QDY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N27 | C28 | doub | 1.32Å | 1.35Å | Aromatic |
| N27 | C26 | sing | 1.32Å | 1.35Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| O21 | C20 | doub | 1.21Å | 1.22Å | |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C20 | sing | 1.51Å | 1.53Å | |
| C12 | S11 | sing | 1.81Å | 1.85Å | |
| C20 | N22 | sing | 1.35Å | 1.41Å | |
| C25 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| S11 | C10 | sing | 1.81Å | 1.85Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| N22 | C23 | sing | 1.46Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C10 | C09 | sing | 1.53Å | 1.58Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | O05 | sing | 1.45Å | 1.47Å | |
| O07 | C06 | doub | 1.22Å | 1.23Å | |
| C06 | N08 | sing | 1.35Å | 1.43Å | |
| C06 | O05 | sing | 1.35Å | 1.38Å | |
| C09 | N08 | sing | 1.46Å | 1.48Å | |
| C09 | C31 | sing | 1.53Å | 1.59Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C41 | C32 | doub | 1.36Å | 1.37Å | Aromatic |
| C41 | C40 | sing | 1.39Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.41Å | 1.45Å | Aromatic |
| C40 | C39 | doub | 1.36Å | 1.36Å | Aromatic |
| C33 | C34 | doub | 1.41Å | 1.42Å | Aromatic |
| C33 | C38 | sing | 1.42Å | 1.42Å | Aromatic |
| C39 | C38 | sing | 1.41Å | 1.42Å | Aromatic |
| C34 | C35 | sing | 1.36Å | 1.37Å | Aromatic |
| C38 | C37 | doub | 1.40Å | 1.43Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| C41 | H37 | sing | 1.08Å | 1.08Å | |
| N08 | H38 | sing | 0.97Å | 1.00Å | |
| N22 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 120.3° | 120.1° |
| C18 | C17 | C16 | 119.1° | 120.0° |
| C18 | C17 | H8 | 120.5° | 120.0° |
| C17 | C18 | H9 | 119.9° | 120.0° |
| C18 | C19 | C14 | 121.5° | 119.9° |
| C19 | C18 | H9 | 119.9° | 119.9° |
| C18 | C19 | H10 | 119.2° | 120.1° |
| C28 | N27 | C26 | 117.6° | 121.7° |
| N27 | C28 | C29 | 121.9° | 120.7° |
| N27 | C28 | H26 | 119.0° | 119.6° |
| N27 | C26 | C25 | 125.4° | 120.8° |
| N27 | C26 | H25 | 117.3° | 119.6° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C17 | C16 | H7 | 119.8° | 120.0° |
| C16 | C17 | H8 | 120.5° | 120.0° |
| C19 | C14 | C15 | 117.1° | 120.0° |
| C19 | C14 | C13 | 122.5° | 120.0° |
| C14 | C19 | H10 | 119.2° | 120.0° |
| C16 | C15 | C14 | 121.6° | 120.0° |
| C16 | C15 | H6 | 119.2° | 120.0° |
| C15 | C16 | H7 | 119.8° | 120.0° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C14 | C15 | H6 | 119.2° | 120.0° |
| C14 | C13 | C12 | 114.4° | 109.5° |
| C14 | C13 | H4 | 108.2° | 109.5° |
| C14 | C13 | H5 | 108.2° | 109.5° |
| C28 | C29 | C30 | 118.9° | 119.2° |
| C29 | C28 | H26 | 119.0° | 119.6° |
| C28 | C29 | H27 | 120.6° | 120.4° |
| C13 | C12 | C20 | 112.0° | 109.5° |
| C13 | C12 | S11 | 107.0° | 109.5° |
| C13 | C12 | H3 | 110.5° | 109.5° |
| C12 | C13 | H4 | 108.2° | 109.5° |
| C12 | C13 | H5 | 108.2° | 109.4° |
| C26 | C25 | C30 | 115.0° | 119.1° |
| C26 | C25 | C24 | 121.7° | 120.4° |
| C25 | C26 | H25 | 117.3° | 119.6° |
| O21 | C20 | C12 | 122.7° | 120.0° |
| O21 | C20 | N22 | 115.7° | 120.0° |
| C29 | C30 | C25 | 121.1° | 118.4° |
| C30 | C29 | H27 | 120.5° | 120.4° |
| C29 | C30 | H28 | 119.4° | 120.8° |
| C20 | C12 | S11 | 109.8° | 109.5° |
| C12 | C20 | N22 | 121.6° | 120.0° |
| C20 | C12 | H3 | 110.5° | 109.5° |
| C12 | S11 | C10 | 111.7° | 103.0° |
| S11 | C12 | H3 | 106.9° | 109.4° |
| C20 | N22 | C23 | 125.5° | 120.0° |
| C20 | N22 | H39 | 117.2° | 120.0° |
| C30 | C25 | C24 | 123.3° | 120.4° |
| C25 | C30 | H28 | 119.5° | 120.8° |
| C25 | C24 | C23 | 114.8° | 109.4° |
| C25 | C24 | H23 | 108.1° | 109.5° |
| C25 | C24 | H24 | 108.1° | 109.5° |
| S11 | C10 | C09 | 112.8° | 109.5° |
| S11 | C10 | H1 | 108.6° | 109.4° |
| S11 | C10 | H2 | 108.6° | 109.4° |
| C24 | C23 | N22 | 113.4° | 109.4° |
| C24 | C23 | H21 | 108.5° | 109.5° |
| C24 | C23 | H22 | 108.5° | 109.5° |
| C23 | C24 | H23 | 108.1° | 109.5° |
| C23 | C24 | H24 | 108.1° | 109.5° |
| N22 | C23 | H21 | 108.5° | 109.5° |
| N22 | C23 | H22 | 108.5° | 109.5° |
| C23 | N22 | H39 | 117.3° | 120.0° |
| C03 | C02 | C04 | 107.1° | 109.5° |
| C03 | C02 | C01 | 109.0° | 109.5° |
| C03 | C02 | O05 | 108.5° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.4° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C10 | C09 | N08 | 111.0° | 109.5° |
| C10 | C09 | C31 | 110.3° | 109.4° |
| C09 | C10 | H1 | 108.6° | 109.5° |
| C09 | C10 | H2 | 108.7° | 109.5° |
| C10 | C09 | H20 | 107.5° | 109.5° |
| C04 | C02 | C01 | 108.6° | 109.5° |
| C04 | C02 | O05 | 109.8° | 109.5° |
| C02 | C04 | H17 | 109.5° | 109.5° |
| C02 | C04 | H18 | 109.5° | 109.4° |
| C02 | C04 | H19 | 109.5° | 109.4° |
| C01 | C02 | O05 | 113.7° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | O05 | C06 | 124.0° | 117.0° |
| O07 | C06 | N08 | 117.1° | 120.1° |
| O07 | C06 | O05 | 124.1° | 119.9° |
| N08 | C06 | O05 | 118.8° | 120.0° |
| C06 | N08 | C09 | 128.3° | 120.0° |
| C06 | N08 | H38 | 115.9° | 120.0° |
| N08 | C09 | C31 | 111.7° | 109.5° |
| N08 | C09 | H20 | 108.7° | 109.5° |
| C09 | N08 | H38 | 115.9° | 120.0° |
| C09 | C31 | C32 | 116.8° | 109.5° |
| C31 | C09 | H20 | 107.4° | 109.4° |
| C09 | C31 | H29 | 107.6° | 109.5° |
| C09 | C31 | H30 | 107.6° | 109.4° |
| C31 | C32 | C41 | 119.6° | 120.2° |
| C31 | C32 | C33 | 122.8° | 120.2° |
| C32 | C31 | H29 | 107.6° | 109.5° |
| C32 | C31 | H30 | 107.6° | 109.4° |
| C32 | C41 | C40 | 121.8° | 121.0° |
| C41 | C32 | C33 | 117.6° | 119.6° |
| C32 | C41 | H37 | 119.1° | 119.5° |
| C41 | C40 | C39 | 121.1° | 121.0° |
| C41 | C40 | H36 | 119.5° | 119.5° |
| C40 | C41 | H37 | 119.1° | 119.5° |
| C32 | C33 | C34 | 123.2° | 121.3° |
| C32 | C33 | C38 | 120.6° | 119.4° |
| C40 | C39 | C38 | 119.8° | 119.7° |
| C40 | C39 | H35 | 120.1° | 120.1° |
| C39 | C40 | H36 | 119.4° | 119.5° |
| C34 | C33 | C38 | 116.2° | 119.3° |
| C33 | C34 | C35 | 122.3° | 119.7° |
| C33 | C34 | H31 | 118.9° | 120.2° |
| C33 | C38 | C39 | 119.1° | 119.3° |
| C33 | C38 | C37 | 120.6° | 119.4° |
| C39 | C38 | C37 | 120.3° | 121.3° |
| C38 | C39 | H35 | 120.1° | 120.2° |
| C34 | C35 | C36 | 120.8° | 121.0° |
| C35 | C34 | H31 | 118.8° | 120.2° |
| C34 | C35 | H32 | 119.6° | 119.5° |
| C38 | C37 | C36 | 120.9° | 119.6° |
| C38 | C37 | H34 | 119.5° | 120.2° |
| C35 | C36 | C37 | 119.1° | 121.0° |
| C36 | C35 | H32 | 119.6° | 119.5° |
| C35 | C36 | H33 | 120.5° | 119.5° |
| C37 | C36 | H33 | 120.4° | 119.5° |
| C36 | C37 | H34 | 119.6° | 120.2° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.4° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.4° |
| H14 | C03 | H15 | 109.5° | 109.4° |
| H14 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H17 | C04 | H19 | 109.5° | 109.5° |
| H18 | C04 | H19 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H9 | 180.0° | 179.8° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.6° | 0.5° |
| C18 | C17 | C16 | C15 | 0.7° | 0.1° |
| C18 | C17 | C16 | H7 | 179.3° | 180.0° |
| C17 | C18 | C19 | H10 | 179.4° | 180.0° |
| C19 | C18 | C17 | C16 | 0.7° | 0.2° |
| C18 | C19 | C14 | H10 | 180.0° | 179.5° |
| C18 | C19 | C14 | C15 | 0.4° | 0.5° |
| C18 | C19 | C14 | C13 | 179.6° | 179.7° |
| C19 | C18 | C17 | H8 | 179.3° | 179.7° |
| N27 | C28 | C29 | H26 | 180.0° | 179.5° |
| C28 | N27 | C26 | C25 | 0.5° | 0.0° |
| N27 | C28 | C29 | C30 | 0.2° | 0.5° |
| C28 | N27 | C26 | H25 | 179.5° | 180.0° |
| N27 | C28 | C29 | H27 | 179.8° | 179.6° |
| C26 | N27 | C28 | C29 | 0.3° | 0.2° |
| N27 | C26 | C25 | H25 | 180.0° | 180.0° |
| N27 | C26 | C25 | C30 | 0.6° | 0.0° |
| N27 | C26 | C25 | C24 | 179.8° | 179.7° |
| C26 | N27 | C28 | H26 | 179.7° | 179.8° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.0° |
| C17 | C16 | C15 | H6 | 179.4° | 180.0° |
| C16 | C17 | C18 | H9 | 179.3° | 180.0° |
| C19 | C14 | C15 | C16 | 0.4° | 0.3° |
| C19 | C14 | C15 | C13 | 179.2° | 179.8° |
| C19 | C14 | C13 | C12 | 101.8° | 96.7° |
| C19 | C14 | C13 | H4 | 137.5° | 143.3° |
| C19 | C14 | C13 | H5 | 18.9° | 23.3° |
| C19 | C14 | C15 | H6 | 179.6° | 179.7° |
| C14 | C19 | C18 | H9 | 179.5° | 179.7° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.7° | 180.0° |
| C15 | C16 | C17 | H8 | 179.3° | 180.0° |
| C15 | C14 | C13 | C12 | 77.4° | 83.6° |
| C15 | C14 | C13 | H4 | 43.3° | 36.4° |
| C15 | C14 | C13 | H5 | 161.9° | 156.5° |
| C14 | C15 | C16 | H7 | 179.4° | 180.0° |
| C15 | C14 | C19 | H10 | 179.6° | 180.0° |
| C14 | C13 | C12 | H4 | 120.7° | 120.0° |
| C14 | C13 | C12 | H5 | 120.7° | 120.0° |
| C14 | C13 | C12 | C20 | 148.7° | 65.7° |
| C14 | C13 | C12 | S11 | 90.9° | 174.2° |
| C14 | C13 | C12 | H3 | 25.0° | 54.3° |
| C14 | C13 | H4 | H5 | 117.8° | 120.0° |
| C13 | C14 | C15 | H6 | 0.3° | 0.1° |
| C13 | C14 | C19 | H10 | 0.3° | 0.2° |
| C28 | C29 | C30 | H27 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 0.3° | 0.5° |
| C28 | C29 | C30 | H28 | 179.7° | 179.5° |
| C13 | C12 | C20 | O21 | 49.8° | 100.1° |
| C13 | C12 | C20 | S11 | 118.7° | 120.0° |
| C13 | C12 | C20 | H3 | 123.6° | 120.0° |
| C13 | C12 | S11 | H3 | 118.3° | 120.0° |
| C13 | C12 | C20 | N22 | 129.7° | 80.0° |
| C13 | C12 | S11 | C10 | 173.2° | 68.5° |
| C12 | C13 | H4 | H5 | 117.8° | 120.0° |
| C26 | C25 | C30 | C29 | 0.4° | 0.3° |
| C26 | C25 | C30 | C24 | 179.2° | 179.8° |
| C26 | C25 | C24 | C23 | 91.9° | 89.7° |
| C26 | C25 | C24 | H23 | 147.4° | 150.3° |
| C26 | C25 | C24 | H24 | 28.9° | 30.2° |
| C26 | C25 | C30 | H28 | 179.6° | 179.7° |
| O21 | C20 | C12 | N22 | 179.5° | 179.9° |
| O21 | C20 | C12 | S11 | 68.9° | 19.9° |
| O21 | C20 | N22 | C23 | 0.0° | 0.0° |
| O21 | C20 | C12 | H3 | 173.4° | 139.9° |
| O21 | C20 | N22 | H39 | 180.0° | 179.9° |
| C29 | C30 | C25 | H28 | 180.0° | 180.0° |
| C29 | C30 | C25 | C24 | 179.7° | 180.0° |
| C30 | C29 | C28 | H26 | 179.8° | 180.0° |
| C20 | C12 | S11 | H3 | 119.9° | 120.0° |
| C20 | C12 | S11 | C10 | 65.0° | 171.5° |
| C12 | C20 | N22 | C23 | 179.5° | 180.0° |
| C20 | C12 | C13 | H4 | 28.0° | 174.3° |
| C20 | C12 | C13 | H5 | 90.6° | 54.3° |
| C12 | C20 | N22 | H39 | 0.5° | 0.0° |
| S11 | C12 | C20 | N22 | 111.6° | 160.0° |
| C12 | S11 | C10 | C09 | 47.3° | 174.9° |
| C12 | S11 | C10 | H1 | 73.2° | 54.9° |
| C12 | S11 | C10 | H2 | 167.8° | 65.1° |
| S11 | C12 | C13 | H4 | 148.4° | 54.2° |
| S11 | C12 | C13 | H5 | 29.8° | 65.8° |
| C20 | N22 | C23 | C24 | 120.9° | 180.0° |
| C20 | N22 | C23 | H39 | 180.0° | 180.0° |
| N22 | C20 | C12 | H3 | 6.1° | 40.0° |
| C20 | N22 | C23 | H21 | 118.5° | 60.0° |
| C20 | N22 | C23 | H22 | 0.3° | 60.0° |
| C30 | C25 | C24 | C23 | 87.3° | 90.0° |
| C30 | C25 | C24 | H23 | 33.5° | 30.0° |
| C30 | C25 | C24 | H24 | 151.9° | 150.0° |
| C30 | C25 | C26 | H25 | 179.4° | 180.0° |
| C25 | C30 | C29 | H27 | 179.7° | 179.5° |
| C25 | C24 | C23 | H23 | 120.8° | 120.0° |
| C25 | C24 | C23 | H24 | 120.7° | 120.0° |
| C25 | C24 | C23 | N22 | 19.3° | 180.0° |
| C25 | C24 | C23 | H21 | 139.9° | 60.0° |
| C25 | C24 | C23 | H22 | 101.3° | 60.0° |
| C25 | C24 | H23 | H24 | 117.6° | 120.0° |
| C24 | C25 | C26 | H25 | 0.2° | 0.3° |
| C24 | C25 | C30 | H28 | 0.3° | 0.0° |
| S11 | C10 | C09 | H1 | 120.5° | 120.0° |
| S11 | C10 | C09 | H2 | 120.5° | 119.9° |
| S11 | C10 | C09 | N08 | 74.0° | 60.0° |
| S11 | C10 | C09 | C31 | 161.6° | 180.0° |
| S11 | C10 | H1 | H2 | 118.5° | 119.9° |
| C10 | S11 | C12 | H3 | 54.9° | 51.5° |
| S11 | C10 | C09 | H20 | 44.8° | 60.0° |
| C24 | C23 | N22 | H21 | 120.6° | 120.0° |
| C24 | C23 | N22 | H22 | 120.6° | 120.0° |
| C24 | C23 | H21 | H22 | 118.2° | 120.0° |
| C23 | C24 | H23 | H24 | 117.6° | 120.0° |
| C24 | C23 | N22 | H39 | 59.1° | 0.0° |
| N22 | C23 | H21 | H22 | 118.2° | 120.0° |
| N22 | C23 | C24 | H23 | 101.5° | 60.0° |
| N22 | C23 | C24 | H24 | 140.0° | 60.0° |
| C03 | C02 | C04 | C01 | 117.6° | 120.0° |
| C03 | C02 | C04 | O05 | 117.6° | 120.0° |
| C03 | C02 | C01 | O05 | 121.1° | 120.0° |
| C03 | C02 | O05 | C06 | 47.5° | 180.0° |
| C03 | C02 | C01 | H11 | 180.0° | 60.0° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | C01 | H13 | 60.0° | 179.9° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | H14 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | C02 | C04 | H17 | 180.0° | 180.0° |
| C03 | C02 | C04 | H18 | 60.0° | 60.0° |
| C03 | C02 | C04 | H19 | 60.0° | 60.0° |
| C10 | C09 | N08 | C06 | 139.0° | 60.0° |
| C10 | C09 | N08 | C31 | 123.6° | 120.0° |
| C10 | C09 | N08 | H20 | 118.1° | 120.0° |
| C10 | C09 | C31 | H20 | 116.9° | 119.9° |
| C10 | C09 | C31 | C32 | 115.3° | 175.0° |
| C09 | C10 | H1 | H2 | 118.5° | 120.1° |
| C10 | C09 | C31 | H29 | 5.8° | 55.0° |
| C10 | C09 | C31 | H30 | 123.7° | 65.0° |
| C10 | C09 | N08 | H38 | 41.0° | 120.0° |
| C04 | C02 | C01 | O05 | 122.5° | 120.0° |
| C04 | C02 | O05 | C06 | 164.3° | 60.0° |
| C04 | C02 | C01 | H11 | 63.6° | 60.0° |
| C04 | C02 | C01 | H12 | 56.4° | 180.0° |
| C04 | C02 | C01 | H13 | 176.4° | 60.1° |
| C04 | C02 | C03 | H14 | 180.0° | 60.0° |
| C04 | C02 | C03 | H15 | 60.0° | 180.0° |
| C04 | C02 | C03 | H16 | 60.0° | 60.0° |
| C02 | C04 | H17 | H18 | 120.0° | 120.0° |
| C02 | C04 | H17 | H19 | 120.0° | 120.0° |
| C02 | C04 | H18 | H19 | 120.0° | 120.0° |
| C01 | C02 | O05 | C06 | 73.9° | 60.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H14 | 62.7° | 180.0° |
| C01 | C02 | C03 | H15 | 57.3° | 60.0° |
| C01 | C02 | C03 | H16 | 177.3° | 60.0° |
| C01 | C02 | C04 | H17 | 62.4° | 60.0° |
| C01 | C02 | C04 | H18 | 177.6° | 180.0° |
| C01 | C02 | C04 | H19 | 57.6° | 60.0° |
| C02 | O05 | C06 | O07 | 30.2° | 0.1° |
| C02 | O05 | C06 | N08 | 150.4° | 180.0° |
| O05 | C02 | C01 | H11 | 58.9° | 180.0° |
| O05 | C02 | C01 | H12 | 178.9° | 60.0° |
| O05 | C02 | C01 | H13 | 61.1° | 60.0° |
| O05 | C02 | C03 | H14 | 61.6° | 60.0° |
| O05 | C02 | C03 | H15 | 178.4° | 60.0° |
| O05 | C02 | C03 | H16 | 58.4° | 180.0° |
| O05 | C02 | C04 | H17 | 62.4° | 60.0° |
| O05 | C02 | C04 | H18 | 57.6° | 60.0° |
| O05 | C02 | C04 | H19 | 177.6° | 180.0° |
| O07 | C06 | N08 | O05 | 179.4° | 179.9° |
| O07 | C06 | N08 | C09 | 6.7° | 0.1° |
| O07 | C06 | N08 | H38 | 173.3° | 179.9° |
| C06 | N08 | C09 | H38 | 180.0° | 180.0° |
| C06 | N08 | C09 | C31 | 97.4° | 60.0° |
| C06 | N08 | C09 | H20 | 20.9° | 180.0° |
| O05 | C06 | N08 | C09 | 172.7° | 180.0° |
| O05 | C06 | N08 | H38 | 7.3° | 0.0° |
| N08 | C09 | C31 | H20 | 119.1° | 120.0° |
| N08 | C09 | C31 | C32 | 120.7° | 65.0° |
| N08 | C09 | C10 | H1 | 165.5° | 60.0° |
| N08 | C09 | C10 | H2 | 46.5° | 179.9° |
| N08 | C09 | C31 | H29 | 118.2° | 175.0° |
| N08 | C09 | C31 | H30 | 0.4° | 55.0° |
| C09 | C31 | C32 | H29 | 121.1° | 120.0° |
| C09 | C31 | C32 | H30 | 121.1° | 119.9° |
| C09 | C31 | C32 | C41 | 54.5° | 95.2° |
| C09 | C31 | C32 | C33 | 125.5° | 85.0° |
| C31 | C09 | C10 | H1 | 41.1° | 60.1° |
| C31 | C09 | C10 | H2 | 77.9° | 60.0° |
| C09 | C31 | H29 | H30 | 116.7° | 120.0° |
| C31 | C09 | N08 | H38 | 82.6° | 120.0° |
| C31 | C32 | C41 | C33 | 180.0° | 179.7° |
| C31 | C32 | C41 | C40 | 180.0° | 179.7° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | C38 | 179.9° | 180.0° |
| C32 | C31 | C09 | H20 | 1.6° | 55.1° |
| C32 | C31 | H29 | H30 | 116.7° | 120.0° |
| C31 | C32 | C41 | H37 | 0.0° | 0.0° |
| C32 | C41 | C40 | H37 | 180.0° | 179.7° |
| C32 | C41 | C40 | C39 | 0.1° | 0.6° |
| C41 | C32 | C33 | C34 | 180.0° | 179.8° |
| C41 | C32 | C33 | C38 | 0.0° | 0.3° |
| C41 | C32 | C31 | H29 | 175.6° | 144.7° |
| C41 | C32 | C31 | H30 | 66.6° | 24.7° |
| C32 | C41 | C40 | H36 | 179.9° | 179.7° |
| C40 | C41 | C32 | C33 | 0.0° | 0.5° |
| C41 | C40 | C39 | H36 | 180.0° | 179.7° |
| C41 | C40 | C39 | C38 | 0.1° | 0.4° |
| C41 | C40 | C39 | H35 | 179.9° | 179.8° |
| C32 | C33 | C34 | C38 | 179.9° | 179.9° |
| C32 | C33 | C38 | C39 | 0.0° | 0.1° |
| C32 | C33 | C34 | C35 | 179.9° | 180.0° |
| C32 | C33 | C38 | C37 | 180.0° | 180.0° |
| C33 | C32 | C31 | H29 | 4.4° | 35.0° |
| C33 | C32 | C31 | H30 | 113.4° | 155.0° |
| C32 | C33 | C34 | H31 | 0.1° | 0.0° |
| C33 | C32 | C41 | H37 | 180.0° | 179.7° |
| C40 | C39 | C38 | C33 | 0.0° | 0.1° |
| C40 | C39 | C38 | H35 | 180.0° | 179.8° |
| C40 | C39 | C38 | C37 | 180.0° | 180.0° |
| C39 | C40 | C41 | H37 | 179.9° | 179.7° |
| C34 | C33 | C38 | C39 | 180.0° | 180.0° |
| C33 | C34 | C35 | H31 | 180.0° | 180.0° |
| C34 | C33 | C38 | C37 | 0.0° | 0.1° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C33 | C34 | C35 | H32 | 179.8° | 180.0° |
| C33 | C38 | C39 | C37 | 180.0° | 179.9° |
| C38 | C33 | C34 | C35 | 0.0° | 0.0° |
| C33 | C38 | C37 | C36 | 0.1° | 0.1° |
| C38 | C33 | C34 | H31 | 180.0° | 180.0° |
| C33 | C38 | C37 | H34 | 179.9° | 180.0° |
| C33 | C38 | C39 | H35 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 179.9° | 180.0° |
| C39 | C38 | C37 | H34 | 0.1° | 0.2° |
| C38 | C39 | C40 | H36 | 179.9° | 180.0° |
| C34 | C35 | C36 | H32 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C34 | C35 | C36 | H33 | 179.7° | 180.0° |
| C38 | C37 | C36 | C35 | 0.3° | 0.1° |
| C38 | C37 | C36 | H34 | 180.0° | 179.8° |
| C38 | C37 | C36 | H33 | 179.8° | 180.0° |
| C37 | C38 | C39 | H35 | 0.0° | 0.2° |
| C35 | C36 | C37 | H33 | 180.0° | 179.9° |
| C36 | C35 | C34 | H31 | 179.8° | 180.0° |
| C35 | C36 | C37 | H34 | 179.7° | 179.9° |
| C37 | C36 | C35 | H32 | 179.7° | 180.0° |
| H1 | C10 | C09 | H20 | 75.7° | 180.0° |
| H2 | C10 | C09 | H20 | 165.3° | 59.9° |
| H3 | C12 | C13 | H4 | 95.6° | 65.7° |
| H3 | C12 | C13 | H5 | 145.7° | 174.3° |
| H6 | C15 | C16 | H7 | 0.6° | 0.0° |
| H7 | C16 | C17 | H8 | 0.7° | 0.0° |
| H8 | C17 | C18 | H9 | 0.7° | 0.0° |
| H9 | C18 | C19 | H10 | 0.6° | 0.2° |
| H11 | C01 | H12 | H13 | 119.9° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 120.0° |
| H17 | C04 | H18 | H19 | 120.0° | 120.0° |
| H20 | C09 | C31 | H29 | 122.7° | 65.0° |
| H20 | C09 | C31 | H30 | 119.4° | 175.0° |
| H20 | C09 | N08 | H38 | 159.1° | 0.0° |
| H21 | C23 | C24 | H23 | 19.1° | 60.0° |
| H21 | C23 | C24 | H24 | 99.4° | 180.0° |
| H21 | C23 | N22 | H39 | 61.5° | 120.0° |
| H22 | C23 | C24 | H23 | 137.9° | 180.0° |
| H22 | C23 | C24 | H24 | 19.4° | 60.0° |
| H22 | C23 | N22 | H39 | 179.7° | 120.0° |
| H26 | C28 | C29 | H27 | 0.2° | 0.0° |
| H27 | C29 | C30 | H28 | 0.2° | 0.5° |
| H31 | C34 | C35 | H32 | 0.2° | 0.0° |
| H32 | C35 | C36 | H33 | 0.3° | 0.0° |
| H33 | C36 | C37 | H34 | 0.2° | 0.1° |
| H35 | C39 | C40 | H36 | 0.1° | 0.1° |
| H36 | C40 | C41 | H37 | 0.1° | 0.0° |
