A1A4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.36Å | 1.37Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.43Å | Aromatic |
| C27 | C26 | doub | 1.41Å | 1.42Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C26 | sing | 1.42Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.41Å | 1.42Å | Aromatic |
| C43 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.44Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.35Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | N40 | doub | 1.32Å | 1.36Å | Aromatic |
| C32 | C33 | doub | 1.36Å | 1.36Å | Aromatic |
| O37 | C36 | doub | 1.22Å | 1.22Å | |
| C38 | C36 | sing | 1.48Å | 1.53Å | |
| C38 | C39 | doub | 1.40Å | 1.40Å | Aromatic |
| N40 | C39 | sing | 1.32Å | 1.35Å | Aromatic |
| C36 | N35 | sing | 1.35Å | 1.42Å | |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| C25 | C34 | doub | 1.36Å | 1.38Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.59Å | |
| C33 | C34 | sing | 1.39Å | 1.44Å | Aromatic |
| N35 | C23 | sing | 1.46Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.59Å | |
| C12 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| N03 | C04 | sing | 1.46Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C22 | S21 | sing | 1.81Å | 1.87Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C02 | sing | 1.51Å | 1.55Å | |
| C13 | S21 | sing | 1.81Å | 1.90Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.08Å | 1.08Å | |
| C09 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| C42 | H33 | sing | 1.08Å | 1.08Å | |
| C43 | H34 | sing | 1.08Å | 1.08Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å | |
| N35 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C30 | 118.2° | 121.0° |
| C29 | C28 | C27 | 119.9° | 121.0° |
| C29 | C28 | H25 | 120.0° | 119.5° |
| C28 | C29 | H26 | 120.9° | 119.6° |
| C29 | C30 | C31 | 122.2° | 119.7° |
| C30 | C29 | H26 | 120.9° | 119.5° |
| C29 | C30 | H27 | 118.9° | 120.2° |
| C28 | C27 | C26 | 123.7° | 119.7° |
| C28 | C27 | H24 | 118.2° | 120.2° |
| C27 | C28 | H25 | 120.0° | 119.5° |
| C30 | C31 | C26 | 120.1° | 119.4° |
| C30 | C31 | C32 | 121.7° | 121.3° |
| C31 | C30 | H27 | 118.9° | 120.2° |
| C27 | C26 | C31 | 115.8° | 119.3° |
| C27 | C26 | C25 | 123.1° | 121.3° |
| C26 | C27 | H24 | 118.1° | 120.1° |
| C43 | C42 | C41 | 119.0° | 119.3° |
| C42 | C43 | C38 | 120.9° | 118.3° |
| C43 | C42 | H33 | 120.5° | 120.4° |
| C42 | C43 | H34 | 119.5° | 120.8° |
| C42 | C41 | N40 | 121.5° | 121.1° |
| C42 | C41 | H32 | 119.3° | 119.5° |
| C41 | C42 | H33 | 120.5° | 120.3° |
| C26 | C31 | C32 | 118.1° | 119.4° |
| C31 | C26 | C25 | 121.1° | 119.4° |
| C31 | C32 | C33 | 121.3° | 119.6° |
| C31 | C32 | H28 | 119.4° | 120.2° |
| C43 | C38 | C36 | 122.2° | 120.6° |
| C43 | C38 | C39 | 115.0° | 118.9° |
| C38 | C43 | H34 | 119.6° | 120.9° |
| C26 | C25 | C24 | 120.3° | 120.2° |
| C26 | C25 | C34 | 118.1° | 119.7° |
| C09 | C10 | N11 | 122.5° | 120.7° |
| C10 | C09 | C08 | 118.4° | 119.2° |
| C09 | C10 | H10 | 118.8° | 119.7° |
| C10 | C09 | H21 | 120.8° | 120.4° |
| C10 | N11 | C12 | 118.1° | 121.7° |
| N11 | C10 | H10 | 118.7° | 119.6° |
| C09 | C08 | C07 | 120.9° | 118.4° |
| C09 | C08 | H20 | 119.6° | 120.8° |
| C08 | C09 | H21 | 120.8° | 120.4° |
| C41 | N40 | C39 | 118.2° | 121.9° |
| N40 | C41 | H32 | 119.2° | 119.5° |
| C32 | C33 | C34 | 120.4° | 121.0° |
| C33 | C32 | H28 | 119.3° | 120.2° |
| C32 | C33 | H29 | 119.8° | 119.5° |
| O37 | C36 | C38 | 120.2° | 120.0° |
| O37 | C36 | N35 | 117.7° | 120.0° |
| C36 | C38 | C39 | 122.8° | 120.5° |
| C38 | C36 | N35 | 122.1° | 120.0° |
| C38 | C39 | N40 | 125.4° | 120.6° |
| C38 | C39 | H31 | 117.3° | 119.8° |
| N40 | C39 | H31 | 117.3° | 119.7° |
| C36 | N35 | C23 | 125.7° | 120.0° |
| C36 | N35 | H36 | 117.1° | 120.0° |
| C24 | C25 | C34 | 121.7° | 120.2° |
| C25 | C24 | C23 | 116.3° | 109.5° |
| C25 | C24 | H22 | 107.7° | 109.4° |
| C25 | C24 | H23 | 107.7° | 109.5° |
| C25 | C34 | C33 | 121.0° | 121.0° |
| C25 | C34 | H30 | 119.5° | 119.5° |
| N11 | C12 | C07 | 124.4° | 120.7° |
| N11 | C12 | H1 | 117.8° | 119.6° |
| C08 | C07 | C12 | 115.8° | 119.2° |
| C08 | C07 | C06 | 122.2° | 120.4° |
| C07 | C08 | H20 | 119.6° | 120.8° |
| C24 | C23 | N35 | 113.2° | 109.5° |
| C24 | C23 | C22 | 111.4° | 109.5° |
| C24 | C23 | H9 | 107.5° | 109.4° |
| C23 | C24 | H22 | 107.7° | 109.4° |
| C23 | C24 | H23 | 107.7° | 109.5° |
| C34 | C33 | H29 | 119.8° | 119.5° |
| C33 | C34 | H30 | 119.5° | 119.6° |
| N35 | C23 | C22 | 108.4° | 109.5° |
| N35 | C23 | H9 | 108.7° | 109.5° |
| C23 | N35 | H36 | 117.2° | 120.0° |
| C23 | C22 | S21 | 112.9° | 109.5° |
| C23 | C22 | H7 | 108.6° | 109.5° |
| C23 | C22 | H8 | 108.6° | 109.4° |
| C22 | C23 | H9 | 107.5° | 109.4° |
| C12 | C07 | C06 | 122.1° | 120.4° |
| C07 | C12 | H1 | 117.8° | 119.6° |
| C07 | C06 | C05 | 118.7° | 109.4° |
| C07 | C06 | H18 | 107.1° | 109.5° |
| C07 | C06 | H19 | 107.1° | 109.4° |
| C04 | N03 | C02 | 125.1° | 120.0° |
| N03 | C04 | C05 | 112.3° | 109.5° |
| N03 | C04 | H14 | 108.8° | 109.5° |
| N03 | C04 | H15 | 108.8° | 109.5° |
| C04 | N03 | H35 | 117.4° | 120.1° |
| N03 | C02 | C13 | 120.7° | 120.0° |
| N03 | C02 | O01 | 121.3° | 120.0° |
| C02 | N03 | H35 | 117.4° | 120.0° |
| C04 | C05 | C06 | 114.6° | 109.5° |
| C05 | C04 | H14 | 108.8° | 109.5° |
| C05 | C04 | H15 | 108.7° | 109.4° |
| C04 | C05 | H16 | 108.2° | 109.4° |
| C04 | C05 | H17 | 108.2° | 109.4° |
| C22 | S21 | C13 | 115.6° | 103.0° |
| S21 | C22 | H7 | 108.6° | 109.5° |
| S21 | C22 | H8 | 108.6° | 109.5° |
| C06 | C05 | H16 | 108.2° | 109.5° |
| C06 | C05 | H17 | 108.2° | 109.5° |
| C05 | C06 | H18 | 107.1° | 109.5° |
| C05 | C06 | H19 | 107.1° | 109.4° |
| C20 | C19 | C18 | 120.6° | 120.0° |
| C19 | C20 | C15 | 121.9° | 120.0° |
| C20 | C19 | H5 | 119.7° | 120.0° |
| C19 | C20 | H6 | 119.0° | 120.0° |
| C19 | C18 | C17 | 118.9° | 120.0° |
| C18 | C19 | H5 | 119.7° | 120.0° |
| C19 | C18 | H13 | 120.5° | 120.0° |
| C20 | C15 | C14 | 120.3° | 120.0° |
| C20 | C15 | C16 | 117.1° | 120.0° |
| C15 | C20 | H6 | 119.0° | 120.0° |
| C02 | C13 | S21 | 104.5° | 109.5° |
| C02 | C13 | C14 | 115.0° | 109.5° |
| C13 | C02 | O01 | 118.0° | 120.0° |
| C02 | C13 | H11 | 109.7° | 109.4° |
| S21 | C13 | C14 | 112.0° | 109.5° |
| S21 | C13 | H11 | 106.0° | 109.5° |
| C13 | C14 | C15 | 115.5° | 109.5° |
| C13 | C14 | H2 | 107.9° | 109.4° |
| C13 | C14 | H3 | 107.9° | 109.5° |
| C14 | C13 | H11 | 109.2° | 109.5° |
| C14 | C15 | C16 | 122.5° | 120.0° |
| C15 | C14 | H2 | 107.9° | 109.5° |
| C15 | C14 | H3 | 108.0° | 109.5° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C15 | C16 | H4 | 119.3° | 120.0° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C18 | C17 | H12 | 119.9° | 120.0° |
| C17 | C18 | H13 | 120.6° | 120.0° |
| C17 | C16 | H4 | 119.4° | 120.0° |
| C16 | C17 | H12 | 119.9° | 120.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.5° | 109.4° |
| H16 | C05 | H17 | 109.5° | 109.6° |
| H18 | C06 | H19 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C30 | H26 | 180.0° | 180.0° |
| C29 | C28 | C27 | H25 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C28 | C27 | C26 | 0.0° | 0.0° |
| C29 | C28 | C27 | H24 | 180.0° | 180.0° |
| C28 | C29 | C30 | H27 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.1° |
| C29 | C30 | C31 | H27 | 180.0° | 179.9° |
| C29 | C30 | C31 | C26 | 0.1° | 0.0° |
| C29 | C30 | C31 | C32 | 180.0° | 180.0° |
| C30 | C29 | C28 | H25 | 180.0° | 180.0° |
| C28 | C27 | C26 | H24 | 180.0° | 180.0° |
| C28 | C27 | C26 | C31 | 0.0° | 0.0° |
| C28 | C27 | C26 | C25 | 179.9° | 180.0° |
| C27 | C28 | C29 | H26 | 180.0° | 180.0° |
| C30 | C31 | C26 | C27 | 0.1° | 0.0° |
| C30 | C31 | C26 | C32 | 179.9° | 179.9° |
| C30 | C31 | C26 | C25 | 179.9° | 180.0° |
| C30 | C31 | C32 | C33 | 179.9° | 180.0° |
| C31 | C30 | C29 | H26 | 179.9° | 180.0° |
| C30 | C31 | C32 | H28 | 0.1° | 0.0° |
| C27 | C26 | C31 | C25 | 179.8° | 180.0° |
| C27 | C26 | C31 | C32 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | C34 | 179.9° | 179.7° |
| C26 | C27 | C28 | H25 | 180.0° | 180.0° |
| C43 | C42 | C41 | H33 | 180.0° | 180.0° |
| C42 | C43 | C38 | H34 | 180.0° | 179.9° |
| C43 | C42 | C41 | N40 | 0.0° | 0.2° |
| C42 | C43 | C38 | C36 | 179.9° | 180.0° |
| C42 | C43 | C38 | C39 | 0.1° | 0.3° |
| C43 | C42 | C41 | H32 | 180.0° | 180.0° |
| C41 | C42 | C43 | C38 | 0.0° | 0.1° |
| C42 | C41 | N40 | H32 | 180.0° | 179.7° |
| C42 | C41 | N40 | C39 | 0.1° | 0.2° |
| C41 | C42 | C43 | H34 | 180.0° | 180.0° |
| C26 | C31 | C32 | C33 | 0.0° | 0.1° |
| C31 | C26 | C25 | C24 | 179.8° | 180.0° |
| C31 | C26 | C25 | C34 | 0.3° | 0.2° |
| C31 | C26 | C27 | H24 | 180.0° | 180.0° |
| C26 | C31 | C30 | H27 | 179.9° | 179.9° |
| C26 | C31 | C32 | H28 | 180.0° | 180.0° |
| C32 | C31 | C26 | C25 | 0.2° | 0.1° |
| C31 | C32 | C33 | H28 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.2° |
| C32 | C31 | C30 | H27 | 0.0° | 0.0° |
| C31 | C32 | C33 | H29 | 179.9° | 180.0° |
| C43 | C38 | C36 | O37 | 5.8° | 0.3° |
| C43 | C38 | C36 | C39 | 180.0° | 179.7° |
| C43 | C38 | C39 | N40 | 0.1° | 0.3° |
| C43 | C38 | C36 | N35 | 174.2° | 179.7° |
| C43 | C38 | C39 | H31 | 179.9° | 179.7° |
| C38 | C43 | C42 | H33 | 180.0° | 180.0° |
| C26 | C25 | C24 | C34 | 179.9° | 179.7° |
| C26 | C25 | C24 | C23 | 84.7° | 81.6° |
| C26 | C25 | C34 | C33 | 0.2° | 0.5° |
| C26 | C25 | C24 | H22 | 154.3° | 158.4° |
| C26 | C25 | C24 | H23 | 36.3° | 38.4° |
| C25 | C26 | C27 | H24 | 0.1° | 0.0° |
| C26 | C25 | C34 | H30 | 179.8° | 179.7° |
| C09 | C10 | N11 | H10 | 180.0° | 179.8° |
| C10 | C09 | C08 | H21 | 180.0° | 179.8° |
| C09 | C10 | N11 | C12 | 0.1° | 0.5° |
| C10 | C09 | C08 | C07 | 0.9° | 0.1° |
| C10 | C09 | C08 | H20 | 179.1° | 180.0° |
| N11 | C10 | C09 | C08 | 0.4° | 0.2° |
| C10 | N11 | C12 | C07 | 0.3° | 0.6° |
| C10 | N11 | C12 | H1 | 179.7° | 179.7° |
| N11 | C10 | C09 | H21 | 179.6° | 180.0° |
| C09 | C08 | C07 | H20 | 180.0° | 179.9° |
| C09 | C08 | C07 | C12 | 1.0° | 0.0° |
| C09 | C08 | C07 | C06 | 179.1° | 180.0° |
| C08 | C09 | C10 | H10 | 179.7° | 180.0° |
| C41 | N40 | C39 | C38 | 0.1° | 0.1° |
| C41 | N40 | C39 | H31 | 179.9° | 180.0° |
| N40 | C41 | C42 | H33 | 180.0° | 179.7° |
| C32 | C33 | C34 | C25 | 0.1° | 0.4° |
| C32 | C33 | C34 | H29 | 180.0° | 179.8° |
| C32 | C33 | C34 | H30 | 179.9° | 179.7° |
| O37 | C36 | C38 | N35 | 180.0° | 180.0° |
| O37 | C36 | C38 | C39 | 174.2° | 180.0° |
| O37 | C36 | N35 | C23 | 0.6° | 4.5° |
| O37 | C36 | N35 | H36 | 179.4° | 175.5° |
| C36 | C38 | C39 | N40 | 179.9° | 180.0° |
| C38 | C36 | N35 | C23 | 179.4° | 175.5° |
| C36 | C38 | C39 | H31 | 0.1° | 0.0° |
| C36 | C38 | C43 | H34 | 0.1° | 0.1° |
| C38 | C36 | N35 | H36 | 0.6° | 4.5° |
| C38 | C39 | N40 | H31 | 180.0° | 180.0° |
| C39 | C38 | C36 | N35 | 5.8° | 0.0° |
| C39 | C38 | C43 | H34 | 179.9° | 179.7° |
| C39 | N40 | C41 | H32 | 179.9° | 180.0° |
| C36 | N35 | C23 | C24 | 103.6° | 62.7° |
| C36 | N35 | C23 | H36 | 180.0° | 180.0° |
| C36 | N35 | C23 | C22 | 132.3° | 57.4° |
| C36 | N35 | C23 | H9 | 15.7° | 177.3° |
| C25 | C24 | C23 | H22 | 121.0° | 120.0° |
| C25 | C24 | C23 | H23 | 121.0° | 120.1° |
| C24 | C25 | C34 | C33 | 179.9° | 179.8° |
| C25 | C24 | C23 | N35 | 147.5° | 64.1° |
| C25 | C24 | C23 | C22 | 90.0° | 175.8° |
| C25 | C24 | C23 | H9 | 27.5° | 55.9° |
| C25 | C24 | H22 | H23 | 116.9° | 120.0° |
| C24 | C25 | C34 | H30 | 0.1° | 0.1° |
| C34 | C25 | C24 | C23 | 95.1° | 98.1° |
| C25 | C34 | C33 | H30 | 180.0° | 179.9° |
| C34 | C25 | C24 | H22 | 25.8° | 21.9° |
| C34 | C25 | C24 | H23 | 143.9° | 141.9° |
| C25 | C34 | C33 | H29 | 180.0° | 179.7° |
| N11 | C12 | C07 | C08 | 0.8° | 0.3° |
| N11 | C12 | C07 | H1 | 180.0° | 179.7° |
| N11 | C12 | C07 | C06 | 178.8° | 179.7° |
| C12 | N11 | C10 | H10 | 180.0° | 179.7° |
| C08 | C07 | C12 | C06 | 178.0° | 180.0° |
| C08 | C07 | C06 | C05 | 87.1° | 90.0° |
| C08 | C07 | C12 | H1 | 179.2° | 180.0° |
| C08 | C07 | C06 | H18 | 34.2° | 150.1° |
| C08 | C07 | C06 | H19 | 151.6° | 30.0° |
| C07 | C08 | C09 | H21 | 179.1° | 179.8° |
| C24 | C23 | N35 | C22 | 124.1° | 120.1° |
| C24 | C23 | N35 | H9 | 119.4° | 120.0° |
| C24 | C23 | C22 | H9 | 117.5° | 119.9° |
| C24 | C23 | C22 | S21 | 161.3° | 175.0° |
| C24 | C23 | C22 | H7 | 40.8° | 55.0° |
| C24 | C23 | C22 | H8 | 78.2° | 65.1° |
| C23 | C24 | H22 | H23 | 116.9° | 120.0° |
| C24 | C23 | N35 | H36 | 76.4° | 117.3° |
| C34 | C33 | C32 | H28 | 179.9° | 179.8° |
| N35 | C23 | C22 | H9 | 117.3° | 120.0° |
| N35 | C23 | C22 | S21 | 73.5° | 65.0° |
| N35 | C23 | C22 | H7 | 166.0° | 175.0° |
| N35 | C23 | C22 | H8 | 47.0° | 55.0° |
| N35 | C23 | C24 | H22 | 91.5° | 55.8° |
| N35 | C23 | C24 | H23 | 26.5° | 175.8° |
| C23 | C22 | S21 | H7 | 120.5° | 120.0° |
| C23 | C22 | S21 | H8 | 120.5° | 120.0° |
| C23 | C22 | S21 | C13 | 54.8° | 174.9° |
| C23 | C22 | H7 | H8 | 118.4° | 120.0° |
| C22 | C23 | C24 | H22 | 31.0° | 64.2° |
| C22 | C23 | C24 | H23 | 149.0° | 55.7° |
| C22 | C23 | N35 | H36 | 47.7° | 122.6° |
| C12 | C07 | C06 | C05 | 95.0° | 90.1° |
| C12 | C07 | C06 | H18 | 143.7° | 29.9° |
| C12 | C07 | C06 | H19 | 26.3° | 150.0° |
| C12 | C07 | C08 | H20 | 178.9° | 179.9° |
| C07 | C06 | C05 | C04 | 3.9° | 180.0° |
| C07 | C06 | C05 | H18 | 121.3° | 120.0° |
| C07 | C06 | C05 | H19 | 121.3° | 119.9° |
| C06 | C07 | C12 | H1 | 1.2° | 0.0° |
| C07 | C06 | C05 | H16 | 116.9° | 60.0° |
| C07 | C06 | C05 | H17 | 124.6° | 60.1° |
| C07 | C06 | H18 | H19 | 115.8° | 120.0° |
| C06 | C07 | C08 | H20 | 0.9° | 0.0° |
| C04 | N03 | C02 | H35 | 180.0° | 179.9° |
| N03 | C04 | C05 | H14 | 120.4° | 120.0° |
| N03 | C04 | C05 | H15 | 120.4° | 120.0° |
| N03 | C04 | C05 | C06 | 129.9° | 180.0° |
| C04 | N03 | C02 | C13 | 179.4° | 180.0° |
| C04 | N03 | C02 | O01 | 1.0° | 0.0° |
| N03 | C04 | H14 | H15 | 118.7° | 120.0° |
| N03 | C04 | C05 | H16 | 109.4° | 60.0° |
| N03 | C04 | C05 | H17 | 9.1° | 60.0° |
| C02 | N03 | C04 | C05 | 64.2° | 180.0° |
| N03 | C02 | C13 | O01 | 179.6° | 180.0° |
| N03 | C02 | C13 | S21 | 115.1° | 154.9° |
| N03 | C02 | C13 | C14 | 121.8° | 85.0° |
| N03 | C02 | C13 | H11 | 1.7° | 35.0° |
| C02 | N03 | C04 | H14 | 175.4° | 59.9° |
| C02 | N03 | C04 | H15 | 56.2° | 60.1° |
| C04 | C05 | C06 | H16 | 120.7° | 119.9° |
| C04 | C05 | C06 | H17 | 120.8° | 119.9° |
| C05 | C04 | H14 | H15 | 118.7° | 119.9° |
| C04 | C05 | H16 | H17 | 117.7° | 119.9° |
| C04 | C05 | C06 | H18 | 117.5° | 60.0° |
| C04 | C05 | C06 | H19 | 125.1° | 60.1° |
| C05 | C04 | N03 | H35 | 115.8° | 0.0° |
| C22 | S21 | C13 | C02 | 58.4° | 172.1° |
| C22 | S21 | C13 | C14 | 176.5° | 67.9° |
| S21 | C22 | H7 | H8 | 118.5° | 120.0° |
| S21 | C22 | C23 | H9 | 43.8° | 55.0° |
| C22 | S21 | C13 | H11 | 57.6° | 52.2° |
| C06 | C05 | C04 | H14 | 9.4° | 60.0° |
| C06 | C05 | C04 | H15 | 109.7° | 60.0° |
| C06 | C05 | H16 | H17 | 117.7° | 120.1° |
| C05 | C06 | H18 | H19 | 115.8° | 120.0° |
| C20 | C19 | C18 | H5 | 180.0° | 179.9° |
| C19 | C20 | C15 | H6 | 180.0° | 179.9° |
| C19 | C20 | C15 | C14 | 178.2° | 180.0° |
| C19 | C20 | C15 | C16 | 1.0° | 0.2° |
| C20 | C19 | C18 | C17 | 0.0° | 0.2° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.5° | 0.0° |
| C19 | C18 | C17 | H13 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.0° | 0.2° |
| C18 | C19 | C20 | H6 | 179.5° | 179.9° |
| C19 | C18 | C17 | H12 | 180.0° | 179.8° |
| C20 | C15 | C14 | C13 | 69.8° | 84.7° |
| C20 | C15 | C14 | C16 | 177.1° | 179.8° |
| C20 | C15 | C16 | C17 | 1.0° | 0.2° |
| C20 | C15 | C14 | H2 | 169.3° | 35.3° |
| C20 | C15 | C14 | H3 | 51.0° | 155.3° |
| C20 | C15 | C16 | H4 | 179.0° | 179.8° |
| C15 | C20 | C19 | H5 | 179.5° | 179.9° |
| C02 | C13 | S21 | C14 | 125.1° | 120.0° |
| C02 | C13 | S21 | H11 | 115.9° | 120.0° |
| C02 | C13 | C14 | H11 | 123.8° | 120.0° |
| C02 | C13 | C14 | C15 | 45.1° | 63.8° |
| C02 | C13 | C14 | H2 | 75.8° | 176.2° |
| C02 | C13 | C14 | H3 | 166.0° | 56.2° |
| C13 | C02 | N03 | H35 | 0.6° | 0.0° |
| S21 | C13 | C14 | H11 | 117.1° | 120.0° |
| S21 | C13 | C02 | O01 | 65.4° | 25.0° |
| S21 | C13 | C14 | C15 | 164.2° | 176.2° |
| S21 | C13 | C14 | H2 | 43.4° | 56.2° |
| S21 | C13 | C14 | H3 | 74.9° | 63.8° |
| C13 | S21 | C22 | H7 | 65.7° | 65.1° |
| C13 | S21 | C22 | H8 | 175.3° | 55.0° |
| C14 | C13 | C02 | O01 | 57.8° | 95.0° |
| C13 | C14 | C15 | H2 | 120.9° | 119.9° |
| C13 | C14 | C15 | H3 | 120.9° | 120.0° |
| C13 | C14 | C15 | C16 | 107.3° | 95.6° |
| C13 | C14 | H2 | H3 | 117.3° | 120.0° |
| O01 | C02 | C13 | H11 | 178.7° | 145.0° |
| O01 | C02 | N03 | H35 | 179.0° | 180.0° |
| C14 | C15 | C16 | C17 | 178.2° | 180.0° |
| C15 | C14 | H2 | H3 | 117.3° | 120.0° |
| C14 | C15 | C16 | H4 | 1.8° | 0.0° |
| C14 | C15 | C20 | H6 | 1.8° | 0.1° |
| C15 | C14 | C13 | H11 | 78.7° | 56.1° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | H2 | 13.6° | 144.5° |
| C16 | C15 | C14 | H3 | 131.9° | 24.5° |
| C16 | C15 | C20 | H6 | 179.0° | 179.7° |
| C15 | C16 | C17 | H12 | 179.4° | 180.0° |
| C18 | C17 | C16 | H12 | 180.0° | 180.0° |
| C18 | C17 | C16 | H4 | 179.5° | 180.0° |
| C17 | C18 | C19 | H5 | 180.0° | 179.7° |
| C16 | C17 | C18 | H13 | 180.0° | 180.0° |
| H2 | C14 | C13 | H11 | 160.4° | 63.8° |
| H3 | C14 | C13 | H11 | 42.2° | 176.1° |
| H4 | C16 | C17 | H12 | 0.6° | 0.0° |
| H5 | C19 | C20 | H6 | 0.5° | 0.0° |
| H5 | C19 | C18 | H13 | 0.0° | 0.1° |
| H7 | C22 | C23 | H9 | 76.7° | 65.0° |
| H8 | C22 | C23 | H9 | 164.3° | 175.0° |
| H9 | C23 | C24 | H22 | 148.4° | 175.8° |
| H9 | C23 | C24 | H23 | 93.5° | 64.2° |
| H9 | C23 | N35 | H36 | 164.3° | 2.7° |
| H10 | C10 | C09 | H21 | 0.4° | 0.2° |
| H12 | C17 | C18 | H13 | 0.0° | 0.0° |
| H14 | C04 | C05 | H16 | 130.2° | 60.0° |
| H14 | C04 | C05 | H17 | 111.3° | 179.9° |
| H14 | C04 | N03 | H35 | 4.6° | 120.0° |
| H15 | C04 | C05 | H16 | 11.0° | 180.0° |
| H15 | C04 | C05 | H17 | 129.5° | 60.0° |
| H15 | C04 | N03 | H35 | 123.8° | 120.0° |
| H16 | C05 | C06 | H18 | 121.8° | 179.9° |
| H16 | C05 | C06 | H19 | 4.4° | 59.9° |
| H17 | C05 | C06 | H18 | 3.3° | 59.9° |
| H17 | C05 | C06 | H19 | 114.1° | 180.0° |
| H20 | C08 | C09 | H21 | 0.9° | 0.2° |
| H24 | C27 | C28 | H25 | 0.0° | 0.0° |
| H25 | C28 | C29 | H26 | 0.0° | 0.0° |
| H26 | C29 | C30 | H27 | 0.0° | 0.1° |
| H28 | C32 | C33 | H29 | 0.1° | 0.0° |
| H29 | C33 | C34 | H30 | 0.0° | 0.1° |
| H32 | C41 | C42 | H33 | 0.0° | 0.0° |
| H33 | C42 | C43 | H34 | 0.1° | 0.0° |
