9YB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.39Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| O23 | C22 | sing | 1.43Å | 1.45Å | |
| C7 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.54Å | 1.60Å | |
| C17 | N14 | sing | 1.47Å | 1.41Å | |
| C18 | C19 | sing | 1.51Å | 1.41Å | |
| C11 | C6 | sing | 1.42Å | 1.46Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C13 | N14 | sing | 1.47Å | 1.57Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C6 | C3 | sing | 1.41Å | 1.45Å | Aromatic |
| N14 | C15 | sing | 1.48Å | 1.45Å | |
| C21 | N20 | sing | 1.47Å | 1.50Å | |
| C12 | C5 | doub | 1.36Å | 1.35Å | Aromatic |
| C19 | N20 | sing | 1.34Å | 1.40Å | Aromatic |
| C19 | C16 | doub | 1.36Å | 1.32Å | Aromatic |
| N20 | N24 | sing | 1.29Å | 1.16Å | Aromatic |
| C15 | C16 | sing | 1.50Å | 1.48Å | |
| C3 | O2 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.37Å | 1.36Å | Aromatic |
| C16 | C25 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| N24 | C25 | doub | 1.32Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.36Å | |
| C26 | O27 | doub | 1.22Å | 1.26Å | |
| C26 | N28 | sing | 1.35Å | 1.34Å | |
| O39 | C37 | doub | 1.21Å | 1.26Å | |
| N28 | C29 | sing | 1.46Å | 1.46Å | |
| C37 | C30 | sing | 1.51Å | 1.53Å | |
| C37 | O38 | sing | 1.34Å | 1.27Å | |
| C29 | C30 | sing | 1.53Å | 1.58Å | |
| C29 | C31 | sing | 1.51Å | 1.43Å | |
| C32 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.43Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.34Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| N28 | H24 | sing | 0.97Å | 1.00Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| O38 | H28 | sing | 0.97Å | 0.95Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 120.8° | 121.0° |
| C9 | C8 | C7 | 120.2° | 121.0° |
| C9 | C8 | H4 | 119.9° | 119.5° |
| C8 | C9 | H5 | 119.6° | 119.5° |
| C9 | C10 | C11 | 122.7° | 119.6° |
| C10 | C9 | H5 | 119.6° | 119.5° |
| C9 | C10 | H6 | 118.7° | 120.1° |
| C8 | C7 | C6 | 120.3° | 119.7° |
| C8 | C7 | H3 | 119.8° | 120.2° |
| C7 | C8 | H4 | 119.9° | 119.5° |
| C10 | C11 | C6 | 114.4° | 119.4° |
| C10 | C11 | C12 | 123.4° | 121.2° |
| C11 | C10 | H6 | 118.7° | 120.2° |
| O23 | C22 | C21 | 99.9° | 109.5° |
| O23 | C22 | H21 | 111.8° | 109.5° |
| O23 | C22 | H22 | 111.8° | 109.5° |
| C22 | O23 | H23 | 109.5° | 114.0° |
| C7 | C6 | C11 | 121.5° | 119.4° |
| C7 | C6 | C3 | 122.2° | 121.3° |
| C6 | C7 | H3 | 119.9° | 120.2° |
| C18 | C17 | N14 | 114.0° | 109.8° |
| C17 | C18 | C19 | 113.7° | 107.8° |
| C18 | C17 | H15 | 108.3° | 109.4° |
| C18 | C17 | H16 | 108.3° | 109.4° |
| C17 | C18 | H17 | 108.4° | 109.8° |
| C17 | C18 | H18 | 108.4° | 109.8° |
| C17 | N14 | C13 | 113.8° | 111.0° |
| C17 | N14 | C15 | 116.0° | 111.5° |
| N14 | C17 | H15 | 108.3° | 109.4° |
| N14 | C17 | H16 | 108.3° | 109.4° |
| C18 | C19 | N20 | 127.9° | 129.8° |
| C18 | C19 | C16 | 125.9° | 122.9° |
| C19 | C18 | H17 | 108.4° | 109.8° |
| C19 | C18 | H18 | 108.4° | 109.8° |
| C6 | C11 | C12 | 122.1° | 119.4° |
| C11 | C6 | C3 | 116.2° | 119.3° |
| C11 | C12 | C13 | 124.0° | 120.2° |
| C11 | C12 | C5 | 119.4° | 119.8° |
| C22 | C21 | N20 | 108.3° | 109.5° |
| C22 | C21 | H19 | 109.8° | 109.5° |
| C22 | C21 | H20 | 109.8° | 109.5° |
| C21 | C22 | H21 | 111.8° | 109.5° |
| C21 | C22 | H22 | 111.8° | 109.5° |
| N14 | C13 | C12 | 115.4° | 109.4° |
| C13 | N14 | C15 | 115.3° | 111.0° |
| N14 | C13 | H7 | 107.9° | 109.5° |
| N14 | C13 | H8 | 108.0° | 109.5° |
| C13 | C12 | C5 | 116.6° | 120.1° |
| C12 | C13 | H7 | 108.0° | 109.5° |
| C12 | C13 | H8 | 107.9° | 109.4° |
| C6 | C3 | O2 | 111.1° | 120.3° |
| C6 | C3 | C4 | 119.9° | 119.6° |
| N14 | C15 | C16 | 115.3° | 108.1° |
| N14 | C15 | H13 | 108.0° | 109.7° |
| N14 | C15 | H14 | 108.0° | 109.7° |
| C21 | N20 | C19 | 121.4° | 125.0° |
| C21 | N20 | N24 | 128.4° | 125.1° |
| N20 | C21 | H19 | 109.8° | 109.5° |
| N20 | C21 | H20 | 109.8° | 109.5° |
| C12 | C5 | C4 | 121.7° | 121.0° |
| C12 | C5 | H2 | 119.1° | 119.5° |
| N20 | C19 | C16 | 106.0° | 107.2° |
| C19 | N20 | N24 | 110.2° | 110.0° |
| C19 | C16 | C15 | 120.1° | 123.9° |
| C19 | C16 | C25 | 107.6° | 105.9° |
| N20 | N24 | C25 | 112.4° | 110.2° |
| C15 | C16 | C25 | 132.1° | 130.2° |
| C16 | C15 | H13 | 108.0° | 109.7° |
| C16 | C15 | H14 | 108.0° | 109.8° |
| O2 | C3 | C4 | 129.0° | 120.2° |
| C3 | O2 | C1 | 116.7° | 117.0° |
| C3 | C4 | C5 | 120.5° | 120.9° |
| C3 | C4 | H1 | 119.8° | 119.6° |
| C16 | C25 | N24 | 103.6° | 106.6° |
| C16 | C25 | C26 | 130.1° | 126.7° |
| C5 | C4 | H1 | 119.7° | 119.5° |
| C4 | C5 | H2 | 119.1° | 119.5° |
| O2 | C1 | H9 | 109.5° | 109.5° |
| O2 | C1 | H10 | 109.5° | 109.5° |
| O2 | C1 | H11 | 109.5° | 109.5° |
| N24 | C25 | C26 | 126.2° | 126.7° |
| C25 | C26 | O27 | 123.4° | 120.0° |
| C25 | C26 | N28 | 119.3° | 120.0° |
| O27 | C26 | N28 | 116.8° | 120.0° |
| C26 | N28 | C29 | 127.7° | 120.0° |
| C26 | N28 | H24 | 116.1° | 120.0° |
| O39 | C37 | C30 | 116.5° | 120.0° |
| O39 | C37 | O38 | 126.6° | 120.0° |
| N28 | C29 | C30 | 117.9° | 109.5° |
| N28 | C29 | C31 | 111.8° | 109.5° |
| C29 | N28 | H24 | 116.2° | 120.0° |
| N28 | C29 | H25 | 104.4° | 109.5° |
| C30 | C37 | O38 | 116.7° | 120.0° |
| C37 | C30 | C29 | 104.4° | 109.5° |
| C37 | C30 | H26 | 110.7° | 109.5° |
| C37 | C30 | H27 | 110.7° | 109.5° |
| C37 | O38 | H28 | 109.5° | 116.9° |
| C30 | C29 | C31 | 113.0° | 109.5° |
| C30 | C29 | H25 | 103.3° | 109.5° |
| C29 | C30 | H26 | 110.8° | 109.5° |
| C29 | C30 | H27 | 110.7° | 109.5° |
| C29 | C31 | C32 | 120.4° | 120.0° |
| C29 | C31 | C36 | 117.4° | 120.0° |
| C31 | C29 | H25 | 104.8° | 109.4° |
| C31 | C32 | C33 | 115.0° | 120.0° |
| C32 | C31 | C36 | 122.0° | 120.0° |
| C31 | C32 | H29 | 122.5° | 120.0° |
| C32 | C33 | C34 | 122.0° | 120.0° |
| C33 | C32 | H29 | 122.5° | 120.0° |
| C32 | C33 | H30 | 119.0° | 120.0° |
| C31 | C36 | C35 | 121.8° | 120.0° |
| C31 | C36 | H33 | 119.1° | 120.1° |
| C33 | C34 | C35 | 123.6° | 120.0° |
| C34 | C33 | H30 | 119.0° | 120.0° |
| C33 | C34 | H31 | 118.2° | 120.0° |
| C36 | C35 | C34 | 115.2° | 120.0° |
| C36 | C35 | H32 | 122.4° | 120.0° |
| C35 | C36 | H33 | 119.0° | 120.0° |
| C35 | C34 | H31 | 118.2° | 120.0° |
| C34 | C35 | H32 | 122.4° | 120.0° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.8° |
| H15 | C17 | H16 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.9° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.7° | 0.0° |
| C9 | C8 | C7 | C6 | 0.6° | 0.0° |
| C9 | C8 | C7 | H3 | 179.4° | 180.0° |
| C8 | C9 | C10 | H6 | 178.3° | 180.0° |
| C10 | C9 | C8 | C7 | 2.2° | 0.0° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 1.5° | 0.0° |
| C9 | C10 | C11 | C12 | 179.3° | 179.8° |
| C10 | C9 | C8 | H4 | 177.8° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C11 | 4.0° | 0.0° |
| C8 | C7 | C6 | C3 | 179.4° | 180.0° |
| C7 | C8 | C9 | H5 | 177.8° | 180.0° |
| C10 | C11 | C6 | C7 | 4.3° | 0.0° |
| C10 | C11 | C6 | C12 | 177.9° | 179.8° |
| C10 | C11 | C12 | C13 | 3.1° | 0.0° |
| C10 | C11 | C6 | C3 | 178.9° | 180.0° |
| C10 | C11 | C12 | C5 | 177.0° | 180.0° |
| C11 | C10 | C9 | H5 | 178.3° | 180.0° |
| O23 | C22 | C21 | H21 | 118.4° | 120.0° |
| O23 | C22 | C21 | H22 | 118.4° | 120.0° |
| O23 | C22 | C21 | N20 | 74.6° | 180.0° |
| O23 | C22 | C21 | H19 | 165.6° | 60.0° |
| O23 | C22 | C21 | H20 | 45.2° | 60.0° |
| O23 | C22 | H21 | H22 | 124.5° | 120.0° |
| C7 | C6 | C11 | C3 | 176.8° | 180.0° |
| C7 | C6 | C11 | C12 | 177.8° | 179.8° |
| C7 | C6 | C3 | O2 | 1.8° | 0.0° |
| C7 | C6 | C3 | C4 | 179.6° | 180.0° |
| C6 | C7 | C8 | H4 | 179.3° | 180.0° |
| C18 | C17 | N14 | H15 | 120.7° | 120.1° |
| C18 | C17 | N14 | H16 | 120.6° | 120.1° |
| C17 | C18 | C19 | H17 | 120.6° | 119.5° |
| C17 | C18 | C19 | H18 | 120.6° | 119.6° |
| C18 | C17 | N14 | C13 | 178.1° | 164.4° |
| C18 | C17 | N14 | C15 | 44.6° | 71.3° |
| C17 | C18 | C19 | N20 | 170.8° | 164.1° |
| C17 | C18 | C19 | C16 | 3.8° | 15.8° |
| C18 | C17 | H15 | H16 | 117.9° | 119.9° |
| C17 | C18 | H17 | H18 | 118.1° | 120.8° |
| N14 | C17 | C18 | C19 | 25.9° | 49.2° |
| C17 | N14 | C13 | C15 | 137.6° | 124.6° |
| C17 | N14 | C13 | C12 | 58.6° | 65.5° |
| C17 | N14 | C15 | C16 | 41.2° | 50.8° |
| C17 | N14 | C13 | H7 | 62.3° | 54.6° |
| C17 | N14 | C13 | H8 | 179.4° | 174.6° |
| C17 | N14 | C15 | H13 | 79.6° | 68.8° |
| C17 | N14 | C15 | H14 | 162.0° | 170.6° |
| N14 | C17 | H15 | H16 | 118.0° | 119.8° |
| N14 | C17 | C18 | H17 | 94.7° | 70.3° |
| N14 | C17 | C18 | H18 | 146.5° | 168.9° |
| C18 | C19 | N20 | C21 | 3.0° | 0.2° |
| C18 | C19 | N20 | C16 | 175.4° | 179.9° |
| C18 | C19 | N20 | N24 | 178.0° | 179.8° |
| C18 | C19 | C16 | C15 | 0.1° | 0.4° |
| C18 | C19 | C16 | C25 | 176.6° | 179.7° |
| C19 | C18 | C17 | H15 | 94.7° | 169.3° |
| C19 | C18 | C17 | H16 | 146.6° | 70.8° |
| C19 | C18 | H17 | H18 | 118.1° | 120.9° |
| C6 | C11 | C12 | C13 | 179.2° | 179.8° |
| C6 | C11 | C12 | C5 | 0.7° | 0.2° |
| C11 | C6 | C3 | O2 | 178.6° | 180.0° |
| C11 | C6 | C3 | C4 | 3.6° | 0.0° |
| C11 | C6 | C7 | H3 | 176.0° | 180.0° |
| C6 | C11 | C10 | H6 | 178.5° | 180.0° |
| C11 | C12 | C13 | N14 | 91.9° | 80.0° |
| C11 | C12 | C13 | C5 | 179.9° | 180.0° |
| C12 | C11 | C6 | C3 | 1.0° | 0.2° |
| C11 | C12 | C5 | C4 | 0.2° | 0.1° |
| C11 | C12 | C5 | H2 | 179.8° | 180.0° |
| C12 | C11 | C10 | H6 | 0.6° | 0.2° |
| C11 | C12 | C13 | H7 | 29.0° | 160.0° |
| C11 | C12 | C13 | H8 | 147.3° | 39.9° |
| C22 | C21 | N20 | H19 | 119.8° | 120.0° |
| C22 | C21 | N20 | H20 | 119.8° | 120.0° |
| C22 | C21 | N20 | C19 | 120.8° | 90.0° |
| C22 | C21 | N20 | N24 | 57.9° | 90.0° |
| C22 | C21 | H19 | H20 | 120.6° | 120.0° |
| C21 | C22 | H21 | H22 | 124.5° | 120.0° |
| C21 | C22 | O23 | H23 | 180.0° | 180.0° |
| N14 | C13 | C12 | H7 | 120.9° | 120.0° |
| N14 | C13 | C12 | H8 | 120.9° | 120.0° |
| N14 | C13 | C12 | C5 | 88.0° | 100.0° |
| C13 | N14 | C15 | C16 | 177.9° | 175.2° |
| N14 | C13 | H7 | H8 | 117.3° | 120.0° |
| C13 | N14 | C15 | H13 | 57.1° | 55.6° |
| C13 | N14 | C15 | H14 | 61.3° | 65.1° |
| C13 | N14 | C17 | H15 | 61.3° | 44.3° |
| C13 | N14 | C17 | H16 | 57.4° | 75.5° |
| C12 | C13 | N14 | C15 | 79.0° | 169.9° |
| C13 | C12 | C5 | C4 | 179.9° | 180.0° |
| C13 | C12 | C5 | H2 | 0.1° | 0.0° |
| C12 | C13 | H7 | H8 | 117.3° | 120.0° |
| C6 | C3 | O2 | C4 | 177.5° | 180.0° |
| C6 | C3 | C4 | C5 | 4.7° | 0.2° |
| C6 | C3 | O2 | C1 | 177.0° | 179.9° |
| C6 | C3 | C4 | H1 | 175.3° | 180.0° |
| C3 | C6 | C7 | H3 | 0.6° | 0.1° |
| N14 | C15 | C16 | C19 | 18.0° | 16.1° |
| N14 | C15 | C16 | H13 | 120.9° | 119.6° |
| N14 | C15 | C16 | H14 | 120.8° | 119.7° |
| N14 | C15 | C16 | C25 | 166.6° | 163.8° |
| C15 | N14 | C13 | H7 | 160.1° | 70.0° |
| C15 | N14 | C13 | H8 | 41.8° | 50.0° |
| N14 | C15 | H13 | H14 | 117.4° | 120.6° |
| C15 | N14 | C17 | H15 | 76.1° | 168.6° |
| C15 | N14 | C17 | H16 | 165.2° | 48.8° |
| C21 | N20 | C19 | N24 | 178.9° | 180.0° |
| C21 | N20 | C19 | C16 | 178.5° | 179.8° |
| C21 | N20 | N24 | C25 | 178.1° | 180.0° |
| N20 | C21 | H19 | H20 | 120.5° | 120.0° |
| N20 | C21 | C22 | H21 | 43.9° | 60.0° |
| N20 | C21 | C22 | H22 | 167.0° | 60.0° |
| C12 | C5 | C4 | C3 | 3.0° | 0.3° |
| C12 | C5 | C4 | H2 | 180.0° | 179.9° |
| C12 | C5 | C4 | H1 | 177.0° | 180.0° |
| C5 | C12 | C13 | H7 | 151.1° | 20.0° |
| C5 | C12 | C13 | H8 | 32.8° | 140.0° |
| N20 | C19 | C16 | C15 | 175.4° | 179.7° |
| N20 | C19 | C16 | C25 | 1.0° | 0.2° |
| C19 | N20 | N24 | C25 | 3.1° | 0.0° |
| N20 | C19 | C18 | H17 | 68.6° | 76.4° |
| N20 | C19 | C18 | H18 | 50.2° | 44.5° |
| C19 | N20 | C21 | H19 | 119.4° | 150.0° |
| C19 | N20 | C21 | H20 | 1.0° | 30.0° |
| C16 | C19 | N20 | N24 | 2.6° | 0.1° |
| C19 | C16 | C15 | C25 | 175.4° | 179.8° |
| C19 | C16 | C25 | N24 | 0.6° | 0.2° |
| C19 | C16 | C25 | C26 | 178.6° | 179.9° |
| C19 | C16 | C15 | H13 | 102.9° | 103.5° |
| C19 | C16 | C15 | H14 | 138.8° | 135.7° |
| C16 | C19 | C18 | H17 | 116.8° | 103.7° |
| C16 | C19 | C18 | H18 | 124.4° | 135.4° |
| N20 | N24 | C25 | C16 | 2.4° | 0.1° |
| N20 | N24 | C25 | C26 | 179.5° | 180.0° |
| N24 | N20 | C21 | H19 | 61.9° | 30.0° |
| N24 | N20 | C21 | H20 | 177.7° | 150.0° |
| C15 | C16 | C25 | N24 | 176.4° | 179.7° |
| C15 | C16 | C25 | C26 | 5.6° | 0.2° |
| C16 | C15 | H13 | H14 | 117.3° | 120.7° |
| O2 | C3 | C4 | C5 | 178.1° | 179.7° |
| O2 | C3 | C4 | H1 | 2.0° | 0.0° |
| C3 | O2 | C1 | H9 | 180.0° | 60.0° |
| C3 | O2 | C1 | H10 | 60.0° | 60.1° |
| C3 | O2 | C1 | H11 | 60.0° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | O2 | C1 | 0.4° | 0.0° |
| C3 | C4 | C5 | H2 | 177.0° | 179.8° |
| C16 | C25 | N24 | C26 | 178.1° | 179.9° |
| C16 | C25 | C26 | O27 | 11.3° | 0.0° |
| C16 | C25 | C26 | N28 | 176.9° | 180.0° |
| C25 | C16 | C15 | H13 | 72.5° | 76.6° |
| C25 | C16 | C15 | H14 | 45.8° | 44.1° |
| O2 | C1 | H9 | H10 | 120.0° | 120.0° |
| O2 | C1 | H9 | H11 | 120.0° | 120.0° |
| O2 | C1 | H10 | H11 | 120.0° | 120.0° |
| N24 | C25 | C26 | O27 | 171.1° | 179.9° |
| N24 | C25 | C26 | N28 | 0.7° | 0.1° |
| C25 | C26 | O27 | N28 | 172.0° | 180.0° |
| C25 | C26 | N28 | C29 | 173.9° | 174.9° |
| C25 | C26 | N28 | H24 | 6.1° | 5.1° |
| O27 | C26 | N28 | C29 | 1.6° | 5.0° |
| O27 | C26 | N28 | H24 | 178.4° | 175.0° |
| C26 | N28 | C29 | H24 | 180.0° | 180.0° |
| C26 | N28 | C29 | C30 | 51.3° | 153.8° |
| C26 | N28 | C29 | C31 | 82.1° | 86.2° |
| C26 | N28 | C29 | H25 | 165.2° | 33.8° |
| O39 | C37 | C30 | O38 | 174.7° | 180.0° |
| O39 | C37 | C30 | C29 | 110.9° | 4.5° |
| O39 | C37 | C30 | H26 | 8.3° | 124.5° |
| O39 | C37 | C30 | H27 | 129.9° | 115.5° |
| O39 | C37 | O38 | H28 | 0.0° | 0.0° |
| N28 | C29 | C30 | C37 | 79.1° | 65.6° |
| N28 | C29 | C30 | C31 | 132.9° | 120.0° |
| N28 | C29 | C30 | H25 | 114.5° | 120.0° |
| N28 | C29 | C31 | H25 | 112.5° | 120.0° |
| N28 | C29 | C31 | C32 | 7.2° | 40.3° |
| N28 | C29 | C31 | C36 | 167.8° | 140.0° |
| N28 | C29 | C30 | H26 | 40.1° | 174.4° |
| N28 | C29 | C30 | H27 | 161.7° | 54.4° |
| C37 | C30 | C29 | H26 | 119.2° | 120.0° |
| C37 | C30 | C29 | H27 | 119.2° | 120.0° |
| C37 | C30 | C29 | C31 | 148.0° | 174.4° |
| C37 | C30 | C29 | H25 | 35.4° | 54.4° |
| C37 | C30 | H26 | H27 | 122.3° | 120.0° |
| C30 | C37 | O38 | H28 | 174.1° | 180.0° |
| O38 | C37 | C30 | C29 | 63.7° | 175.5° |
| O38 | C37 | C30 | H26 | 177.1° | 55.5° |
| O38 | C37 | C30 | H27 | 55.4° | 64.4° |
| C30 | C29 | C31 | H25 | 111.7° | 120.0° |
| C30 | C29 | C31 | C32 | 128.7° | 79.7° |
| C30 | C29 | C31 | C36 | 56.4° | 100.0° |
| C30 | C29 | N28 | H24 | 128.7° | 26.2° |
| C29 | C30 | H26 | H27 | 122.4° | 120.0° |
| C29 | C31 | C32 | C36 | 174.7° | 179.7° |
| C29 | C31 | C32 | C33 | 173.1° | 180.0° |
| C29 | C31 | C36 | C35 | 177.4° | 179.8° |
| C31 | C29 | N28 | H24 | 97.9° | 93.8° |
| C31 | C29 | C30 | H26 | 92.8° | 54.4° |
| C31 | C29 | C30 | H27 | 28.8° | 65.6° |
| C29 | C31 | C32 | H29 | 6.9° | 0.0° |
| C29 | C31 | C36 | H33 | 2.6° | 0.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 5.4° | 0.1° |
| C32 | C31 | C36 | C35 | 2.5° | 0.5° |
| C32 | C31 | C29 | H25 | 119.7° | 160.2° |
| C31 | C32 | C33 | H30 | 174.6° | 179.9° |
| C32 | C31 | C36 | H33 | 177.5° | 179.7° |
| C33 | C32 | C31 | C36 | 1.6° | 0.2° |
| C32 | C33 | C34 | H30 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 5.2° | 0.1° |
| C32 | C33 | C34 | H31 | 174.8° | 180.0° |
| C31 | C36 | C35 | H33 | 180.0° | 179.8° |
| C31 | C36 | C35 | C34 | 3.0° | 0.4° |
| C36 | C31 | C29 | H25 | 55.3° | 20.0° |
| C36 | C31 | C32 | H29 | 178.4° | 179.8° |
| C31 | C36 | C35 | H32 | 177.0° | 179.7° |
| C33 | C34 | C35 | C36 | 0.8° | 0.1° |
| C33 | C34 | C35 | H31 | 180.0° | 179.9° |
| C34 | C33 | C32 | H29 | 174.6° | 179.9° |
| C33 | C34 | C35 | H32 | 179.2° | 180.0° |
| C36 | C35 | C34 | H32 | 180.0° | 179.9° |
| C36 | C35 | C34 | H31 | 179.2° | 179.8° |
| C35 | C34 | C33 | H30 | 174.8° | 180.0° |
| C34 | C35 | C36 | H33 | 177.0° | 179.8° |
| H1 | C4 | C5 | H2 | 3.0° | 0.1° |
| H3 | C7 | C8 | H4 | 0.6° | 0.1° |
| H4 | C8 | C9 | H5 | 2.2° | 0.1° |
| H5 | C9 | C10 | H6 | 1.7° | 0.1° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H15 | C17 | C18 | H17 | 144.7° | 49.8° |
| H15 | C17 | C18 | H18 | 25.9° | 71.1° |
| H16 | C17 | C18 | H17 | 26.0° | 169.6° |
| H16 | C17 | C18 | H18 | 92.8° | 48.8° |
| H19 | C21 | C22 | H21 | 75.9° | 180.0° |
| H19 | C21 | C22 | H22 | 47.2° | 60.0° |
| H20 | C21 | C22 | H21 | 163.7° | 60.0° |
| H20 | C21 | C22 | H22 | 73.2° | 180.0° |
| H21 | C22 | O23 | H23 | 61.6° | 60.0° |
| H22 | C22 | O23 | H23 | 61.6° | 60.0° |
| H24 | N28 | C29 | H25 | 14.8° | 146.2° |
| H25 | C29 | C30 | H26 | 154.6° | 65.6° |
| H25 | C29 | C30 | H27 | 83.7° | 174.4° |
| H29 | C32 | C33 | H30 | 5.4° | 0.1° |
| H30 | C33 | C34 | H31 | 5.2° | 0.1° |
| H31 | C34 | C35 | H32 | 0.8° | 0.1° |
| H32 | C35 | C36 | H33 | 3.0° | 0.1° |
