X7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C02 | sing | 1.53Å | 1.57Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | O05 | sing | 1.45Å | 1.47Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.37Å | |
| C36 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.36Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | C38 | sing | 1.36Å | 1.38Å | Aromatic |
| S11 | C10 | sing | 1.81Å | 1.88Å | |
| S11 | C12 | sing | 1.81Å | 1.88Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.56Å | |
| C35 | C34 | doub | 1.41Å | 1.44Å | Aromatic |
| C06 | N08 | sing | 1.35Å | 1.39Å | |
| C06 | O07 | doub | 1.21Å | 1.23Å | |
| C12 | C20 | sing | 1.51Å | 1.54Å | |
| C09 | N08 | sing | 1.47Å | 1.44Å | |
| C09 | C32 | sing | 1.53Å | 1.58Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.40Å | 1.44Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C39 | sing | 1.42Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.47Å | Aromatic |
| N22 | C20 | sing | 1.35Å | 1.40Å | |
| N22 | C23 | sing | 1.46Å | 1.49Å | |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | O21 | doub | 1.21Å | 1.25Å | |
| C39 | C40 | sing | 1.41Å | 1.44Å | Aromatic |
| C29 | N30 | doub | 1.32Å | 1.35Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | C42 | doub | 1.36Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.57Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C41 | doub | 1.36Å | 1.38Å | Aromatic |
| N30 | C31 | sing | 1.32Å | 1.36Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.41Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H39 | sing | 1.08Å | 1.08Å | |
| N08 | H40 | sing | 0.97Å | 1.00Å | |
| N22 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C02 | C01 | 107.8° | 109.5° |
| C04 | C02 | C03 | 107.2° | 109.5° |
| C04 | C02 | O05 | 111.3° | 109.5° |
| C02 | C04 | H7 | 109.5° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.5° |
| C02 | C04 | H9 | 109.5° | 109.5° |
| C01 | C02 | C03 | 111.6° | 109.5° |
| C01 | C02 | O05 | 109.4° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C03 | C02 | O05 | 109.6° | 109.5° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.4° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | O05 | C06 | 122.1° | 117.0° |
| C18 | C19 | C14 | 122.2° | 120.0° |
| C19 | C18 | C17 | 120.3° | 120.0° |
| C19 | C18 | H19 | 119.8° | 120.0° |
| C18 | C19 | H20 | 118.9° | 120.0° |
| C19 | C14 | C13 | 121.1° | 120.0° |
| C19 | C14 | C15 | 116.0° | 120.0° |
| C14 | C19 | H20 | 118.9° | 120.0° |
| C18 | C17 | C16 | 118.9° | 120.0° |
| C18 | C17 | H18 | 120.6° | 120.0° |
| C17 | C18 | H19 | 119.9° | 120.0° |
| O05 | C06 | N08 | 121.2° | 120.0° |
| O05 | C06 | O07 | 121.9° | 120.0° |
| C37 | C36 | C35 | 120.3° | 121.0° |
| C36 | C37 | C38 | 120.1° | 121.0° |
| C37 | C36 | H34 | 119.8° | 119.5° |
| C36 | C37 | H35 | 119.9° | 119.5° |
| C36 | C35 | C34 | 121.5° | 119.6° |
| C36 | C35 | H33 | 119.3° | 120.2° |
| C35 | C36 | H34 | 119.9° | 119.5° |
| C14 | C13 | C12 | 121.7° | 109.5° |
| C13 | C14 | C15 | 122.9° | 120.0° |
| C14 | C13 | H14 | 106.3° | 109.5° |
| C14 | C13 | H15 | 106.4° | 109.5° |
| C13 | C12 | S11 | 108.9° | 109.5° |
| C13 | C12 | C20 | 116.6° | 109.5° |
| C13 | C12 | H13 | 108.5° | 109.5° |
| C12 | C13 | H14 | 106.3° | 109.5° |
| C12 | C13 | H15 | 106.3° | 109.5° |
| C14 | C15 | C16 | 122.3° | 120.0° |
| C14 | C15 | H16 | 118.9° | 120.0° |
| C37 | C38 | C39 | 119.3° | 119.6° |
| C38 | C37 | H35 | 119.9° | 119.5° |
| C37 | C38 | H36 | 120.3° | 120.2° |
| C10 | S11 | C12 | 111.0° | 103.0° |
| S11 | C10 | C09 | 110.6° | 109.5° |
| S11 | C10 | H11 | 109.2° | 109.4° |
| S11 | C10 | H12 | 109.2° | 109.5° |
| S11 | C12 | C20 | 107.8° | 109.5° |
| S11 | C12 | H13 | 105.5° | 109.4° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C17 | C16 | H17 | 119.8° | 120.0° |
| C16 | C17 | H18 | 120.6° | 120.0° |
| C10 | C09 | N08 | 109.1° | 109.5° |
| C10 | C09 | C32 | 113.3° | 109.5° |
| C10 | C09 | H10 | 107.4° | 109.5° |
| C09 | C10 | H11 | 109.2° | 109.5° |
| C09 | C10 | H12 | 109.2° | 109.5° |
| C35 | C34 | C39 | 117.0° | 119.3° |
| C35 | C34 | C33 | 122.4° | 121.3° |
| C34 | C35 | H33 | 119.2° | 120.2° |
| N08 | C06 | O07 | 116.9° | 120.0° |
| C06 | N08 | C09 | 124.4° | 120.0° |
| C06 | N08 | H40 | 117.8° | 120.0° |
| C12 | C20 | N22 | 125.1° | 120.0° |
| C12 | C20 | O21 | 118.3° | 120.0° |
| C20 | C12 | H13 | 109.0° | 109.5° |
| N08 | C09 | C32 | 111.1° | 109.5° |
| N08 | C09 | H10 | 108.7° | 109.5° |
| C09 | N08 | H40 | 117.8° | 120.0° |
| C09 | C32 | C33 | 121.1° | 109.5° |
| C32 | C09 | H10 | 107.1° | 109.5° |
| C09 | C32 | H31 | 106.5° | 109.5° |
| C09 | C32 | H32 | 106.5° | 109.5° |
| C16 | C15 | H16 | 118.9° | 120.0° |
| C15 | C16 | H17 | 119.8° | 120.0° |
| C38 | C39 | C34 | 121.8° | 119.4° |
| C38 | C39 | C40 | 117.3° | 121.3° |
| C39 | C38 | H36 | 120.4° | 120.2° |
| C27 | C28 | C29 | 118.6° | 119.2° |
| C28 | C27 | C26 | 121.5° | 118.4° |
| C28 | C27 | H27 | 119.2° | 120.8° |
| C27 | C28 | H28 | 120.7° | 120.4° |
| C28 | C29 | N30 | 121.5° | 120.8° |
| C29 | C28 | H28 | 120.7° | 120.4° |
| C28 | C29 | H29 | 119.2° | 119.6° |
| C39 | C34 | C33 | 120.6° | 119.4° |
| C34 | C39 | C40 | 120.9° | 119.3° |
| C34 | C33 | C32 | 126.9° | 120.2° |
| C34 | C33 | C42 | 115.9° | 119.6° |
| C20 | N22 | C23 | 125.7° | 120.0° |
| N22 | C20 | O21 | 116.6° | 120.0° |
| C20 | N22 | H41 | 117.2° | 120.0° |
| N22 | C23 | C24 | 114.8° | 109.5° |
| N22 | C23 | H21 | 108.1° | 109.5° |
| N22 | C23 | H22 | 108.1° | 109.5° |
| C23 | N22 | H41 | 117.2° | 120.0° |
| C27 | C26 | C25 | 123.9° | 120.4° |
| C27 | C26 | C31 | 115.1° | 119.2° |
| C26 | C27 | H27 | 119.3° | 120.8° |
| C39 | C40 | C41 | 118.9° | 119.7° |
| C39 | C40 | H37 | 120.6° | 120.1° |
| C29 | N30 | C31 | 118.5° | 121.7° |
| N30 | C29 | H29 | 119.2° | 119.6° |
| C32 | C33 | C42 | 117.1° | 120.2° |
| C33 | C32 | H31 | 106.5° | 109.5° |
| C33 | C32 | H32 | 106.5° | 109.4° |
| C33 | C42 | C41 | 123.7° | 121.0° |
| C33 | C42 | H39 | 118.1° | 119.5° |
| C23 | C24 | C25 | 116.2° | 109.5° |
| C24 | C23 | H21 | 108.1° | 109.5° |
| C24 | C23 | H22 | 108.1° | 109.5° |
| C23 | C24 | H23 | 107.8° | 109.5° |
| C23 | C24 | H24 | 107.8° | 109.5° |
| C24 | C25 | C26 | 115.0° | 109.5° |
| C25 | C24 | H23 | 107.7° | 109.5° |
| C25 | C24 | H24 | 107.8° | 109.5° |
| C24 | C25 | H25 | 108.1° | 109.5° |
| C24 | C25 | H26 | 108.1° | 109.5° |
| C25 | C26 | C31 | 121.0° | 120.5° |
| C26 | C25 | H25 | 108.1° | 109.5° |
| C26 | C25 | H26 | 108.1° | 109.5° |
| C26 | C31 | N30 | 124.8° | 120.8° |
| C26 | C31 | H30 | 117.6° | 119.6° |
| C40 | C41 | C42 | 120.1° | 121.0° |
| C41 | C40 | H37 | 120.5° | 120.2° |
| C40 | C41 | H38 | 120.0° | 119.5° |
| N30 | C31 | H30 | 117.6° | 119.6° |
| C42 | C41 | H38 | 120.0° | 119.5° |
| C41 | C42 | H39 | 118.2° | 119.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H6 | 109.4° | 109.4° |
| H5 | C03 | H6 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H7 | C04 | H9 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H23 | C24 | H24 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H31 | C32 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C02 | C01 | C03 | 117.4° | 120.0° |
| C04 | C02 | C01 | O05 | 121.1° | 120.0° |
| C04 | C02 | C03 | O05 | 120.9° | 120.0° |
| C04 | C02 | O05 | C06 | 170.2° | 179.4° |
| C04 | C02 | C01 | H1 | 180.0° | 173.5° |
| C04 | C02 | C01 | H2 | 60.0° | 66.6° |
| C04 | C02 | C01 | H3 | 60.0° | 53.4° |
| C04 | C02 | C03 | H4 | 180.0° | 60.0° |
| C04 | C02 | C03 | H5 | 60.0° | 60.0° |
| C04 | C02 | C03 | H6 | 60.0° | 180.0° |
| C02 | C04 | H7 | H8 | 120.0° | 120.0° |
| C02 | C04 | H7 | H9 | 120.0° | 120.0° |
| C02 | C04 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | O05 | 121.3° | 120.0° |
| C01 | C02 | O05 | C06 | 51.3° | 60.6° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 62.3° | 60.0° |
| C01 | C02 | C03 | H5 | 57.8° | 180.0° |
| C01 | C02 | C03 | H6 | 177.8° | 60.0° |
| C01 | C02 | C04 | H7 | 180.0° | 60.0° |
| C01 | C02 | C04 | H8 | 60.0° | 180.0° |
| C01 | C02 | C04 | H9 | 60.0° | 60.0° |
| C03 | C02 | O05 | C06 | 71.4° | 59.4° |
| C03 | C02 | C01 | H1 | 62.6° | 53.4° |
| C03 | C02 | C01 | H2 | 177.4° | 173.4° |
| C03 | C02 | C01 | H3 | 57.4° | 66.6° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 59.8° | 180.0° |
| C03 | C02 | C04 | H8 | 60.2° | 60.0° |
| C03 | C02 | C04 | H9 | 179.8° | 60.0° |
| C02 | O05 | C06 | N08 | 141.8° | 175.2° |
| C02 | O05 | C06 | O07 | 37.7° | 4.7° |
| O05 | C02 | C01 | H1 | 58.9° | 66.5° |
| O05 | C02 | C01 | H2 | 61.1° | 53.4° |
| O05 | C02 | C01 | H3 | 178.9° | 173.4° |
| O05 | C02 | C03 | H4 | 59.0° | 179.9° |
| O05 | C02 | C03 | H5 | 179.1° | 60.0° |
| O05 | C02 | C03 | H6 | 60.9° | 60.0° |
| O05 | C02 | C04 | H7 | 60.1° | 60.0° |
| O05 | C02 | C04 | H8 | 179.9° | 60.0° |
| O05 | C02 | C04 | H9 | 59.9° | 180.0° |
| C18 | C19 | C14 | H20 | 180.0° | 179.4° |
| C19 | C18 | C17 | H19 | 180.0° | 179.8° |
| C18 | C19 | C14 | C13 | 179.7° | 179.7° |
| C18 | C19 | C14 | C15 | 0.7° | 0.6° |
| C19 | C18 | C17 | C16 | 0.0° | 0.2° |
| C19 | C18 | C17 | H18 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 0.2° | 0.5° |
| C19 | C14 | C13 | C15 | 178.9° | 179.7° |
| C19 | C14 | C13 | C12 | 150.6° | 84.6° |
| C19 | C14 | C15 | C16 | 0.9° | 0.3° |
| C19 | C14 | C13 | H14 | 28.9° | 155.4° |
| C19 | C14 | C13 | H15 | 87.7° | 35.5° |
| C19 | C14 | C15 | H16 | 179.1° | 179.7° |
| C14 | C19 | C18 | H19 | 179.8° | 179.7° |
| C18 | C17 | C16 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H17 | 179.8° | 180.0° |
| C17 | C18 | C19 | H20 | 179.8° | 180.0° |
| O05 | C06 | N08 | O07 | 179.5° | 180.0° |
| O05 | C06 | N08 | C09 | 94.1° | 175.1° |
| O05 | C06 | N08 | H40 | 85.9° | 5.0° |
| C37 | C36 | C35 | H34 | 180.0° | 180.0° |
| C36 | C37 | C38 | H35 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.3° | 0.0° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C37 | C36 | C35 | H33 | 179.7° | 180.0° |
| C36 | C37 | C38 | H36 | 179.7° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C36 | C35 | C34 | H33 | 180.0° | 180.0° |
| C36 | C35 | C34 | C39 | 0.3° | 0.0° |
| C36 | C35 | C34 | C33 | 179.4° | 180.0° |
| C35 | C36 | C37 | H35 | 180.0° | 180.0° |
| C14 | C13 | C12 | H14 | 121.7° | 120.0° |
| C14 | C13 | C12 | H15 | 121.7° | 120.0° |
| C14 | C13 | C12 | S11 | 148.9° | 65.5° |
| C14 | C13 | C12 | C20 | 26.7° | 174.5° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C14 | C13 | C12 | H13 | 96.7° | 54.5° |
| C14 | C13 | H14 | H15 | 114.5° | 119.9° |
| C13 | C14 | C15 | H16 | 0.1° | 0.0° |
| C13 | C14 | C19 | H20 | 0.4° | 0.3° |
| C12 | C13 | C14 | C15 | 30.5° | 95.7° |
| C13 | C12 | S11 | C10 | 98.9° | 173.0° |
| C13 | C12 | S11 | C20 | 127.4° | 120.0° |
| C13 | C12 | S11 | H13 | 116.3° | 120.0° |
| C13 | C12 | C20 | H13 | 123.2° | 120.0° |
| C13 | C12 | C20 | N22 | 34.6° | 80.0° |
| C13 | C12 | C20 | O21 | 146.8° | 100.0° |
| C12 | C13 | H14 | H15 | 114.5° | 120.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H14 | 152.1° | 24.3° |
| C15 | C14 | C13 | H15 | 91.2° | 144.3° |
| C14 | C15 | C16 | H17 | 179.4° | 180.0° |
| C15 | C14 | C19 | H20 | 179.4° | 180.0° |
| C37 | C38 | C39 | H36 | 180.0° | 179.9° |
| C37 | C38 | C39 | C34 | 0.2° | 0.0° |
| C37 | C38 | C39 | C40 | 179.8° | 180.0° |
| C38 | C37 | C36 | H34 | 180.0° | 180.0° |
| S11 | C10 | C09 | H11 | 120.2° | 119.9° |
| S11 | C10 | C09 | H12 | 120.2° | 120.1° |
| C10 | S11 | C12 | C20 | 28.4° | 66.9° |
| S11 | C10 | C09 | N08 | 10.7° | 61.9° |
| S11 | C10 | C09 | C32 | 113.6° | 178.1° |
| S11 | C10 | C09 | H10 | 128.3° | 58.1° |
| S11 | C10 | H11 | H12 | 119.5° | 120.0° |
| C10 | S11 | C12 | H13 | 144.8° | 53.1° |
| C12 | S11 | C10 | C09 | 128.9° | 174.9° |
| S11 | C12 | C20 | H13 | 114.0° | 119.9° |
| S11 | C12 | C20 | N22 | 88.2° | 160.0° |
| S11 | C12 | C20 | O21 | 90.4° | 20.0° |
| C12 | S11 | C10 | H11 | 8.8° | 65.1° |
| C12 | S11 | C10 | H12 | 110.9° | 54.9° |
| S11 | C12 | C13 | H14 | 27.3° | 54.5° |
| S11 | C12 | C13 | H15 | 89.4° | 174.5° |
| C17 | C16 | C15 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | H16 | 179.3° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| C10 | C09 | N08 | C06 | 132.4° | 118.3° |
| C10 | C09 | N08 | C32 | 125.6° | 120.0° |
| C10 | C09 | N08 | H10 | 116.8° | 120.0° |
| C10 | C09 | C32 | H10 | 118.2° | 120.0° |
| C10 | C09 | C32 | C33 | 50.9° | 174.4° |
| C09 | C10 | H11 | H12 | 119.5° | 120.0° |
| C10 | C09 | C32 | H31 | 172.5° | 65.6° |
| C10 | C09 | C32 | H32 | 70.7° | 54.4° |
| C10 | C09 | N08 | H40 | 47.5° | 61.6° |
| C35 | C34 | C39 | C38 | 0.1° | 0.0° |
| C35 | C34 | C39 | C33 | 179.7° | 180.0° |
| C35 | C34 | C39 | C40 | 179.9° | 180.0° |
| C35 | C34 | C33 | C32 | 0.9° | 0.0° |
| C35 | C34 | C33 | C42 | 179.4° | 179.7° |
| C34 | C35 | C36 | H34 | 179.7° | 180.0° |
| C06 | N08 | C09 | H40 | 180.0° | 180.0° |
| C06 | N08 | C09 | C32 | 102.0° | 121.7° |
| C06 | N08 | C09 | H10 | 15.6° | 1.6° |
| O07 | C06 | N08 | C09 | 85.4° | 4.9° |
| O07 | C06 | N08 | H40 | 94.6° | 175.1° |
| C12 | C20 | N22 | O21 | 178.7° | 180.0° |
| C12 | C20 | N22 | C23 | 179.4° | 180.0° |
| C20 | C12 | C13 | H14 | 95.0° | 65.5° |
| C20 | C12 | C13 | H15 | 148.4° | 54.5° |
| C12 | C20 | N22 | H41 | 0.6° | 0.0° |
| N08 | C09 | C32 | H10 | 118.6° | 120.0° |
| N08 | C09 | C32 | C33 | 174.1° | 65.6° |
| N08 | C09 | C10 | H11 | 130.8° | 178.2° |
| N08 | C09 | C10 | H12 | 109.5° | 58.2° |
| N08 | C09 | C32 | H31 | 64.3° | 54.4° |
| N08 | C09 | C32 | H32 | 52.5° | 174.4° |
| C09 | C32 | C33 | C34 | 40.0° | 88.6° |
| C09 | C32 | C33 | H31 | 121.6° | 120.0° |
| C09 | C32 | C33 | H32 | 121.6° | 120.0° |
| C09 | C32 | C33 | C42 | 141.5° | 91.7° |
| C32 | C09 | C10 | H11 | 6.5° | 58.2° |
| C32 | C09 | C10 | H12 | 126.2° | 61.8° |
| C09 | C32 | H31 | H32 | 114.8° | 120.0° |
| C32 | C09 | N08 | H40 | 78.0° | 58.3° |
| C15 | C16 | C17 | H18 | 179.8° | 180.0° |
| C38 | C39 | C34 | C40 | 180.0° | 180.0° |
| C38 | C39 | C34 | C33 | 179.7° | 180.0° |
| C38 | C39 | C40 | C41 | 179.9° | 180.0° |
| C39 | C38 | C37 | H35 | 179.7° | 180.0° |
| C38 | C39 | C40 | H37 | 0.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C27 | C28 | C29 | N30 | 0.1° | 0.0° |
| C28 | C27 | C26 | C25 | 179.9° | 180.0° |
| C28 | C27 | C26 | C31 | 0.1° | 0.3° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C29 | N30 | H29 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 0.0° | 0.3° |
| C29 | C28 | C27 | H27 | 179.9° | 179.9° |
| C39 | C34 | C33 | C32 | 179.4° | 180.0° |
| C39 | C34 | C33 | C42 | 0.9° | 0.3° |
| C34 | C39 | C40 | C41 | 0.0° | 0.0° |
| C39 | C34 | C35 | H33 | 179.7° | 180.0° |
| C34 | C39 | C38 | H36 | 179.8° | 179.9° |
| C34 | C39 | C40 | H37 | 180.0° | 180.0° |
| C33 | C34 | C39 | C40 | 0.4° | 0.0° |
| C34 | C33 | C32 | C42 | 178.5° | 179.7° |
| C34 | C33 | C42 | C41 | 1.1° | 0.6° |
| C34 | C33 | C32 | H31 | 81.6° | 31.4° |
| C34 | C33 | C32 | H32 | 161.6° | 151.4° |
| C33 | C34 | C35 | H33 | 0.6° | 0.0° |
| C34 | C33 | C42 | H39 | 178.9° | 179.7° |
| C20 | N22 | C23 | H41 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 138.8° | 180.0° |
| N22 | C20 | C12 | H13 | 157.8° | 40.0° |
| C20 | N22 | C23 | H21 | 100.4° | 60.0° |
| C20 | N22 | C23 | H22 | 18.1° | 60.0° |
| C23 | N22 | C20 | O21 | 0.7° | 0.1° |
| N22 | C23 | C24 | H21 | 120.8° | 120.0° |
| N22 | C23 | C24 | H22 | 120.8° | 120.0° |
| N22 | C23 | C24 | C25 | 170.2° | 180.0° |
| N22 | C23 | H21 | H22 | 117.6° | 120.0° |
| N22 | C23 | C24 | H23 | 68.8° | 60.0° |
| N22 | C23 | C24 | H24 | 49.3° | 60.0° |
| C27 | C26 | C25 | C24 | 18.8° | 89.7° |
| C27 | C26 | C25 | C31 | 179.8° | 179.7° |
| C27 | C26 | C31 | N30 | 0.2° | 0.6° |
| C27 | C26 | C25 | H25 | 139.6° | 150.3° |
| C27 | C26 | C25 | H26 | 102.0° | 30.3° |
| C26 | C27 | C28 | H28 | 179.9° | 179.9° |
| C27 | C26 | C31 | H30 | 179.7° | 179.7° |
| O21 | C20 | C12 | H13 | 23.6° | 140.0° |
| O21 | C20 | N22 | H41 | 179.3° | 180.0° |
| C39 | C40 | C41 | H37 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 0.1° | 0.2° |
| C40 | C39 | C38 | H36 | 0.2° | 0.1° |
| C39 | C40 | C41 | H38 | 179.9° | 180.0° |
| C29 | N30 | C31 | C26 | 0.2° | 0.6° |
| N30 | C29 | C28 | H28 | 179.9° | 179.9° |
| C29 | N30 | C31 | H30 | 179.8° | 179.7° |
| C32 | C33 | C42 | C41 | 179.7° | 179.7° |
| C33 | C32 | C09 | H10 | 67.3° | 54.4° |
| C33 | C32 | H31 | H32 | 114.7° | 120.0° |
| C32 | C33 | C42 | H39 | 0.3° | 0.0° |
| C33 | C42 | C41 | C40 | 0.7° | 0.5° |
| C33 | C42 | C41 | H39 | 180.0° | 179.8° |
| C42 | C33 | C32 | H31 | 96.8° | 148.3° |
| C42 | C33 | C32 | H32 | 19.9° | 28.3° |
| C33 | C42 | C41 | H38 | 179.3° | 179.7° |
| C23 | C24 | C25 | H23 | 121.0° | 120.0° |
| C23 | C24 | C25 | H24 | 121.0° | 120.0° |
| C23 | C24 | C25 | C26 | 86.1° | 180.0° |
| C24 | C23 | H21 | H22 | 117.6° | 120.0° |
| C23 | C24 | H23 | H24 | 117.0° | 120.0° |
| C23 | C24 | C25 | H25 | 34.7° | 60.0° |
| C23 | C24 | C25 | H26 | 153.1° | 60.0° |
| C24 | C23 | N22 | H41 | 41.2° | 0.0° |
| C24 | C25 | C26 | H25 | 120.8° | 120.0° |
| C24 | C25 | C26 | H26 | 120.8° | 120.1° |
| C24 | C25 | C26 | C31 | 161.3° | 90.0° |
| C25 | C24 | C23 | H21 | 49.4° | 59.9° |
| C25 | C24 | C23 | H22 | 69.0° | 60.0° |
| C25 | C24 | H23 | H24 | 116.9° | 120.0° |
| C24 | C25 | H25 | H26 | 117.5° | 120.0° |
| C25 | C26 | C31 | N30 | 179.9° | 179.7° |
| C26 | C25 | C24 | H23 | 153.0° | 60.0° |
| C26 | C25 | C24 | H24 | 34.9° | 59.9° |
| C26 | C25 | H25 | H26 | 117.5° | 120.0° |
| C25 | C26 | C27 | H27 | 0.1° | 0.0° |
| C25 | C26 | C31 | H30 | 0.1° | 0.0° |
| C26 | C31 | N30 | H30 | 180.0° | 179.7° |
| C31 | C26 | C25 | H25 | 40.5° | 30.0° |
| C31 | C26 | C25 | H26 | 77.9° | 150.0° |
| C31 | C26 | C27 | H27 | 179.9° | 179.8° |
| C40 | C41 | C42 | H38 | 180.0° | 179.8° |
| C40 | C41 | C42 | H39 | 179.3° | 179.7° |
| C31 | N30 | C29 | H29 | 180.0° | 179.6° |
| C42 | C41 | C40 | H37 | 179.9° | 179.7° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 119.9° |
| H7 | C04 | H8 | H9 | 120.0° | 119.9° |
| H10 | C09 | C10 | H11 | 111.5° | 61.9° |
| H10 | C09 | C10 | H12 | 8.2° | 178.1° |
| H10 | C09 | C32 | H31 | 54.3° | 174.4° |
| H10 | C09 | C32 | H32 | 171.1° | 65.6° |
| H10 | C09 | N08 | H40 | 164.3° | 178.4° |
| H13 | C12 | C13 | H14 | 141.6° | 174.5° |
| H13 | C12 | C13 | H15 | 25.0° | 65.6° |
| H16 | C15 | C16 | H17 | 0.6° | 0.1° |
| H17 | C16 | C17 | H18 | 0.1° | 0.0° |
| H18 | C17 | C18 | H19 | 0.1° | 0.1° |
| H19 | C18 | C19 | H20 | 0.2° | 0.2° |
| H21 | C23 | C24 | H23 | 170.4° | 60.0° |
| H21 | C23 | C24 | H24 | 71.5° | 180.0° |
| H21 | C23 | N22 | H41 | 79.6° | 120.0° |
| H22 | C23 | C24 | H23 | 52.0° | 180.0° |
| H22 | C23 | C24 | H24 | 170.0° | 60.0° |
| H22 | C23 | N22 | H41 | 162.0° | 120.0° |
| H23 | C24 | C25 | H25 | 86.2° | 180.0° |
| H23 | C24 | C25 | H26 | 32.2° | 60.0° |
| H24 | C24 | C25 | H25 | 155.7° | 60.0° |
| H24 | C24 | C25 | H26 | 85.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| H28 | C28 | C29 | H29 | 0.2° | 0.2° |
| H33 | C35 | C36 | H34 | 0.3° | 0.0° |
| H34 | C36 | C37 | H35 | 0.0° | 0.0° |
| H35 | C37 | C38 | H36 | 0.3° | 0.1° |
| H37 | C40 | C41 | H38 | 0.1° | 0.1° |
| H38 | C41 | C42 | H39 | 0.7° | 0.1° |
