A1LZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | N20 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C03 | C07 | sing | 1.48Å | 1.52Å | |
| C04 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C04 | C06 | sing | 1.41Å | 1.44Å | Aromatic |
| C05 | N20 | doub | 1.32Å | 1.35Å | Aromatic |
| C05 | N22 | sing | 1.37Å | 1.33Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.53Å | |
| C06 | N21 | doub | 1.30Å | 1.30Å | Aromatic |
| C07 | O23 | doub | 1.21Å | 1.27Å | |
| C07 | O24 | sing | 1.35Å | 1.25Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | F19 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | N22 | sing | 1.40Å | 1.43Å | |
| N21 | N22 | sing | 1.40Å | 1.33Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.38Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C29 | O30 | sing | 1.35Å | 1.30Å | Aromatic |
| O30 | C31 | sing | 1.34Å | 1.31Å | Aromatic |
| C31 | N32 | doub | 1.31Å | 1.32Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.42Å | Aromatic |
| C28 | N32 | sing | 1.34Å | 1.37Å | Aromatic |
| C31 | C33 | sing | 1.48Å | 1.51Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.38Å | Aromatic |
| C33 | C38 | doub | 1.40Å | 1.38Å | Aromatic |
| C29 | C39 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C01 | O25 | sing | 1.36Å | 1.40Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| O24 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | N20 | 124.4° | 121.5° |
| C01 | C02 | C03 | 118.7° | 119.4° |
| C02 | C01 | O25 | 115.9° | 119.3° |
| C01 | C02 | H1 | 120.6° | 120.4° |
| C01 | N20 | C05 | 118.0° | 121.9° |
| N20 | C01 | O25 | 119.7° | 119.2° |
| C02 | C03 | C04 | 117.4° | 117.8° |
| C02 | C03 | C07 | 119.3° | 121.1° |
| C03 | C02 | H1 | 120.7° | 120.3° |
| C04 | C03 | C07 | 123.2° | 121.1° |
| C03 | C04 | C05 | 119.9° | 119.1° |
| C03 | C04 | C06 | 136.4° | 133.8° |
| C03 | C07 | O23 | 117.6° | 120.0° |
| C03 | C07 | O24 | 121.9° | 120.0° |
| C05 | C04 | C06 | 103.7° | 107.1° |
| C04 | C05 | N20 | 121.7° | 120.3° |
| C04 | C05 | N22 | 108.4° | 106.3° |
| C04 | C06 | C08 | 129.9° | 125.7° |
| C04 | C06 | N21 | 107.6° | 108.6° |
| N20 | C05 | N22 | 129.9° | 133.4° |
| C05 | N22 | C18 | 129.3° | 125.9° |
| C05 | N22 | N21 | 109.2° | 108.2° |
| C08 | C06 | N21 | 122.5° | 125.7° |
| C06 | C08 | C09 | 106.4° | 109.5° |
| C06 | C08 | C10 | 108.8° | 109.4° |
| C06 | C08 | H2 | 109.1° | 109.5° |
| C06 | N21 | N22 | 111.1° | 109.7° |
| O23 | C07 | O24 | 120.5° | 120.0° |
| C07 | O24 | H29 | 109.5° | 117.0° |
| C09 | C08 | C10 | 114.4° | 109.4° |
| C08 | C09 | C11 | 111.9° | 109.4° |
| C09 | C08 | H2 | 109.1° | 109.5° |
| C08 | C09 | H3 | 108.8° | 109.4° |
| C08 | C09 | H4 | 108.9° | 109.4° |
| C08 | C10 | C12 | 112.8° | 109.4° |
| C10 | C08 | H2 | 109.0° | 109.5° |
| C08 | C10 | H5 | 108.6° | 109.5° |
| C08 | C10 | H6 | 108.6° | 109.5° |
| C11 | C09 | H3 | 108.9° | 109.5° |
| C11 | C09 | H4 | 108.9° | 109.5° |
| C09 | C11 | H7 | 109.5° | 109.5° |
| C09 | C11 | H8 | 109.5° | 109.5° |
| C09 | C11 | H9 | 109.5° | 109.4° |
| C12 | C10 | H5 | 108.6° | 109.5° |
| C12 | C10 | H6 | 108.6° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.5° |
| C10 | C12 | H11 | 109.5° | 109.4° |
| C10 | C12 | H12 | 109.5° | 109.5° |
| C14 | C13 | C18 | 119.2° | 119.9° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C14 | C13 | H13 | 120.4° | 120.0° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C13 | C18 | C17 | 120.0° | 120.0° |
| C13 | C18 | N22 | 123.5° | 120.0° |
| C18 | C13 | H13 | 120.3° | 120.1° |
| C14 | C15 | C16 | 120.3° | 120.1° |
| C14 | C15 | F19 | 117.6° | 119.9° |
| C15 | C14 | H14 | 119.6° | 120.0° |
| C16 | C15 | F19 | 122.0° | 120.0° |
| C15 | C16 | C17 | 119.1° | 120.0° |
| C15 | C16 | H15 | 120.5° | 120.0° |
| C16 | C17 | C18 | 120.5° | 119.9° |
| C17 | C16 | H15 | 120.4° | 120.0° |
| C16 | C17 | H16 | 119.7° | 120.0° |
| C17 | C18 | N22 | 116.5° | 120.0° |
| C18 | C17 | H16 | 119.8° | 120.1° |
| C18 | N22 | N21 | 121.4° | 125.9° |
| O25 | C26 | C27 | 106.7° | 109.5° |
| C26 | O25 | C01 | 114.3° | 117.0° |
| O25 | C26 | H17 | 110.2° | 109.5° |
| O25 | C26 | H18 | 110.2° | 109.5° |
| C27 | C28 | C29 | 130.7° | 126.1° |
| C27 | C28 | N32 | 124.3° | 126.1° |
| C28 | C27 | C26 | 114.8° | 109.5° |
| C28 | C27 | H19 | 108.1° | 109.5° |
| C28 | C27 | H20 | 108.1° | 109.4° |
| C29 | O30 | C31 | 109.9° | 107.6° |
| O30 | C29 | C28 | 107.2° | 107.3° |
| O30 | C29 | C39 | 121.1° | 126.3° |
| O30 | C31 | N32 | 110.3° | 108.6° |
| O30 | C31 | C33 | 121.3° | 125.7° |
| C31 | N32 | C28 | 107.5° | 108.7° |
| N32 | C31 | C33 | 128.3° | 125.7° |
| C29 | C28 | N32 | 105.0° | 107.8° |
| C28 | C29 | C39 | 131.7° | 126.4° |
| C31 | C33 | C34 | 118.7° | 120.1° |
| C31 | C33 | C38 | 120.6° | 120.2° |
| C34 | C35 | C36 | 119.3° | 120.1° |
| C35 | C34 | C33 | 120.1° | 119.8° |
| C35 | C34 | H21 | 120.0° | 120.1° |
| C34 | C35 | H22 | 120.4° | 119.9° |
| C35 | C36 | C37 | 120.0° | 120.3° |
| C36 | C35 | H22 | 120.4° | 119.9° |
| C35 | C36 | H23 | 120.0° | 119.9° |
| C36 | C37 | C38 | 120.8° | 120.1° |
| C37 | C36 | H23 | 120.0° | 119.8° |
| C36 | C37 | H24 | 119.6° | 119.9° |
| C37 | C38 | C33 | 119.1° | 119.9° |
| C38 | C37 | H24 | 119.6° | 119.9° |
| C37 | C38 | H25 | 120.4° | 120.1° |
| C34 | C33 | C38 | 120.7° | 119.7° |
| C33 | C34 | H21 | 119.9° | 120.1° |
| C33 | C38 | H25 | 120.4° | 120.0° |
| C29 | C39 | H26 | 109.5° | 109.5° |
| C29 | C39 | H27 | 109.5° | 109.5° |
| C29 | C39 | H28 | 109.4° | 109.4° |
| C27 | C26 | H17 | 110.1° | 109.4° |
| C27 | C26 | H18 | 110.2° | 109.5° |
| C26 | C27 | H19 | 108.2° | 109.5° |
| C26 | C27 | H20 | 108.1° | 109.5° |
| H3 | C09 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H10 | C12 | H12 | 109.4° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.4° | 109.5° |
| H26 | C39 | H27 | 109.5° | 109.5° |
| H26 | C39 | H28 | 109.4° | 109.5° |
| H27 | C39 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | N20 | O25 | 177.9° | 179.8° |
| C01 | C02 | C03 | H1 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.1° |
| C01 | C02 | C03 | C07 | 177.1° | 180.0° |
| C02 | C01 | N20 | C05 | 1.1° | 0.0° |
| C02 | C01 | O25 | C26 | 171.5° | 180.0° |
| N20 | C01 | C02 | C03 | 0.6° | 0.0° |
| C01 | N20 | C05 | C04 | 1.0° | 0.0° |
| C01 | N20 | C05 | N22 | 179.8° | 180.0° |
| N20 | C01 | O25 | C26 | 10.4° | 0.3° |
| N20 | C01 | C02 | H1 | 179.4° | 180.0° |
| C02 | C03 | C04 | C07 | 176.8° | 179.9° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | C06 | 179.0° | 180.0° |
| C02 | C03 | C07 | O23 | 53.5° | 124.1° |
| C02 | C03 | C07 | O24 | 128.4° | 55.9° |
| C03 | C02 | C01 | O25 | 178.6° | 179.7° |
| C03 | C04 | C05 | C06 | 179.5° | 180.0° |
| C03 | C04 | C05 | N20 | 0.3° | 0.0° |
| C03 | C04 | C05 | N22 | 179.3° | 180.0° |
| C03 | C04 | C06 | C08 | 1.1° | 0.1° |
| C03 | C04 | C06 | N21 | 179.8° | 180.0° |
| C04 | C03 | C07 | O23 | 123.2° | 56.0° |
| C04 | C03 | C07 | O24 | 54.8° | 124.0° |
| C04 | C03 | C02 | H1 | 179.9° | 180.0° |
| C07 | C03 | C04 | C05 | 177.1° | 180.0° |
| C07 | C03 | C04 | C06 | 2.2° | 0.0° |
| C03 | C07 | O23 | O24 | 178.1° | 180.0° |
| C07 | C03 | C02 | H1 | 2.9° | 0.0° |
| C03 | C07 | O24 | H29 | 178.0° | 180.0° |
| C04 | C05 | N20 | N22 | 178.8° | 180.0° |
| C05 | C04 | C06 | C08 | 179.6° | 179.9° |
| C05 | C04 | C06 | N21 | 0.4° | 0.0° |
| C04 | C05 | N22 | C18 | 177.3° | 180.0° |
| C04 | C05 | N22 | N21 | 1.5° | 0.0° |
| C06 | C04 | C05 | N20 | 179.8° | 180.0° |
| C06 | C04 | C05 | N22 | 1.2° | 0.0° |
| C04 | C06 | C08 | N21 | 179.1° | 179.9° |
| C04 | C06 | C08 | C09 | 79.7° | 119.8° |
| C04 | C06 | C08 | C10 | 156.7° | 120.2° |
| C04 | C06 | N21 | N22 | 0.5° | 0.0° |
| C04 | C06 | C08 | H2 | 37.9° | 0.2° |
| N20 | C05 | N22 | C18 | 3.7° | 0.0° |
| N20 | C05 | N22 | N21 | 179.5° | 180.0° |
| C05 | N20 | C01 | O25 | 179.1° | 179.8° |
| C05 | N22 | N21 | C06 | 1.3° | 0.0° |
| C05 | N22 | C18 | C13 | 38.3° | 145.0° |
| C05 | N22 | C18 | C17 | 139.2° | 35.0° |
| C05 | N22 | C18 | N21 | 175.4° | 180.0° |
| C06 | C08 | C09 | C10 | 120.1° | 120.0° |
| C06 | C08 | C09 | H2 | 117.6° | 120.0° |
| C06 | C08 | C10 | H2 | 118.9° | 120.0° |
| C06 | C08 | C09 | C11 | 173.9° | 65.1° |
| C06 | C08 | C10 | C12 | 70.5° | 66.2° |
| C08 | C06 | N21 | N22 | 178.7° | 180.0° |
| C06 | C08 | C09 | H3 | 65.7° | 54.9° |
| C06 | C08 | C09 | H4 | 53.6° | 174.9° |
| C06 | C08 | C10 | H5 | 50.0° | 173.8° |
| C06 | C08 | C10 | H6 | 169.0° | 53.7° |
| N21 | C06 | C08 | C09 | 101.3° | 60.1° |
| N21 | C06 | C08 | C10 | 22.4° | 59.9° |
| C06 | N21 | N22 | C18 | 177.5° | 180.0° |
| N21 | C06 | C08 | H2 | 141.2° | 179.9° |
| O23 | C07 | O24 | H29 | 0.0° | 0.0° |
| C09 | C08 | C10 | H2 | 122.4° | 120.0° |
| C08 | C09 | C11 | H3 | 120.4° | 120.0° |
| C08 | C09 | C11 | H4 | 120.4° | 119.9° |
| C09 | C08 | C10 | C12 | 170.8° | 173.8° |
| C08 | C09 | H3 | H4 | 118.9° | 119.9° |
| C09 | C08 | C10 | H5 | 68.8° | 53.8° |
| C09 | C08 | C10 | H6 | 50.2° | 66.3° |
| C08 | C09 | C11 | H7 | 180.0° | 55.3° |
| C08 | C09 | C11 | H8 | 60.0° | 64.7° |
| C08 | C09 | C11 | H9 | 60.0° | 175.2° |
| C10 | C08 | C09 | C11 | 66.0° | 174.9° |
| C08 | C10 | C12 | H5 | 120.5° | 120.0° |
| C08 | C10 | C12 | H6 | 120.5° | 119.9° |
| C10 | C08 | C09 | H3 | 54.4° | 65.1° |
| C10 | C08 | C09 | H4 | 173.7° | 54.9° |
| C08 | C10 | H5 | H6 | 118.5° | 120.0° |
| C08 | C10 | C12 | H10 | 180.0° | 64.2° |
| C08 | C10 | C12 | H11 | 60.0° | 175.8° |
| C08 | C10 | C12 | H12 | 60.0° | 55.8° |
| C11 | C09 | C08 | H2 | 56.4° | 54.9° |
| C11 | C09 | H3 | H4 | 118.9° | 120.1° |
| C09 | C11 | H7 | H8 | 120.0° | 120.0° |
| C09 | C11 | H7 | H9 | 120.0° | 119.9° |
| C09 | C11 | H8 | H9 | 120.0° | 120.0° |
| C12 | C10 | C08 | H2 | 48.4° | 53.8° |
| C12 | C10 | H5 | H6 | 118.5° | 120.0° |
| C10 | C12 | H10 | H11 | 120.0° | 120.0° |
| C10 | C12 | H10 | H12 | 120.0° | 120.0° |
| C10 | C12 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C18 | H13 | 180.0° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | F19 | 179.8° | 180.0° |
| C14 | C13 | C18 | C17 | 2.0° | 0.0° |
| C14 | C13 | C18 | N22 | 179.4° | 180.0° |
| C18 | C13 | C14 | C15 | 1.4° | 0.0° |
| C13 | C18 | C17 | C16 | 1.4° | 0.0° |
| C13 | C18 | C17 | N22 | 177.6° | 180.0° |
| C13 | C18 | N22 | N21 | 146.3° | 35.0° |
| C18 | C13 | C14 | H14 | 178.6° | 180.0° |
| C13 | C18 | C17 | H16 | 178.6° | 179.9° |
| C14 | C15 | C16 | F19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C15 | C14 | C13 | H13 | 178.6° | 179.7° |
| C14 | C15 | C16 | H15 | 179.5° | 180.0° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C14 | H14 | 179.8° | 180.0° |
| C15 | C16 | C17 | H16 | 179.9° | 179.9° |
| F19 | C15 | C16 | C17 | 179.6° | 180.0° |
| F19 | C15 | C14 | H14 | 0.2° | 0.0° |
| F19 | C15 | C16 | H15 | 0.4° | 0.0° |
| C16 | C17 | C18 | H16 | 180.0° | 179.9° |
| C16 | C17 | C18 | N22 | 179.0° | 180.0° |
| C17 | C18 | N22 | N21 | 36.2° | 145.0° |
| C17 | C18 | C13 | H13 | 178.0° | 179.7° |
| C18 | C17 | C16 | H15 | 179.9° | 180.0° |
| N22 | C18 | C13 | H13 | 0.6° | 0.3° |
| N22 | C18 | C17 | H16 | 1.0° | 0.1° |
| O25 | C26 | C27 | C28 | 152.3° | 180.0° |
| O25 | C26 | C27 | H17 | 119.6° | 120.0° |
| O25 | C26 | C27 | H18 | 119.6° | 120.0° |
| O25 | C26 | H17 | H18 | 121.3° | 120.0° |
| O25 | C26 | C27 | H19 | 31.5° | 60.0° |
| O25 | C26 | C27 | H20 | 86.9° | 60.0° |
| C27 | C28 | C29 | O30 | 178.8° | 180.0° |
| C27 | C28 | N32 | C31 | 179.1° | 180.0° |
| C27 | C28 | C29 | N32 | 179.6° | 179.8° |
| C27 | C28 | C29 | C39 | 0.1° | 0.0° |
| C28 | C27 | C26 | H19 | 120.8° | 120.0° |
| C28 | C27 | C26 | H20 | 120.8° | 120.0° |
| C28 | C27 | C26 | H17 | 32.7° | 60.0° |
| C28 | C27 | C26 | H18 | 88.1° | 60.0° |
| C28 | C27 | H19 | H20 | 117.5° | 119.9° |
| C29 | O30 | C31 | N32 | 0.4° | 0.0° |
| O30 | C29 | C28 | C39 | 178.7° | 180.0° |
| O30 | C29 | C28 | N32 | 0.8° | 0.3° |
| C29 | O30 | C31 | C33 | 179.1° | 179.8° |
| O30 | C29 | C39 | H26 | 0.0° | 90.0° |
| O30 | C29 | C39 | H27 | 120.0° | 30.0° |
| O30 | C29 | C39 | H28 | 120.0° | 150.0° |
| O30 | C31 | N32 | C33 | 179.5° | 179.9° |
| C31 | O30 | C29 | C28 | 0.7° | 0.2° |
| O30 | C31 | N32 | C28 | 0.1° | 0.1° |
| O30 | C31 | C33 | C34 | 10.6° | 0.2° |
| O30 | C31 | C33 | C38 | 168.5° | 179.5° |
| C31 | O30 | C29 | C39 | 179.6° | 179.8° |
| C31 | N32 | C28 | C29 | 0.6° | 0.3° |
| N32 | C31 | C33 | C34 | 169.9° | 180.0° |
| N32 | C31 | C33 | C38 | 11.0° | 0.3° |
| C29 | C28 | C27 | C26 | 25.0° | 90.0° |
| C29 | C28 | C27 | H19 | 145.8° | 30.0° |
| C29 | C28 | C27 | H20 | 95.8° | 150.0° |
| C28 | C29 | C39 | H26 | 178.6° | 90.0° |
| C28 | C29 | C39 | H27 | 58.6° | 150.0° |
| C28 | C29 | C39 | H28 | 61.4° | 30.0° |
| C28 | N32 | C31 | C33 | 179.6° | 180.0° |
| N32 | C28 | C29 | C39 | 179.5° | 179.7° |
| N32 | C28 | C27 | C26 | 154.5° | 90.3° |
| N32 | C28 | C27 | H19 | 33.7° | 149.7° |
| N32 | C28 | C27 | H20 | 84.7° | 29.8° |
| C31 | C33 | C34 | C35 | 179.6° | 180.0° |
| C31 | C33 | C38 | C37 | 179.6° | 179.7° |
| C31 | C33 | C34 | C38 | 179.1° | 179.7° |
| C31 | C33 | C34 | H21 | 0.4° | 0.0° |
| C31 | C33 | C38 | H25 | 0.4° | 0.1° |
| C34 | C35 | C36 | H22 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.0° |
| C35 | C34 | C33 | H21 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 0.5° | 0.3° |
| C34 | C35 | C36 | H23 | 180.0° | 180.0° |
| C35 | C36 | C37 | H23 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.3° |
| C36 | C35 | C34 | C33 | 0.3° | 0.0° |
| C36 | C35 | C34 | H21 | 179.7° | 179.9° |
| C35 | C36 | C37 | H24 | 179.9° | 180.0° |
| C36 | C37 | C38 | H24 | 180.0° | 179.6° |
| C36 | C37 | C38 | C33 | 0.1° | 0.7° |
| C37 | C36 | C35 | H22 | 180.0° | 180.0° |
| C36 | C37 | C38 | H25 | 179.8° | 179.8° |
| C37 | C38 | C33 | C34 | 0.5° | 0.6° |
| C37 | C38 | C33 | H25 | 180.0° | 179.6° |
| C38 | C37 | C36 | H23 | 179.9° | 179.7° |
| C33 | C34 | C35 | H22 | 179.7° | 180.0° |
| C34 | C33 | C38 | H25 | 179.5° | 179.8° |
| C38 | C33 | C34 | H21 | 179.5° | 179.7° |
| C33 | C38 | C37 | H24 | 179.9° | 179.7° |
| C29 | C39 | H26 | H27 | 120.0° | 120.0° |
| C29 | C39 | H26 | H28 | 120.0° | 120.0° |
| C29 | C39 | H27 | H28 | 120.0° | 119.9° |
| C27 | C26 | O25 | C01 | 116.0° | 180.0° |
| C27 | C26 | H17 | H18 | 121.3° | 120.0° |
| C26 | C27 | H19 | H20 | 117.6° | 120.0° |
| O25 | C01 | C02 | H1 | 1.4° | 0.2° |
| C01 | O25 | C26 | H17 | 3.6° | 60.0° |
| C01 | O25 | C26 | H18 | 124.5° | 60.0° |
| H2 | C08 | C09 | H3 | 176.7° | 174.9° |
| H2 | C08 | C09 | H4 | 64.0° | 65.1° |
| H2 | C08 | C10 | H5 | 168.9° | 66.2° |
| H2 | C08 | C10 | H6 | 72.1° | 173.7° |
| H3 | C09 | C11 | H7 | 59.7° | 175.3° |
| H3 | C09 | C11 | H8 | 179.7° | 55.3° |
| H3 | C09 | C11 | H9 | 60.4° | 64.8° |
| H4 | C09 | C11 | H7 | 59.6° | 64.6° |
| H4 | C09 | C11 | H8 | 60.4° | 175.4° |
| H4 | C09 | C11 | H9 | 179.7° | 55.3° |
| H5 | C10 | C12 | H10 | 59.5° | 55.8° |
| H5 | C10 | C12 | H11 | 179.5° | 64.2° |
| H5 | C10 | C12 | H12 | 60.5° | 175.8° |
| H6 | C10 | C12 | H10 | 59.5° | 175.9° |
| H6 | C10 | C12 | H11 | 60.5° | 55.9° |
| H6 | C10 | C12 | H12 | 179.5° | 64.1° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H10 | C12 | H11 | H12 | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 1.4° | 0.3° |
| H15 | C16 | C17 | H16 | 0.2° | 0.1° |
| H17 | C26 | C27 | H19 | 88.1° | 60.0° |
| H17 | C26 | C27 | H20 | 153.5° | 180.0° |
| H18 | C26 | C27 | H19 | 151.1° | NaN° |
| H18 | C26 | C27 | H20 | 32.6° | 60.0° |
| H21 | C34 | C35 | H22 | 0.3° | 0.0° |
| H22 | C35 | C36 | H23 | 0.0° | 0.0° |
| H23 | C36 | C37 | H24 | 0.1° | 0.0° |
| H24 | C37 | C38 | H25 | 0.2° | 0.1° |
| H26 | C39 | H27 | H28 | 120.0° | 120.1° |
