C16 | HP1 | HP2 | 123.9° | 123.2° |
| C13 | C16 | C19 | C18 | 21.9° | 35.3° |
| C13 | C16 | C19 | OQ2 | 142.5° | 153.4° |
| C13 | C16 | C19 | HQ1 | 94.1° | 82.7° |
| HPA | C13 | N15 | C17 | 56.9° | 59.6° |
| HPA | C13 | N15 | C18 | 122.9° | 120.7° |
| HPA | C13 | C16 | C19 | 107.5° | 97.2° |
| HPA | C13 | C16 | HP1 | 138.6° | 21.2° |
| HPA | C13 | C16 | HP2 | 16.7° | 144.4° |
| N15 | C17 | C20 | O21 | 179.4° | 180.0° |
| C17 | N15 | C18 | C19 | 161.5° | 155.9° |
| C17 | N15 | C18 | HR1 | 83.2° | 37.1° |
| C17 | N15 | C18 | HR2 | 38.6° | 85.2° |
| N15 | C17 | C20 | N22 | 149.6° | 146.0° |
| N15 | C17 | C20 | C23 | 89.5° | 94.0° |
| N15 | C17 | C20 | HTA | 30.6° | 26.0° |
| N15 | C18 | C19 | C16 | 25.6° | 37.0° |
| C18 | N15 | C17 | C20 | 1.2° | 5.6° |
| C18 | N15 | C17 | O21 | 179.4° | 174.4° |
| N15 | C18 | C19 | HR1 | 115.3° | 118.8° |
| N15 | C18 | C19 | HR2 | 122.8° | 118.8° |
| N15 | C18 | HR1 | HR2 | 121.2° | 122.2° |
| N15 | C18 | C19 | OQ2 | 146.1° | 155.1° |
| N15 | C18 | C19 | HQ1 | 90.6° | 81.0° |
| C19 | C16 | HP1 | HP2 | 123.7° | 123.2° |
| C16 | C19 | C18 | OQ2 | 120.5° | 118.1° |
| C16 | C19 | C18 | HQ1 | 116.2° | 118.0° |
| C16 | C19 | C18 | HR1 | 89.7° | 155.8° |
| C16 | C19 | C18 | HR2 | 148.4° | 81.8° |
| C16 | C19 | OQ2 | HQ1 | 122.1° | 123.8° |
| C16 | C19 | OQ2 | C | 115.7° | 163.4° |
| HP1 | C16 | C19 | C18 | 91.9° | 153.9° |
| HP1 | C16 | C19 | OQ2 | 28.7° | 88.0° |
| HP1 | C16 | C19 | HQ1 | 152.1° | 35.8° |
| HP2 | C16 | C19 | C18 | 146.3° | 82.9° |
| HP2 | C16 | C19 | OQ2 | 93.1° | 35.2° |
| HP2 | C16 | C19 | HQ1 | 30.3° | 159.0° |
| C17 | C20 | N22 | C23 | 122.0° | 120.0° |
| C17 | C20 | N22 | HTA | 119.0° | 120.0° |
| C17 | C20 | C23 | HTA | 120.2° | 120.0° |
| C17 | C20 | N22 | C24 | 111.6° | 155.0° |
| C17 | C20 | N22 | HN22 | 68.5° | 25.0° |
| C17 | C20 | C23 | C25 | 120.8° | 63.7° |
| C17 | C20 | C23 | C26 | 1.5° | 56.3° |
| C17 | C20 | C23 | C27 | 119.9° | 176.3° |
| O21 | C17 | C20 | N22 | 29.8° | 33.9° |
| O21 | C17 | C20 | C23 | 91.2° | 86.1° |
| O21 | C17 | C20 | HTA | 148.7° | 153.9° |
| C19 | C18 | HR1 | HR2 | 121.5° | 122.3° |
| C18 | C19 | OQ2 | HQ1 | 121.9° | 123.9° |
| C18 | C19 | OQ2 | C | 128.4° | 84.4° |
| HR1 | C18 | C19 | OQ2 | 30.7° | 86.1° |
| HR1 | C18 | C19 | HQ1 | 154.1° | 37.8° |
| HR2 | C18 | C19 | OQ2 | 91.2° | 36.3° |
| HR2 | C18 | C19 | HQ1 | 32.2° | 160.2° |
| C19 | OQ2 | C | C5 | 136.6° | 4.9° |
| C19 | OQ2 | C | C22 | 43.9° | 175.3° |
| HQ1 | C19 | OQ2 | C | 6.4° | 39.6° |
| N22 | C20 | C23 | HTA | 119.1° | 120.0° |
| C20 | N22 | C24 | HN22 | 179.9° | 180.0° |
| N22 | C20 | C23 | C25 | 118.5° | 56.3° |
| N22 | C20 | C23 | C26 | 122.2° | 176.3° |
| N22 | C20 | C23 | C27 | 0.8° | 63.7° |
| C20 | N22 | C24 | C28 | 179.2° | 180.0° |
| C20 | N22 | C24 | O29 | 0.7° | 0.0° |
| C23 | C20 | N22 | C24 | 126.4° | 85.0° |
| C23 | C20 | N22 | HN22 | 53.5° | 95.0° |
| C20 | C23 | C25 | C26 | 120.2° | 120.0° |
| C20 | C23 | C25 | C27 | 120.6° | 120.0° |
| C20 | C23 | C26 | C27 | 122.1° | 120.0° |
| C20 | C23 | C25 | HT11 | 38.6° | 60.0° |
| C20 | C23 | C25 | HT12 | 79.7° | 180.0° |
| C20 | C23 | C25 | HT13 | 160.0° | 60.0° |
| C20 | C23 | C26 | HT21 | 63.4° | 62.2° |
| C20 | C23 | C26 | HT22 | 178.5° | 177.9° |
| C20 | C23 | C26 | HT23 | 58.0° | 57.8° |
| C20 | C23 | C27 | HT31 | 167.8° | 60.0° |
| C20 | C23 | C27 | HT32 | 49.4° | 180.0° |
| C20 | C23 | C27 | HT33 | 70.7° | 60.0° |
| HTA | C20 | N22 | C24 | 7.3° | 35.0° |
| HTA | C20 | N22 | HN22 | 172.6° | 145.0° |
| HTA | C20 | C23 | C25 | 0.6° | 176.3° |
| HTA | C20 | C23 | C26 | 118.7° | 63.7° |
| HTA | C20 | C23 | C27 | 119.9° | 56.3° |
| N22 | C24 | C28 | O29 | 179.9° | 180.0° |
| N22 | C24 | C28 | N30 | 156.2° | 180.0° |
| N22 | C24 | C28 | C31 | 83.2° | 60.0° |
| N22 | C24 | C28 | HAA | 36.7° | 60.0° |
| HN22 | N22 | C24 | C28 | 0.6° | 0.0° |
| HN22 | N22 | C24 | O29 | 179.4° | 180.0° |
| C25 | C23 | C26 | C27 | 118.8° | 120.0° |
| C23 | C25 | HT11 | HT12 | 118.2° | 120.0° |
| C23 | C25 | HT11 | HT13 | 121.3° | 120.0° |
| C23 | C25 | HT12 | HT13 | 120.3° | 120.0° |
| C25 | C23 | C26 | HT21 | 55.7° | 177.8° |
| C25 | C23 | C26 | HT22 | 62.4° | 57.9° |
| C25 | C23 | C26 | HT23 | 177.0° | 62.2° |
| C25 | C23 | C27 | HT31 | 73.0° | 60.0° |
| C25 | C23 | C27 | HT32 | 168.6° | 60.0° |
| C25 | C23 | C27 | HT33 | 48.5° | 180.0° |
| C26 | C23 | C25 | HT11 | 158.9° | 60.0° |
| C26 | C23 | C25 | HT12 | 40.5° | 60.0° |
| C26 | C23 | C25 | HT13 | 79.7° | 180.0° |
| C23 | C26 | HT21 | HT22 | 118.2° | 119.9° |
| C23 | C26 | HT21 | HT23 | 121.3° | 120.0° |
| C23 | C26 | HT22 | HT23 | 120.5° | 120.0° |
| C26 | C23 | C27 | HT31 | 45.9° | 180.0° |
| C26 | C23 | C27 | HT32 | 72.5° | 60.0° |
| C26 | C23 | C27 | HT33 | 167.3° | 60.0° |
| C27 | C23 | C25 | HT11 | 81.9° | 180.0° |
| C27 | C23 | C25 | HT12 | 159.7° | 60.0° |
| C27 | C23 | C25 | HT13 | 39.5° | 60.0° |
| C27 | C23 | C26 | HT21 | 174.5° | 57.8° |
| C27 | C23 | C26 | HT22 | 56.4° | 62.1° |
| C27 | C23 | C26 | HT23 | 64.1° | 177.9° |
| C23 | C27 | HT31 | HT32 | 118.3° | 120.0° |
| C23 | C27 | HT31 | HT33 | 121.2° | 120.0° |
| C23 | C27 | HT32 | HT33 | 120.1° | 120.0° |
| C24 | C28 | N30 | C31 | 120.9° | 120.0° |
| C24 | C28 | N30 | HAA | 119.7° | 120.0° |
| C24 | C28 | C31 | HAA | 120.1° | 120.0° |
| C24 | C28 | N30 | CNM | 107.9° | 155.0° |
| C24 | C28 | N30 | H30 | 5.6° | 91.2° |
| C24 | C28 | C31 | HB1 | 82.2° | 60.0° |
| C24 | C28 | C31 | HB2 | 159.5° | 60.0° |
| C24 | C28 | C31 | HB3 | 39.0° | 180.0° |
| O29 | C24 | C28 | N30 | 23.8° | 0.0° |
| O29 | C24 | C28 | C31 | 96.8° | 120.0° |
| O29 | C24 | C28 | HAA | 143.3° | 120.0° |
| HT11 | C25 | HT12 | HT13 | 120.6° | 120.0° |
| HT21 | C26 | HT22 | HT23 | 120.5° | 120.0° |
| HT31 | C27 | HT32 | HT33 | 120.7° | 120.1° |
| N30 | C28 | C31 | HAA | 119.4° | 120.0° |
| C28 | N30 | CNM | H30 | 113.5° | 113.8° |
| N30 | C28 | C31 | HB1 | 38.4° | 60.0° |
| N30 | C28 | C31 | HB2 | 79.9° | 180.0° |
| N30 | C28 | C31 | HB3 | 159.6° | 60.0° |
| C28 | N30 | CNM | HM1 | 56.1° | 60.0° |
| C28 | N30 | CNM | HM2 | 62.3° | 60.0° |
| C28 | N30 | CNM | HM3 | 177.2° | 180.0° |
| C31 | C28 | N30 | CNM | 131.1° | 85.0° |
| C31 | C28 | N30 | H30 | 115.4° | 28.8° |
| C28 | C31 | HB1 | HB2 | 118.4° | 120.0° |
| C28 | C31 | HB1 | HB3 | 121.2° | 120.0° |
| C28 | C31 | HB2 | HB3 | 120.4° | 120.0° |
| HAA | C28 | N30 | CNM | 11.8° | 35.0° |
| HAA | C28 | N30 | H30 | 125.3° | 148.8° |
| HAA | C28 | C31 | HB1 | 157.7° | NaN° |
| HAA | C28 | C31 | HB2 | 39.5° | 60.0° |
| HAA | C28 | C31 | HB3 | 81.0° | 60.0° |
| N30 | CNM | HM1 | HM2 | 118.4° | 120.1° |
| N30 | CNM | HM1 | HM3 | 121.2° | 120.0° |
| N30 | CNM | HM2 | HM3 | 120.5° | 120.0° |
| H30 | N30 | CNM | HM1 | 169.6° | 53.8° |
| H30 | N30 | CNM | HM2 | 51.2° | 173.8° |
| H30 | N30 | CNM | HM3 | 69.3° | 66.2° |
| HB1 | C31 | HB2 | HB3 | 120.4° | 120.0° |
| HM1 | CNM | HM2 | HM3 | 120.3° | 119.9° |
| OQ2 | C | C5 | C22 | 179.5° | 179.8° |
| OQ2 | C | C5 | C14 | 179.6° | 180.0° |
| OQ2 | C | C5 | HD1 | 0.4° | 0.0° |
| OQ2 | C | C22 | C21 | 179.7° | 179.7° |
| OQ2 | C | C22 | HD2 | 0.4° | 0.3° |
| C | C5 | C14 | HD1 | 180.0° | 180.0° |
| C | C5 | C14 | C15 | 0.1° | 0.0° |
| C | C5 | C14 | HE1 | 180.0° | 180.0° |
| C5 | C | C22 | C21 | 0.2° | 0.6° |
| C5 | C | C22 | HD2 | 179.9° | 179.9° |
| C22 | C | C5 | C14 | 0.2° | 0.3° |
| C22 | C | C5 | HD1 | 179.8° | 179.8° |
| C | C22 | C21 | C15 | 0.2° | 0.6° |
| C | C22 | C21 | HD2 | 179.9° | 179.3° |
| C | C22 | C21 | HE2 | 179.8° | 179.7° |
| C5 | C14 | C15 | HE1 | 179.9° | 180.0° |
| C5 | C14 | C15 | C21 | 0.0° | 0.0° |
| C5 | C14 | C15 | HZ | 179.9° | 180.0° |
| HD1 | C5 | C14 | C15 | 179.9° | 179.9° |
| HD1 | C5 | C14 | HE1 | 0.0° | 0.0° |
| C14 | C15 | C21 | HZ | 179.9° | 179.9° |
| C14 | C15 | C21 | C22 | 0.1° | 0.3° |
| C14 | C15 | C21 | HE2 | 179.9° | 180.0° |
| HE1 | C14 | C15 | C21 | 180.0° | 180.0° |
| HE1 | C14 | C15 | HZ | 0.1° | 0.1° |
| C15 | C21 | C22 | HE2 | 180.0° | 179.8° |
| C15 | C21 | C22 | HD2 | 179.9° | 179.9° |
| HZ | C15 | C21 | C22 | 180.0° | 179.7° |
| HZ | C15 | C21 | HE2 | 0.0° | 0.1° |
| HE2 | C21 | C22 | HD2 | 0.1° | 0.3° |
