QDV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.44Å | Aromatic |
| C38 | C37 | sing | 1.37Å | 1.45Å | Aromatic |
| C40 | C35 | doub | 1.39Å | 1.43Å | Aromatic |
| C37 | C36 | doub | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.43Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.40Å | Aromatic |
| C35 | N34 | sing | 1.38Å | 1.37Å | Aromatic |
| C36 | C32 | sing | 1.47Å | 1.45Å | Aromatic |
| N27 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| N34 | C33 | sing | 1.37Å | 1.36Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | doub | 1.34Å | 1.45Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C31 | C09 | sing | 1.53Å | 1.62Å | |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C09 | N08 | sing | 1.47Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| S11 | C10 | sing | 1.81Å | 1.87Å | |
| S11 | C12 | sing | 1.81Å | 1.86Å | |
| N08 | C06 | sing | 1.35Å | 1.44Å | |
| O07 | C06 | doub | 1.22Å | 1.25Å | |
| N22 | C23 | sing | 1.46Å | 1.45Å | |
| N22 | C20 | sing | 1.35Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.58Å | |
| C06 | O05 | sing | 1.35Å | 1.44Å | |
| C12 | C20 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C03 | C02 | sing | 1.53Å | 1.47Å | |
| C20 | O21 | doub | 1.21Å | 1.28Å | |
| O05 | C02 | sing | 1.45Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.08Å | 1.08Å | |
| C40 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C37 | H33 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.08Å | 1.08Å | |
| N08 | H36 | sing | 0.97Å | 1.00Å | |
| N22 | H37 | sing | 0.97Å | 1.00Å | |
| N34 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C39 | C40 | 121.0° | 120.6° |
| C39 | C38 | C37 | 121.2° | 120.6° |
| C39 | C38 | H34 | 119.4° | 119.7° |
| C38 | C39 | H35 | 119.5° | 119.7° |
| C39 | C40 | C35 | 116.3° | 119.8° |
| C39 | C40 | H4 | 121.9° | 120.1° |
| C40 | C39 | H35 | 119.5° | 119.7° |
| C38 | C37 | C36 | 117.7° | 119.7° |
| C38 | C37 | H33 | 121.2° | 120.2° |
| C37 | C38 | H34 | 119.4° | 119.7° |
| C40 | C35 | C36 | 123.5° | 119.3° |
| C40 | C35 | N34 | 129.5° | 133.6° |
| C35 | C40 | H4 | 121.9° | 120.1° |
| C37 | C36 | C35 | 120.3° | 120.0° |
| C37 | C36 | C32 | 130.4° | 134.0° |
| C36 | C37 | H33 | 121.1° | 120.1° |
| C29 | C28 | N27 | 119.3° | 120.7° |
| C28 | C29 | C30 | 118.9° | 119.2° |
| C29 | C28 | H28 | 120.4° | 119.6° |
| C28 | C29 | H29 | 120.6° | 120.4° |
| C28 | N27 | C26 | 123.4° | 121.7° |
| N27 | C28 | H28 | 120.4° | 119.7° |
| C29 | C30 | C25 | 119.6° | 118.4° |
| C29 | C30 | H3 | 120.2° | 120.8° |
| C30 | C29 | H29 | 120.6° | 120.4° |
| C36 | C35 | N34 | 106.9° | 107.1° |
| C35 | C36 | C32 | 109.3° | 106.0° |
| C35 | N34 | C33 | 111.6° | 109.9° |
| C35 | N34 | H38 | 124.2° | 125.0° |
| C36 | C32 | C31 | 130.6° | 126.5° |
| C36 | C32 | C33 | 103.9° | 107.0° |
| N27 | C26 | C25 | 121.0° | 120.8° |
| N27 | C26 | H27 | 119.5° | 119.6° |
| N34 | C33 | C32 | 108.2° | 110.0° |
| N34 | C33 | H32 | 125.9° | 125.1° |
| C33 | N34 | H38 | 124.2° | 125.1° |
| C31 | C32 | C33 | 125.4° | 126.5° |
| C32 | C31 | C09 | 119.7° | 109.5° |
| C32 | C31 | H30 | 106.8° | 109.4° |
| C32 | C31 | H31 | 106.9° | 109.4° |
| C32 | C33 | H32 | 125.9° | 125.0° |
| C30 | C25 | C26 | 117.9° | 119.2° |
| C30 | C25 | C24 | 120.7° | 120.4° |
| C25 | C30 | H3 | 120.2° | 120.8° |
| C31 | C09 | N08 | 113.6° | 109.4° |
| C31 | C09 | C10 | 109.1° | 109.5° |
| C31 | C09 | H14 | 107.8° | 109.4° |
| C09 | C31 | H30 | 106.9° | 109.5° |
| C09 | C31 | H31 | 106.8° | 109.5° |
| C26 | C25 | C24 | 121.5° | 120.4° |
| C25 | C26 | H27 | 119.5° | 119.6° |
| C25 | C24 | C23 | 114.5° | 109.4° |
| C25 | C24 | H25 | 108.2° | 109.5° |
| C25 | C24 | H26 | 108.2° | 109.5° |
| N08 | C09 | C10 | 107.8° | 109.5° |
| C09 | N08 | C06 | 118.6° | 120.0° |
| N08 | C09 | H14 | 109.8° | 109.4° |
| C09 | N08 | H36 | 120.7° | 120.0° |
| C09 | C10 | S11 | 112.3° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.4° |
| C09 | C10 | H2 | 108.8° | 109.5° |
| C10 | C09 | H14 | 108.7° | 109.5° |
| C10 | S11 | C12 | 110.0° | 103.0° |
| S11 | C10 | H1 | 108.8° | 109.5° |
| S11 | C10 | H2 | 108.7° | 109.5° |
| S11 | C12 | C20 | 109.4° | 109.5° |
| S11 | C12 | C13 | 108.2° | 109.5° |
| S11 | C12 | H15 | 106.9° | 109.5° |
| N08 | C06 | O07 | 116.9° | 120.0° |
| N08 | C06 | O05 | 121.6° | 120.0° |
| C06 | N08 | H36 | 120.7° | 120.0° |
| O07 | C06 | O05 | 121.5° | 120.0° |
| C23 | N22 | C20 | 124.4° | 120.0° |
| N22 | C23 | C24 | 109.5° | 109.4° |
| N22 | C23 | H23 | 109.5° | 109.5° |
| N22 | C23 | H24 | 109.5° | 109.5° |
| C23 | N22 | H37 | 117.8° | 120.1° |
| N22 | C20 | C12 | 125.3° | 120.0° |
| N22 | C20 | O21 | 113.7° | 120.0° |
| C20 | N22 | H37 | 117.8° | 119.9° |
| C24 | C23 | H23 | 109.5° | 109.4° |
| C24 | C23 | H24 | 109.5° | 109.5° |
| C23 | C24 | H25 | 108.2° | 109.5° |
| C23 | C24 | H26 | 108.2° | 109.4° |
| C06 | O05 | C02 | 120.9° | 117.0° |
| C20 | C12 | C13 | 111.2° | 109.5° |
| C12 | C20 | O21 | 121.1° | 120.0° |
| C20 | C12 | H15 | 110.7° | 109.4° |
| C12 | C13 | C14 | 115.1° | 109.5° |
| C13 | C12 | H15 | 110.2° | 109.5° |
| C12 | C13 | H16 | 108.0° | 109.5° |
| C12 | C13 | H17 | 108.0° | 109.5° |
| C03 | C02 | O05 | 114.8° | 109.5° |
| C03 | C02 | C04 | 106.7° | 109.5° |
| C03 | C02 | C01 | 110.0° | 109.5° |
| C02 | C03 | H8 | 109.5° | 109.4° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| O05 | C02 | C04 | 105.5° | 109.5° |
| O05 | C02 | C01 | 109.8° | 109.5° |
| C13 | C14 | C15 | 121.2° | 120.0° |
| C13 | C14 | C19 | 120.4° | 120.1° |
| C14 | C13 | H16 | 108.0° | 109.4° |
| C14 | C13 | H17 | 108.1° | 109.5° |
| C04 | C02 | C01 | 109.7° | 109.4° |
| C02 | C04 | H11 | 109.5° | 109.4° |
| C02 | C04 | H12 | 109.5° | 109.4° |
| C02 | C04 | H13 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C14 | C15 | C16 | 121.1° | 120.0° |
| C15 | C14 | C19 | 118.4° | 120.0° |
| C14 | C15 | H18 | 119.5° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C16 | C15 | H18 | 119.4° | 120.0° |
| C15 | C16 | H19 | 119.9° | 120.0° |
| C14 | C19 | C18 | 121.1° | 120.0° |
| C14 | C19 | H22 | 119.5° | 120.0° |
| C16 | C17 | C18 | 119.0° | 120.0° |
| C17 | C16 | H19 | 119.9° | 120.0° |
| C16 | C17 | H20 | 120.5° | 120.0° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C19 | C18 | H21 | 119.8° | 120.0° |
| C18 | C19 | H22 | 119.5° | 120.0° |
| C18 | C17 | H20 | 120.5° | 120.0° |
| C17 | C18 | H21 | 119.8° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.6° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H8 | C03 | H10 | 109.4° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H11 | C04 | H13 | 109.4° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C39 | C40 | H35 | 180.0° | 179.4° |
| C39 | C38 | C37 | H34 | 180.0° | 179.7° |
| C38 | C39 | C40 | C35 | 0.1° | 0.6° |
| C39 | C38 | C37 | C36 | 0.1° | 0.2° |
| C38 | C39 | C40 | H4 | 179.9° | 179.7° |
| C39 | C38 | C37 | H33 | 179.9° | 179.7° |
| C40 | C39 | C38 | C37 | 0.0° | 0.6° |
| C39 | C40 | C35 | H4 | 180.0° | 179.7° |
| C39 | C40 | C35 | C36 | 0.1° | 0.3° |
| C39 | C40 | C35 | N34 | 179.9° | 179.7° |
| C40 | C39 | C38 | H34 | 180.0° | 179.7° |
| C38 | C37 | C36 | H33 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.1° |
| C38 | C37 | C36 | C32 | 179.9° | 180.0° |
| C37 | C38 | C39 | H35 | 180.0° | 180.0° |
| C40 | C35 | C36 | C37 | 0.1° | 0.1° |
| C40 | C35 | C36 | N34 | 180.0° | 180.0° |
| C40 | C35 | C36 | C32 | 179.8° | 180.0° |
| C40 | C35 | N34 | C33 | 179.9° | 180.0° |
| C35 | C40 | C39 | H35 | 179.9° | 180.0° |
| C40 | C35 | N34 | H38 | 0.1° | 0.0° |
| C37 | C36 | C35 | C32 | 179.8° | 179.9° |
| C37 | C36 | C35 | N34 | 180.0° | 179.9° |
| C37 | C36 | C32 | C31 | 0.5° | 0.1° |
| C37 | C36 | C32 | C33 | 179.9° | 179.9° |
| C36 | C37 | C38 | H34 | 179.9° | 180.0° |
| C29 | C28 | N27 | H28 | 180.0° | 179.5° |
| C28 | C29 | C30 | H29 | 180.0° | 179.5° |
| C29 | C28 | N27 | C26 | 0.1° | 0.8° |
| C28 | C29 | C30 | C25 | 0.4° | 0.0° |
| C28 | C29 | C30 | H3 | 179.6° | 179.7° |
| N27 | C28 | C29 | C30 | 0.2° | 0.5° |
| C28 | N27 | C26 | C25 | 0.1° | 0.5° |
| C28 | N27 | C26 | H27 | 179.9° | 179.5° |
| N27 | C28 | C29 | H29 | 179.8° | 180.0° |
| C29 | C30 | C25 | H3 | 180.0° | 179.7° |
| C29 | C30 | C25 | C26 | 0.4° | 0.3° |
| C29 | C30 | C25 | C24 | 180.0° | 179.7° |
| C30 | C29 | C28 | H28 | 179.8° | 180.0° |
| C36 | C35 | N34 | C33 | 0.0° | 0.0° |
| C35 | C36 | C32 | C31 | 179.7° | 180.0° |
| C35 | C36 | C32 | C33 | 0.3° | 0.0° |
| C36 | C35 | C40 | H4 | 179.9° | 180.0° |
| C35 | C36 | C37 | H33 | 179.8° | 180.0° |
| C36 | C35 | N34 | H38 | 180.0° | 180.0° |
| N34 | C35 | C36 | C32 | 0.2° | 0.0° |
| C35 | N34 | C33 | H38 | 180.0° | 179.9° |
| C35 | N34 | C33 | C32 | 0.2° | 0.1° |
| N34 | C35 | C40 | H4 | 0.1° | 0.0° |
| C35 | N34 | C33 | H32 | 179.7° | 180.0° |
| C36 | C32 | C33 | N34 | 0.3° | 0.0° |
| C36 | C32 | C31 | C33 | 179.3° | 180.0° |
| C36 | C32 | C31 | C09 | 150.5° | 85.0° |
| C36 | C32 | C31 | H30 | 88.1° | 35.0° |
| C36 | C32 | C31 | H31 | 29.0° | 155.0° |
| C36 | C32 | C33 | H32 | 179.6° | 180.0° |
| C32 | C36 | C37 | H33 | 0.1° | 0.1° |
| N27 | C26 | C25 | C30 | 0.3° | 0.1° |
| N27 | C26 | C25 | H27 | 180.0° | 179.9° |
| N27 | C26 | C25 | C24 | 179.8° | 180.0° |
| C26 | N27 | C28 | H28 | 179.9° | 179.7° |
| N34 | C33 | C32 | C31 | 179.8° | 180.0° |
| N34 | C33 | C32 | H32 | 180.0° | 180.0° |
| C32 | C31 | C09 | H30 | 121.4° | 120.0° |
| C32 | C31 | C09 | H31 | 121.5° | 120.0° |
| C32 | C31 | C09 | N08 | 29.2° | 65.0° |
| C32 | C31 | C09 | C10 | 91.0° | 175.0° |
| C32 | C31 | C09 | H14 | 151.1° | 55.0° |
| C32 | C31 | H30 | H31 | 115.4° | 119.9° |
| C31 | C32 | C33 | H32 | 0.2° | 0.0° |
| C33 | C32 | C31 | C09 | 30.2° | 94.9° |
| C33 | C32 | C31 | H30 | 91.2° | 145.0° |
| C33 | C32 | C31 | H31 | 151.6° | 25.1° |
| C32 | C33 | N34 | H38 | 179.8° | 180.0° |
| C30 | C25 | C26 | C24 | 179.5° | 180.0° |
| C30 | C25 | C24 | C23 | 74.0° | 90.1° |
| C30 | C25 | C24 | H25 | 46.8° | 30.0° |
| C30 | C25 | C24 | H26 | 165.3° | 150.0° |
| C30 | C25 | C26 | H27 | 179.7° | 180.0° |
| C25 | C30 | C29 | H29 | 179.6° | 179.4° |
| C31 | C09 | N08 | C10 | 121.0° | 120.0° |
| C31 | C09 | N08 | H14 | 120.8° | 119.9° |
| C31 | C09 | C10 | H14 | 117.3° | 120.0° |
| C31 | C09 | C10 | S11 | 36.9° | 175.0° |
| C31 | C09 | N08 | C06 | 138.2° | 60.0° |
| C31 | C09 | C10 | H1 | 83.5° | 55.0° |
| C31 | C09 | C10 | H2 | 157.3° | 65.0° |
| C09 | C31 | H30 | H31 | 115.4° | 120.0° |
| C31 | C09 | N08 | H36 | 41.9° | 120.0° |
| C26 | C25 | C24 | C23 | 105.6° | 90.0° |
| C26 | C25 | C30 | H3 | 179.6° | 180.0° |
| C26 | C25 | C24 | H25 | 133.7° | 150.0° |
| C26 | C25 | C24 | H26 | 15.2° | 29.9° |
| C25 | C24 | C23 | N22 | 80.9° | 180.0° |
| C25 | C24 | C23 | H25 | 120.7° | 120.0° |
| C25 | C24 | C23 | H26 | 120.7° | 120.0° |
| C24 | C25 | C30 | H3 | 0.1° | 0.1° |
| C25 | C24 | C23 | H23 | 39.1° | 60.1° |
| C25 | C24 | C23 | H24 | 159.1° | 60.0° |
| C25 | C24 | H25 | H26 | 117.7° | 120.0° |
| C24 | C25 | C26 | H27 | 0.2° | 0.0° |
| N08 | C09 | C10 | H14 | 118.9° | 120.0° |
| N08 | C09 | C10 | S11 | 160.7° | 65.0° |
| C09 | N08 | C06 | H36 | 180.0° | 179.9° |
| C09 | N08 | C06 | O07 | 20.9° | 0.0° |
| C09 | N08 | C06 | O05 | 158.1° | 180.0° |
| N08 | C09 | C10 | H1 | 40.2° | 175.0° |
| N08 | C09 | C10 | H2 | 78.9° | 55.0° |
| N08 | C09 | C31 | H30 | 92.2° | 55.0° |
| N08 | C09 | C31 | H31 | 150.7° | 175.1° |
| C09 | C10 | S11 | H1 | 120.4° | 119.9° |
| C09 | C10 | S11 | H2 | 120.4° | 120.0° |
| C09 | C10 | S11 | C12 | 155.1° | 174.9° |
| C10 | C09 | N08 | C06 | 100.8° | 60.0° |
| C09 | C10 | H1 | H2 | 118.7° | 120.0° |
| C10 | C09 | C31 | H30 | 147.5° | 65.0° |
| C10 | C09 | C31 | H31 | 30.4° | 55.0° |
| C10 | C09 | N08 | H36 | 79.2° | 120.0° |
| C10 | S11 | C12 | C20 | 41.1° | 171.9° |
| C10 | S11 | C12 | C13 | 80.3° | 68.1° |
| S11 | C10 | H1 | H2 | 118.7° | 120.0° |
| S11 | C10 | C09 | H14 | 80.4° | 55.0° |
| C10 | S11 | C12 | H15 | 161.0° | 52.0° |
| S11 | C12 | C20 | N22 | 96.1° | 154.9° |
| S11 | C12 | C20 | C13 | 119.6° | 120.0° |
| S11 | C12 | C20 | H15 | 117.6° | 120.0° |
| S11 | C12 | C13 | H15 | 116.6° | 120.0° |
| S11 | C12 | C20 | O21 | 83.9° | 24.9° |
| S11 | C12 | C13 | C14 | 148.9° | 174.3° |
| C12 | S11 | C10 | H1 | 34.7° | 65.1° |
| C12 | S11 | C10 | H2 | 84.5° | 54.9° |
| S11 | C12 | C13 | H16 | 90.3° | 65.8° |
| S11 | C12 | C13 | H17 | 28.1° | 54.2° |
| N08 | C06 | O07 | O05 | 179.0° | 180.0° |
| N08 | C06 | O05 | C02 | 167.6° | 180.0° |
| C06 | N08 | C09 | H14 | 17.4° | 180.0° |
| O07 | C06 | O05 | C02 | 13.5° | 0.0° |
| O07 | C06 | N08 | H36 | 159.2° | 180.0° |
| C23 | N22 | C20 | H37 | 180.0° | 179.9° |
| N22 | C23 | C24 | H23 | 120.0° | 119.9° |
| N22 | C23 | C24 | H24 | 120.0° | 120.0° |
| C23 | N22 | C20 | C12 | 179.6° | 180.0° |
| C23 | N22 | C20 | O21 | 0.4° | 0.1° |
| N22 | C23 | H23 | H24 | 120.0° | 120.1° |
| N22 | C23 | C24 | H25 | 39.9° | 60.0° |
| N22 | C23 | C24 | H26 | 158.4° | 60.0° |
| C20 | N22 | C23 | C24 | 143.4° | 179.9° |
| N22 | C20 | C12 | O21 | 180.0° | 179.9° |
| N22 | C20 | C12 | C13 | 144.3° | 85.0° |
| N22 | C20 | C12 | H15 | 21.4° | 35.0° |
| C20 | N22 | C23 | H23 | 96.6° | 60.0° |
| C20 | N22 | C23 | H24 | 23.4° | 60.1° |
| C24 | C23 | H23 | H24 | 120.0° | 120.0° |
| C23 | C24 | H25 | H26 | 117.7° | 120.0° |
| C24 | C23 | N22 | H37 | 36.6° | 0.0° |
| C06 | O05 | C02 | C03 | 39.6° | 180.0° |
| C06 | O05 | C02 | C04 | 156.8° | 60.0° |
| C06 | O05 | C02 | C01 | 85.0° | 60.0° |
| O05 | C06 | N08 | H36 | 21.9° | 0.0° |
| C20 | C12 | C13 | H15 | 123.1° | 120.0° |
| C20 | C12 | C13 | C14 | 90.8° | 65.8° |
| C20 | C12 | C13 | H16 | 30.0° | 54.2° |
| C20 | C12 | C13 | H17 | 148.3° | 174.2° |
| C12 | C20 | N22 | H37 | 0.4° | 0.1° |
| C13 | C12 | C20 | O21 | 35.7° | 95.1° |
| C12 | C13 | C14 | H16 | 120.8° | 120.0° |
| C12 | C13 | C14 | H17 | 120.8° | 120.1° |
| C12 | C13 | C14 | C15 | 115.7° | 83.3° |
| C12 | C13 | C14 | C19 | 63.8° | 96.5° |
| C12 | C13 | H16 | H17 | 117.4° | 120.0° |
| C03 | C02 | O05 | C04 | 117.2° | 120.0° |
| C03 | C02 | O05 | C01 | 124.5° | 120.0° |
| C03 | C02 | C04 | C01 | 119.2° | 120.0° |
| C03 | C02 | C01 | H5 | 180.0° | 59.9° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 180.0° |
| C02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C02 | C03 | H8 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C03 | C02 | C04 | H11 | 180.0° | 180.0° |
| C03 | C02 | C04 | H12 | 60.0° | 60.0° |
| C03 | C02 | C04 | H13 | 60.0° | 60.0° |
| O21 | C20 | C12 | H15 | 158.6° | 144.9° |
| O21 | C20 | N22 | H37 | 179.6° | 180.0° |
| O05 | C02 | C04 | C01 | 118.3° | 120.0° |
| O05 | C02 | C01 | H5 | 52.8° | 180.0° |
| O05 | C02 | C01 | H6 | 172.8° | 60.0° |
| O05 | C02 | C01 | H7 | 67.2° | 59.9° |
| O05 | C02 | C03 | H8 | 180.0° | 60.0° |
| O05 | C02 | C03 | H9 | 60.0° | 60.0° |
| O05 | C02 | C03 | H10 | 60.0° | 180.0° |
| O05 | C02 | C04 | H11 | 57.5° | 60.0° |
| O05 | C02 | C04 | H12 | 62.5° | 60.0° |
| O05 | C02 | C04 | H13 | 177.4° | 180.0° |
| C13 | C14 | C15 | C19 | 179.5° | 179.8° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C19 | C18 | 179.8° | 179.8° |
| C14 | C13 | C12 | H15 | 32.3° | 54.2° |
| C14 | C13 | H16 | H17 | 117.4° | 120.0° |
| C13 | C14 | C15 | H18 | 0.2° | 0.1° |
| C13 | C14 | C19 | H22 | 0.2° | 0.1° |
| C04 | C02 | C01 | H5 | 62.8° | 60.0° |
| C04 | C02 | C01 | H6 | 57.1° | 180.0° |
| C04 | C02 | C01 | H7 | 177.2° | 60.0° |
| C04 | C02 | C03 | H8 | 63.5° | 60.0° |
| C04 | C02 | C03 | H9 | 56.5° | 180.0° |
| C04 | C02 | C03 | H10 | 176.5° | 60.0° |
| C02 | C04 | H11 | H12 | 120.0° | 120.0° |
| C02 | C04 | H11 | H13 | 120.0° | 120.0° |
| C02 | C04 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 119.9° |
| C01 | C02 | C03 | H8 | 55.5° | 180.0° |
| C01 | C02 | C03 | H9 | 175.5° | 60.1° |
| C01 | C02 | C03 | H10 | 64.4° | 60.0° |
| C01 | C02 | C04 | H11 | 60.8° | 60.0° |
| C01 | C02 | C04 | H12 | 179.2° | 180.0° |
| C01 | C02 | C04 | H13 | 59.1° | 60.0° |
| C14 | C15 | C16 | H18 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C19 | C18 | 0.3° | 0.4° |
| C15 | C14 | C13 | H16 | 123.5° | 156.7° |
| C15 | C14 | C13 | H17 | 5.2° | 36.8° |
| C14 | C15 | C16 | H19 | 179.8° | 180.0° |
| C15 | C14 | C19 | H22 | 179.7° | 179.7° |
| C16 | C15 | C14 | C19 | 0.2° | 0.2° |
| C15 | C16 | C17 | H19 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C15 | C16 | C17 | H20 | 179.8° | 180.0° |
| C14 | C19 | C18 | H22 | 180.0° | 179.8° |
| C14 | C19 | C18 | C17 | 0.3° | 0.4° |
| C19 | C14 | C13 | H16 | 57.0° | 23.5° |
| C19 | C14 | C13 | H17 | 175.3° | 143.4° |
| C19 | C14 | C15 | H18 | 179.7° | 179.7° |
| C14 | C19 | C18 | H21 | 179.7° | 179.8° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C16 | C17 | C18 | H20 | 180.0° | 180.0° |
| C17 | C16 | C15 | H18 | 179.8° | 180.0° |
| C16 | C17 | C18 | H21 | 179.7° | 180.0° |
| C19 | C18 | C17 | H21 | 180.0° | 179.8° |
| C19 | C18 | C17 | H20 | 179.7° | 179.8° |
| C18 | C17 | C16 | H19 | 179.8° | 180.0° |
| C17 | C18 | C19 | H22 | 179.7° | 179.7° |
| H1 | C10 | C09 | H14 | 159.2° | 65.0° |
| H2 | C10 | C09 | H14 | 40.0° | 175.0° |
| H3 | C30 | C29 | H29 | 0.4° | 0.2° |
| H4 | C40 | C39 | H35 | 0.1° | 0.3° |
| H5 | C01 | H6 | H7 | 120.0° | 120.1° |
| H8 | C03 | H9 | H10 | 120.0° | 120.0° |
| H11 | C04 | H12 | H13 | 120.0° | 120.0° |
| H14 | C09 | C31 | H30 | 29.7° | 175.0° |
| H14 | C09 | C31 | H31 | 87.4° | 65.0° |
| H14 | C09 | N08 | H36 | 162.6° | 0.1° |
| H15 | C12 | C13 | H16 | 153.1° | 174.2° |
| H15 | C12 | C13 | H17 | 88.5° | 65.9° |
| H18 | C15 | C16 | H19 | 0.2° | 0.1° |
| H19 | C16 | C17 | H20 | 0.2° | 0.0° |
| H20 | C17 | C18 | H21 | 0.3° | 0.0° |
| H21 | C18 | C19 | H22 | 0.3° | 0.0° |
| H23 | C23 | C24 | H25 | 159.9° | 60.0° |
| H23 | C23 | C24 | H26 | 81.6° | 180.0° |
| H23 | C23 | N22 | H37 | 83.4° | 119.9° |
| H24 | C23 | C24 | H25 | 80.1° | 180.0° |
| H24 | C23 | C24 | H26 | 38.4° | 60.0° |
| H24 | C23 | N22 | H37 | 156.6° | 120.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.5° |
| H32 | C33 | N34 | H38 | 0.3° | 0.0° |
| H33 | C37 | C38 | H34 | 0.1° | 0.0° |
| H34 | C38 | C39 | H35 | 0.0° | 0.3° |
