998
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 | 1.41Å | Aromatic |
| C4 | H35 | sing | 1.08Å | 1.08Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | H44 | 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 | 1.53Å | |
| C7 | HW1 | sing | 1.09Å | 1.10Å | |
| C7 | HW2 | sing | 1.09Å | 1.09Å | |
| C8 | C12 | doub | 1.38Å | 1.41Å | 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 | 1.53Å | |
| 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 | HQ1 | sing | 1.09Å | 1.11Å | |
| C19 | HQ2 | sing | 1.09Å | 1.09Å | |
| 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 | H53 | 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 | 1.09Å | |
| C27 | HT33 | sing | 1.09Å | 1.09Å | |
| C28 | N30 | sing | 1.47Å | 1.47Å | |
| C28 | C31 | sing | 1.53Å | 1.52Å | |
| C28 | HAA | sing | 1.09Å | 1.09Å | |
| N30 | CNM | sing | 1.47Å | 1.46Å | |
| N30 | H67 | sing | 1.01Å | 1.02Å | |
| C31 | HB1 | sing | 1.09Å | 1.09Å | |
| C31 | HB2 | sing | 1.09Å | 1.09Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 122.5° | 122.6° |
| C2 | C1 | C4 | 117.9° | 117.7° |
| C1 | C2 | N5 | 109.2° | 109.3° |
| C1 | C2 | C6 | 112.5° | 110.6° |
| C1 | C2 | H43 | 110.6° | 109.3° |
| C3 | C1 | C4 | 119.6° | 119.7° |
| C1 | C3 | C7 | 122.2° | 122.6° |
| C1 | C3 | C8 | 120.0° | 119.7° |
| C1 | C4 | C9 | 120.1° | 120.5° |
| C1 | C4 | H35 | 120.0° | 119.7° |
| N5 | C2 | C6 | 109.1° | 109.3° |
| N5 | C2 | H43 | 104.5° | 109.2° |
| C2 | N5 | C10 | 122.8° | 120.0° |
| C2 | N5 | H44 | 118.9° | 120.0° |
| C6 | C2 | H43 | 110.5° | 109.2° |
| C2 | C6 | C11 | 112.7° | 108.4° |
| C2 | C6 | HS1 | 107.0° | 109.6° |
| C2 | C6 | HS2 | 110.5° | 109.7° |
| C7 | C3 | C8 | 117.8° | 117.7° |
| C3 | C7 | C11 | 114.4° | 110.6° |
| C3 | C7 | HW1 | 106.7° | 109.3° |
| C3 | C7 | HW2 | 110.6° | 109.2° |
| C3 | C8 | C12 | 120.2° | 120.5° |
| C3 | C8 | H36 | 119.9° | 119.7° |
| C9 | C4 | H35 | 119.9° | 119.7° |
| C4 | C9 | C12 | 120.1° | 119.8° |
| C4 | C9 | H34 | 120.0° | 120.2° |
| C10 | N5 | H44 | 118.4° | 120.1° |
| N5 | C10 | C13 | 118.7° | 120.0° |
| N5 | C10 | O14 | 120.8° | 120.0° |
| C11 | C6 | HS1 | 106.6° | 109.7° |
| C11 | C6 | HS2 | 110.3° | 109.7° |
| C6 | C11 | C7 | 111.7° | 108.4° |
| C6 | C11 | HV1 | 106.8° | 109.7° |
| C6 | C11 | HV2 | 110.5° | 109.7° |
| HS1 | C6 | HS2 | 109.6° | 109.7° |
| C11 | C7 | HW1 | 106.8° | 109.2° |
| C11 | C7 | HW2 | 110.8° | 109.2° |
| C7 | C11 | HV1 | 107.3° | 109.7° |
| C7 | C11 | HV2 | 110.6° | 109.7° |
| HW1 | C7 | HW2 | 107.1° | 109.2° |
| C12 | C8 | H36 | 119.9° | 119.8° |
| C8 | C12 | C9 | 120.0° | 119.8° |
| C8 | C12 | H33 | 119.9° | 120.1° |
| C12 | C9 | H34 | 119.9° | 120.1° |
| C9 | C12 | H33 | 120.0° | 120.1° |
| C13 | C10 | O14 | 120.5° | 120.0° |
| C10 | C13 | N15 | 111.7° | 110.3° |
| C10 | C13 | C16 | 110.2° | 109.9° |
| C10 | C13 | HPA | 107.3° | 109.9° |
| HV1 | C11 | HV2 | 109.7° | 109.7° |
| N15 | C13 | C16 | 109.0° | 107.3° |
| N15 | C13 | HPA | 109.3° | 109.6° |
| C13 | N15 | C17 | 129.2° | 125.6° |
| C13 | N15 | C18 | 105.8° | 108.7° |
| C16 | C13 | HPA | 109.2° | 109.9° |
| C13 | C16 | C19 | 104.4° | 103.0° |
| C13 | C16 | HP1 | 108.1° | 110.9° |
| C13 | C16 | HP2 | 113.1° | 110.6° |
| C17 | N15 | C18 | 125.0° | 125.6° |
| N15 | C17 | C20 | 118.6° | 120.0° |
| N15 | C17 | O21 | 122.2° | 120.0° |
| N15 | C18 | C19 | 109.3° | 104.8° |
| N15 | C18 | HR1 | 107.3° | 110.4° |
| N15 | C18 | HR2 | 110.6° | 110.3° |
| C19 | C16 | HP1 | 108.1° | 110.7° |
| C19 | C16 | HP2 | 112.9° | 110.7° |
| C16 | C19 | C18 | 103.8° | 101.6° |
| C16 | C19 | HQ1 | 108.2° | 111.0° |
| C16 | C19 | HQ2 | 113.2° | 111.0° |
| HP1 | C16 | HP2 | 109.8° | 110.8° |
| C20 | C17 | O21 | 119.1° | 120.0° |
| C17 | C20 | N22 | 109.4° | 109.5° |
| C17 | C20 | C23 | 111.1° | 109.4° |
| C17 | C20 | HTA | 108.9° | 109.5° |
| C19 | C18 | HR1 | 107.3° | 110.4° |
| C19 | C18 | HR2 | 110.8° | 110.3° |
| C18 | C19 | HQ1 | 108.2° | 111.0° |
| C18 | C19 | HQ2 | 113.2° | 111.0° |
| HR1 | C18 | HR2 | 111.5° | 110.4° |
| HQ1 | C19 | HQ2 | 110.0° | 110.9° |
| N22 | C20 | C23 | 109.7° | 109.4° |
| N22 | C20 | HTA | 108.9° | 109.5° |
| C20 | N22 | C24 | 120.3° | 120.0° |
| C20 | N22 | H53 | 119.9° | 120.0° |
| C23 | C20 | HTA | 108.8° | 109.5° |
| C20 | C23 | C25 | 108.6° | 109.5° |
| C20 | C23 | C26 | 110.2° | 109.5° |
| C20 | C23 | C27 | 110.5° | 109.4° |
| C24 | N22 | H53 | 119.8° | 120.0° |
| N22 | C24 | C28 | 119.9° | 120.0° |
| N22 | C24 | O29 | 120.3° | 120.0° |
| C25 | C23 | C26 | 109.0° | 109.5° |
| C25 | C23 | C27 | 108.9° | 109.5° |
| C23 | C25 | HT11 | 109.8° | 109.5° |
| C23 | C25 | HT12 | 108.6° | 109.5° |
| C23 | C25 | HT13 | 109.9° | 109.5° |
| C26 | C23 | C27 | 109.5° | 109.5° |
| C23 | C26 | HT21 | 109.7° | 109.5° |
| C23 | C26 | HT22 | 108.6° | 109.5° |
| C23 | C26 | HT23 | 110.0° | 109.4° |
| C23 | C27 | HT31 | 109.8° | 109.5° |
| C23 | C27 | HT32 | 108.6° | 109.4° |
| C23 | C27 | HT33 | 109.8° | 109.5° |
| C28 | C24 | O29 | 119.8° | 120.0° |
| C24 | C28 | N30 | 109.6° | 109.4° |
| C24 | C28 | C31 | 110.0° | 109.5° |
| C24 | C28 | HAA | 109.3° | 109.5° |
| HT11 | C25 | HT12 | 108.7° | 109.5° |
| HT11 | C25 | HT13 | 110.0° | 109.5° |
| HT12 | C25 | HT13 | 109.9° | 109.5° |
| HT21 | C26 | HT22 | 108.5° | 109.5° |
| HT21 | C26 | HT23 | 110.0° | 109.4° |
| HT22 | C26 | HT23 | 110.0° | 109.5° |
| HT31 | C27 | HT32 | 108.7° | 109.4° |
| HT31 | C27 | HT33 | 110.1° | 109.5° |
| HT32 | C27 | HT33 | 109.8° | 109.5° |
| N30 | C28 | C31 | 109.5° | 109.5° |
| N30 | C28 | HAA | 109.2° | 109.5° |
| C28 | N30 | CNM | 109.5° | 106.7° |
| C28 | N30 | H67 | 106.3° | 106.7° |
| C31 | C28 | HAA | 109.2° | 109.5° |
| C28 | C31 | HB1 | 109.7° | 109.5° |
| C28 | C31 | HB2 | 108.6° | 109.5° |
| C28 | C31 | HB3 | 109.9° | 109.5° |
| CNM | N30 | H67 | 106.3° | 106.7° |
| N30 | CNM | HM1 | 109.6° | 109.4° |
| N30 | CNM | HM2 | 108.7° | 109.4° |
| N30 | CNM | HM3 | 110.0° | 109.5° |
| HB1 | C31 | HB2 | 108.5° | 109.4° |
| HB1 | C31 | HB3 | 110.0° | 109.5° |
| HB2 | C31 | HB3 | 110.0° | 109.4° |
| HM1 | CNM | HM2 | 108.7° | 109.5° |
| HM1 | CNM | HM3 | 109.9° | 109.5° |
| HM2 | CNM | HM3 | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 179.9° | 179.8° |
| C1 | C2 | N5 | C6 | 123.4° | 121.1° |
| C1 | C2 | N5 | H43 | 118.4° | 119.5° |
| C1 | C2 | C6 | H43 | 124.2° | 120.3° |
| C2 | C1 | C3 | C7 | 0.4° | 0.5° |
| C2 | C1 | C3 | C8 | 179.7° | 179.6° |
| C2 | C1 | C4 | C9 | 179.7° | 179.7° |
| C2 | C1 | C4 | H35 | 0.3° | 0.4° |
| C1 | C2 | N5 | C10 | 165.3° | 84.5° |
| C1 | C2 | N5 | H44 | 15.8° | 95.6° |
| C1 | C2 | C6 | C11 | 41.7° | 51.1° |
| C1 | C2 | C6 | HS1 | 75.1° | 68.7° |
| C1 | C2 | C6 | HS2 | 165.7° | 170.8° |
| C3 | C1 | C2 | N5 | 134.6° | 137.9° |
| C3 | C1 | C2 | C6 | 13.3° | 17.6° |
| C3 | C1 | C2 | H43 | 110.9° | 102.6° |
| C1 | C3 | C7 | C8 | 179.8° | 179.9° |
| C3 | C1 | C4 | C9 | 0.2° | 0.0° |
| C3 | C1 | C4 | H35 | 179.8° | 179.9° |
| C1 | C3 | C7 | C11 | 14.5° | 17.6° |
| C1 | C3 | C7 | HW1 | 103.4° | 102.7° |
| C1 | C3 | C7 | HW2 | 140.5° | 137.9° |
| C1 | C3 | C8 | C12 | 0.2° | 0.2° |
| C1 | C3 | C8 | H36 | 180.0° | 179.8° |
| C4 | C1 | C2 | N5 | 45.3° | 42.3° |
| C4 | C1 | C2 | C6 | 166.7° | 162.6° |
| C4 | C1 | C2 | H43 | 69.2° | 77.2° |
| C4 | C1 | C3 | C7 | 179.6° | 179.7° |
| C4 | C1 | C3 | C8 | 0.2° | 0.2° |
| C1 | C4 | C9 | H35 | 180.0° | 179.9° |
| C1 | C4 | C9 | C12 | 0.1° | 0.1° |
| C1 | C4 | C9 | H34 | 179.9° | 179.9° |
| N5 | C2 | C6 | H43 | 114.4° | 119.4° |
| C2 | N5 | C10 | H44 | 178.9° | 180.0° |
| N5 | C2 | C6 | C11 | 163.1° | 171.4° |
| N5 | C2 | C6 | HS1 | 46.3° | 51.7° |
| N5 | C2 | C6 | HS2 | 72.9° | 68.9° |
| C2 | N5 | C10 | C13 | 176.1° | 180.0° |
| C2 | N5 | C10 | O14 | 3.0° | 0.0° |
| C6 | C2 | N5 | C10 | 71.3° | 154.4° |
| C6 | C2 | N5 | H44 | 107.6° | 25.5° |
| C2 | C6 | C11 | HS1 | 117.1° | 119.7° |
| C2 | C6 | C11 | HS2 | 124.0° | 119.7° |
| C2 | C6 | HS1 | HS2 | 119.8° | 120.5° |
| C2 | C6 | C11 | C7 | 57.4° | 69.9° |
| C2 | C6 | C11 | HV1 | 59.6° | 170.4° |
| C2 | C6 | C11 | HV2 | 178.9° | 49.9° |
| H43 | C2 | N5 | C10 | 46.9° | 35.0° |
| H43 | C2 | N5 | H44 | 134.2° | 145.0° |
| H43 | C2 | C6 | C11 | 82.5° | 69.2° |
| H43 | C2 | C6 | HS1 | 160.7° | 171.1° |
| H43 | C2 | C6 | HS2 | 41.4° | 50.5° |
| C3 | C7 | C11 | C6 | 42.8° | 51.1° |
| C3 | C7 | C11 | HW1 | 117.8° | 120.3° |
| C3 | C7 | C11 | HW2 | 125.8° | 120.2° |
| C3 | C7 | HW1 | HW2 | 118.5° | 119.4° |
| C7 | C3 | C8 | C12 | 179.7° | 179.7° |
| C7 | C3 | C8 | H36 | 0.2° | 0.3° |
| C3 | C7 | C11 | HV1 | 73.9° | 170.8° |
| C3 | C7 | C11 | HV2 | 166.4° | 68.6° |
| C8 | C3 | C7 | C11 | 165.3° | 162.5° |
| C8 | C3 | C7 | HW1 | 76.8° | 77.3° |
| C8 | C3 | C7 | HW2 | 39.4° | 42.2° |
| C3 | C8 | C12 | H36 | 179.9° | 180.0° |
| C3 | C8 | C12 | C9 | 0.1° | 0.0° |
| C3 | C8 | C12 | H33 | 179.8° | 179.9° |
| C4 | C9 | C12 | C8 | 0.1° | 0.1° |
| C4 | C9 | C12 | H34 | 179.9° | 180.0° |
| C4 | C9 | C12 | H33 | 179.9° | 179.9° |
| H35 | C4 | C9 | C12 | 179.9° | 180.0° |
| H35 | C4 | C9 | H34 | 0.1° | 0.1° |
| N5 | C10 | C13 | O14 | 179.1° | 180.0° |
| N5 | C10 | C13 | N15 | 141.8° | 179.5° |
| N5 | C10 | C13 | C16 | 96.8° | 61.4° |
| N5 | C10 | C13 | HPA | 22.0° | 59.6° |
| H44 | N5 | C10 | C13 | 2.8° | 0.0° |
| H44 | N5 | C10 | O14 | 178.1° | 180.0° |
| C11 | C6 | HS1 | HS2 | 119.4° | 120.6° |
| C6 | C11 | C7 | HV1 | 116.8° | 119.8° |
| C6 | C11 | C7 | HV2 | 123.6° | 119.7° |
| C6 | C11 | C7 | HW1 | 75.0° | 69.2° |
| C6 | C11 | C7 | HW2 | 168.6° | 171.3° |
| C6 | C11 | HV1 | HV2 | 119.8° | 120.5° |
| HS1 | C6 | C11 | C7 | 59.7° | 49.8° |
| HS1 | C6 | C11 | HV1 | 176.7° | 69.9° |
| HS1 | C6 | C11 | HV2 | 64.0° | 169.5° |
| HS2 | C6 | C11 | C7 | 178.6° | 170.4° |
| HS2 | C6 | C11 | HV1 | 64.4° | 50.6° |
| HS2 | C6 | C11 | HV2 | 54.9° | 69.9° |
| C11 | C7 | HW1 | HW2 | 118.8° | 119.4° |
| C7 | C11 | HV1 | HV2 | 120.2° | 120.6° |
| HW1 | C7 | C11 | HV1 | 168.2° | 50.5° |
| HW1 | C7 | C11 | HV2 | 48.6° | 171.1° |
| HW2 | C7 | C11 | HV1 | 51.9° | 68.9° |
| HW2 | C7 | C11 | HV2 | 67.8° | 51.6° |
| C8 | C12 | C9 | H33 | 180.0° | 180.0° |
| C8 | C12 | C9 | H34 | 180.0° | 179.9° |
| H36 | C8 | C12 | C9 | 180.0° | 180.0° |
| H36 | C8 | C12 | H33 | 0.0° | 0.1° |
| H34 | C9 | C12 | H33 | 0.1° | 0.1° |
| C10 | C13 | N15 | C16 | 122.1° | 119.7° |
| C10 | C13 | N15 | HPA | 118.7° | 121.1° |
| C10 | C13 | C16 | HPA | 117.7° | 121.0° |
| C10 | C13 | N15 | C17 | 61.9° | 61.5° |
| C10 | C13 | N15 | C18 | 118.7° | 118.3° |
| C10 | C13 | C16 | C19 | 136.7° | 141.8° |
| C10 | C13 | C16 | HP1 | 21.7° | 99.8° |
| C10 | C13 | C16 | HP2 | 100.1° | 23.5° |
| O14 | C10 | C13 | N15 | 39.1° | 0.5° |
| O14 | C10 | C13 | C16 | 82.3° | 118.5° |
| O14 | C10 | C13 | HPA | 158.9° | 120.4° |
| N15 | C13 | C16 | HPA | 119.4° | 119.1° |
| C13 | N15 | C17 | C18 | 179.3° | 179.7° |
| N15 | C13 | C16 | C19 | 13.7° | 21.9° |
| N15 | C13 | C16 | HP1 | 101.2° | 140.3° |
| N15 | C13 | C16 | HP2 | 136.9° | 96.4° |
| C13 | N15 | C17 | C20 | 177.1° | 174.5° |
| C13 | N15 | C17 | O21 | 1.6° | 5.6° |
| C13 | N15 | C18 | C19 | 19.8° | 24.3° |
| C13 | N15 | C18 | HR1 | 96.2° | 143.2° |
| C13 | N15 | C18 | HR2 | 142.0° | 94.5° |
| C16 | C13 | N15 | C17 | 176.0° | 178.9° |
| C16 | C13 | N15 | C18 | 3.4° | 1.4° |
| C13 | C16 | C19 | HP1 | 115.0° | 118.6° |
| C13 | C16 | C19 | HP2 | 123.3° | 118.2° |
| C13 | C16 | HP1 | HP2 | 123.8° | 123.1° |
| C13 | C16 | C19 | C18 | 24.6° | 35.3° |
| C13 | C16 | C19 | HQ1 | 90.2° | 82.8° |
| C13 | C16 | C19 | HQ2 | 147.7° | 153.4° |
| HPA | C13 | N15 | C17 | 56.8° | 59.6° |
| HPA | C13 | N15 | C18 | 122.7° | 120.7° |
| HPA | C13 | C16 | C19 | 105.7° | 97.2° |
| HPA | C13 | C16 | HP1 | 139.4° | 21.2° |
| HPA | C13 | C16 | HP2 | 17.5° | 144.5° |
| N15 | C17 | C20 | O21 | 178.8° | 179.9° |
| C17 | N15 | C18 | C19 | 159.7° | 155.9° |
| C17 | N15 | C18 | HR1 | 84.3° | 37.0° |
| C17 | N15 | C18 | HR2 | 37.5° | 85.3° |
| N15 | C17 | C20 | N22 | 145.8° | 147.3° |
| N15 | C17 | C20 | C23 | 92.9° | 92.8° |
| N15 | C17 | C20 | HTA | 26.9° | 27.2° |
| N15 | C18 | C19 | C16 | 28.3° | 37.0° |
| C18 | N15 | C17 | C20 | 2.2° | 5.2° |
| C18 | N15 | C17 | O21 | 179.0° | 174.7° |
| N15 | C18 | C19 | HR1 | 116.0° | 118.9° |
| N15 | C18 | C19 | HR2 | 122.1° | 118.8° |
| N15 | C18 | HR1 | HR2 | 121.2° | 122.3° |
| N15 | C18 | C19 | HQ1 | 86.5° | 81.1° |
| N15 | C18 | C19 | HQ2 | 151.4° | 155.1° |
| C19 | C16 | HP1 | HP2 | 123.6° | 123.2° |
| C16 | C19 | C18 | HQ1 | 114.8° | 118.1° |
| C16 | C19 | C18 | HQ2 | 123.1° | 118.1° |
| C16 | C19 | C18 | HR1 | 87.7° | 155.9° |
| C16 | C19 | C18 | HR2 | 150.4° | 81.8° |
| C16 | C19 | HQ1 | HQ2 | 124.1° | 123.9° |
| HP1 | C16 | C19 | C18 | 90.4° | 153.9° |
| HP1 | C16 | C19 | HQ1 | 154.8° | 35.8° |
| HP1 | C16 | C19 | HQ2 | 32.7° | 88.0° |
| HP2 | C16 | C19 | C18 | 147.9° | 82.9° |
| HP2 | C16 | C19 | HQ1 | 33.1° | 159.0° |
| HP2 | C16 | C19 | HQ2 | 89.1° | 35.2° |
| C17 | C20 | N22 | C23 | 122.1° | 119.9° |
| C17 | C20 | N22 | HTA | 119.0° | 120.1° |
| C17 | C20 | C23 | HTA | 119.9° | 120.0° |
| C17 | C20 | N22 | C24 | 114.3° | 155.0° |
| C17 | C20 | N22 | H53 | 65.3° | 24.9° |
| C17 | C20 | C23 | C25 | 125.9° | 60.1° |
| C17 | C20 | C23 | C26 | 6.5° | 59.9° |
| C17 | C20 | C23 | C27 | 114.7° | 179.8° |
| O21 | C17 | C20 | N22 | 32.9° | 32.7° |
| O21 | C17 | C20 | C23 | 88.3° | 87.2° |
| O21 | C17 | C20 | HTA | 151.9° | 152.7° |
| C19 | C18 | HR1 | HR2 | 121.5° | 122.3° |
| C18 | C19 | HQ1 | HQ2 | 124.1° | 123.9° |
| HR1 | C18 | C19 | HQ1 | 157.5° | 37.8° |
| HR1 | C18 | C19 | HQ2 | 35.4° | 86.1° |
| HR2 | C18 | C19 | HQ1 | 35.6° | 160.1° |
| HR2 | C18 | C19 | HQ2 | 86.5° | 36.3° |
| N22 | C20 | C23 | HTA | 119.1° | 120.0° |
| C20 | N22 | C24 | H53 | 179.6° | 179.9° |
| N22 | C20 | C23 | C25 | 113.1° | 59.9° |
| N22 | C20 | C23 | C26 | 127.5° | 179.9° |
| N22 | C20 | C23 | C27 | 6.4° | 60.2° |
| C20 | N22 | C24 | C28 | 179.5° | 180.0° |
| C20 | N22 | C24 | O29 | 0.4° | 0.0° |
| C23 | C20 | N22 | C24 | 123.7° | 85.0° |
| C23 | C20 | N22 | H53 | 56.7° | 95.0° |
| C20 | C23 | C25 | C26 | 120.1° | 120.0° |
| C20 | C23 | C25 | C27 | 120.4° | 120.0° |
| C20 | C23 | C26 | C27 | 121.7° | 119.9° |
| C20 | C23 | C25 | HT11 | 52.4° | 60.0° |
| C20 | C23 | C25 | HT12 | 66.3° | 180.0° |
| C20 | C23 | C25 | HT13 | 173.5° | 60.0° |
| C20 | C23 | C26 | HT21 | 176.1° | 56.5° |
| C20 | C23 | C26 | HT22 | 65.4° | 176.5° |
| C20 | C23 | C26 | HT23 | 55.0° | 63.4° |
| C20 | C23 | C27 | HT31 | 155.1° | 60.1° |
| C20 | C23 | C27 | HT32 | 86.2° | 180.0° |
| C20 | C23 | C27 | HT33 | 33.9° | 60.0° |
| HTA | C20 | N22 | C24 | 4.7° | 35.0° |
| HTA | C20 | N22 | H53 | 175.7° | 145.0° |
| HTA | C20 | C23 | C25 | 6.0° | 179.9° |
| HTA | C20 | C23 | C26 | 113.4° | 60.1° |
| HTA | C20 | C23 | C27 | 125.4° | 59.8° |
| N22 | C24 | C28 | O29 | 179.9° | 180.0° |
| N22 | C24 | C28 | N30 | 158.7° | 180.0° |
| N22 | C24 | C28 | C31 | 80.9° | 60.0° |
| N22 | C24 | C28 | HAA | 39.0° | 60.0° |
| H53 | N22 | C24 | C28 | 0.1° | 0.0° |
| H53 | N22 | C24 | O29 | 179.9° | 180.0° |
| C25 | C23 | C26 | C27 | 119.1° | 120.0° |
| C23 | C25 | HT11 | HT12 | 118.6° | 120.0° |
| C23 | C25 | HT11 | HT13 | 121.1° | 120.0° |
| C23 | C25 | HT12 | HT13 | 120.2° | 120.0° |
| C25 | C23 | C26 | HT21 | 57.0° | 176.5° |
| C25 | C23 | C26 | HT22 | 175.4° | 63.5° |
| C25 | C23 | C26 | HT23 | 64.1° | 56.6° |
| C25 | C23 | C27 | HT31 | 35.9° | 60.0° |
| C25 | C23 | C27 | HT32 | 154.6° | 60.0° |
| C25 | C23 | C27 | HT33 | 85.3° | 180.0° |
| C26 | C23 | C25 | HT11 | 172.6° | 60.0° |
| C26 | C23 | C25 | HT12 | 53.9° | 60.0° |
| C26 | C23 | C25 | HT13 | 66.3° | 180.0° |
| C23 | C26 | HT21 | HT22 | 118.5° | 120.0° |
| C23 | C26 | HT21 | HT23 | 121.2° | 120.0° |
| C23 | C26 | HT22 | HT23 | 120.5° | 120.0° |
| C26 | C23 | C27 | HT31 | 83.3° | 180.0° |
| C26 | C23 | C27 | HT32 | 35.4° | 60.1° |
| C26 | C23 | C27 | HT33 | 155.5° | 60.0° |
| C27 | C23 | C25 | HT11 | 68.0° | 180.0° |
| C27 | C23 | C25 | HT12 | 173.3° | 60.0° |
| C27 | C23 | C25 | HT13 | 53.1° | 60.0° |
| C27 | C23 | C26 | HT21 | 62.1° | 63.4° |
| C27 | C23 | C26 | HT22 | 56.3° | 56.6° |
| C27 | C23 | C26 | HT23 | 176.8° | 176.6° |
| C23 | C27 | HT31 | HT32 | 118.7° | 119.9° |
| C23 | C27 | HT31 | HT33 | 121.0° | 120.1° |
| C23 | C27 | HT32 | HT33 | 120.1° | 120.1° |
| C24 | C28 | N30 | C31 | 120.8° | 120.0° |
| C24 | C28 | N30 | HAA | 119.8° | 120.0° |
| C24 | C28 | C31 | HAA | 120.0° | 120.1° |
| C24 | C28 | N30 | CNM | 94.4° | 155.0° |
| C24 | C28 | N30 | H67 | 20.0° | 91.2° |
| C24 | C28 | C31 | HB1 | 110.3° | 60.1° |
| C24 | C28 | C31 | HB2 | 131.2° | 180.0° |
| C24 | C28 | C31 | HB3 | 10.8° | 60.0° |
| O29 | C24 | C28 | N30 | 21.4° | 0.0° |
| O29 | C24 | C28 | C31 | 99.1° | 120.0° |
| O29 | C24 | C28 | HAA | 141.1° | 120.0° |
| HT11 | C25 | HT12 | HT13 | 120.4° | 120.0° |
| HT21 | C26 | HT22 | HT23 | 120.3° | 120.0° |
| HT31 | C27 | HT32 | HT33 | 120.6° | 120.0° |
| N30 | C28 | C31 | HAA | 119.5° | 120.0° |
| C28 | N30 | CNM | H67 | 114.4° | 113.8° |
| N30 | C28 | C31 | HB1 | 10.3° | 180.0° |
| N30 | C28 | C31 | HB2 | 108.3° | 60.0° |
| N30 | C28 | C31 | HB3 | 131.3° | 60.0° |
| C28 | N30 | CNM | HM1 | 78.0° | 60.0° |
| C28 | N30 | CNM | HM2 | 40.7° | 60.0° |
| C28 | N30 | CNM | HM3 | 161.1° | 180.0° |
| C31 | C28 | N30 | CNM | 144.8° | 85.0° |
| C31 | C28 | N30 | H67 | 100.8° | 28.8° |
| C28 | C31 | HB1 | HB2 | 118.6° | 120.0° |
| C28 | C31 | HB1 | HB3 | 121.0° | 120.1° |
| C28 | C31 | HB2 | HB3 | 120.4° | 120.0° |
| HAA | C28 | N30 | CNM | 25.3° | 35.0° |
| HAA | C28 | N30 | H67 | 139.7° | 148.8° |
| HAA | C28 | C31 | HB1 | 129.8° | 60.0° |
| HAA | C28 | C31 | HB2 | 11.2° | 60.0° |
| HAA | C28 | C31 | HB3 | 109.2° | 179.9° |
| N30 | CNM | HM1 | HM2 | 118.7° | 120.0° |
| N30 | CNM | HM1 | HM3 | 121.0° | 120.0° |
| N30 | CNM | HM2 | HM3 | 120.4° | 120.0° |
| H67 | N30 | CNM | HM1 | 167.6° | 53.8° |
| H67 | N30 | CNM | HM2 | 73.7° | 173.8° |
| H67 | N30 | CNM | HM3 | 46.7° | 66.2° |
| HB1 | C31 | HB2 | HB3 | 120.4° | 120.0° |
| HM1 | CNM | HM2 | HM3 | 120.3° | 120.1° |
