2KE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.53Å | |
| C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | S37 | sing | 1.76Å | 1.71Å | |
| C26 | C25 | sing | 1.53Å | 1.40Å | |
| O39 | S37 | doub | 1.42Å | 1.43Å | |
| C25 | O24 | sing | 1.43Å | 1.42Å | |
| C30 | N1 | sing | 1.47Å | 1.45Å | |
| N40 | S37 | sing | 1.66Å | 1.63Å | |
| O16 | C15 | doub | 1.21Å | 1.24Å | |
| S37 | O38 | doub | 1.42Å | 1.43Å | |
| C15 | N1 | sing | 1.35Å | 1.37Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| O24 | C19 | sing | 1.36Å | 1.38Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.45Å | Aromatic |
| N13 | C14 | sing | 1.46Å | 1.46Å | |
| N13 | C9 | sing | 1.39Å | 1.40Å | |
| C14 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.41Å | |
| C20 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| O23 | C27 | sing | 1.43Å | 1.45Å | |
| C10 | C9 | doub | 1.40Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.53Å | 1.51Å | |
| C11 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C5 | doub | 1.40Å | 1.44Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.45Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.45Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| N12 | C7 | sing | 1.38Å | 1.40Å | |
| C7 | N2 | doub | 1.32Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.36Å | Aromatic |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C34 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| N13 | H14 | sing | 0.97Å | 1.00Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| N40 | H32 | sing | 0.97Å | 1.00Å | |
| N40 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 120.2° | 120.0° |
| C35 | C36 | C31 | 120.2° | 120.0° |
| C36 | C35 | H30 | 119.9° | 120.0° |
| C35 | C36 | H31 | 119.9° | 120.0° |
| C35 | C34 | C33 | 121.9° | 120.0° |
| C35 | C34 | H5 | 119.0° | 120.0° |
| C34 | C35 | H30 | 119.9° | 120.0° |
| C36 | C31 | C30 | 119.7° | 120.0° |
| C36 | C31 | C32 | 119.1° | 120.0° |
| C31 | C36 | H31 | 119.9° | 120.0° |
| C34 | C33 | C32 | 116.6° | 120.0° |
| C34 | C33 | S37 | 120.8° | 120.0° |
| C33 | C34 | H5 | 119.0° | 120.0° |
| C30 | C31 | C32 | 121.2° | 120.0° |
| C31 | C30 | N1 | 104.5° | 109.5° |
| C31 | C30 | H27 | 110.7° | 109.5° |
| C31 | C30 | H28 | 110.7° | 109.4° |
| C31 | C32 | C33 | 121.9° | 120.0° |
| C31 | C32 | H29 | 119.0° | 120.0° |
| C32 | C33 | S37 | 122.5° | 120.0° |
| C33 | C32 | H29 | 119.0° | 120.0° |
| C33 | S37 | O39 | 106.8° | 106.4° |
| C33 | S37 | N40 | 107.1° | 107.2° |
| C33 | S37 | O38 | 109.1° | 106.4° |
| C26 | C25 | O24 | 106.7° | 109.5° |
| C26 | C25 | H16 | 110.2° | 109.5° |
| C26 | C25 | H17 | 110.2° | 109.5° |
| C25 | C26 | H18 | 109.5° | 109.5° |
| C25 | C26 | H19 | 109.5° | 109.4° |
| C25 | C26 | H20 | 109.4° | 109.5° |
| O39 | S37 | N40 | 105.0° | 106.4° |
| O39 | S37 | O38 | 119.3° | 123.2° |
| C25 | O24 | C19 | 118.5° | 117.1° |
| O24 | C25 | H16 | 110.2° | 109.5° |
| O24 | C25 | H17 | 110.2° | 109.5° |
| C30 | N1 | C15 | 122.7° | 120.0° |
| C30 | N1 | H7 | 118.7° | 120.0° |
| N1 | C30 | H27 | 110.7° | 109.5° |
| N1 | C30 | H28 | 110.7° | 109.4° |
| N40 | S37 | O38 | 108.8° | 106.4° |
| S37 | N40 | H32 | 109.5° | 120.0° |
| S37 | N40 | H33 | 109.5° | 120.0° |
| O16 | C15 | N1 | 123.0° | 120.0° |
| O16 | C15 | C14 | 121.8° | 120.0° |
| N1 | C15 | C14 | 115.2° | 120.0° |
| C15 | N1 | H7 | 118.6° | 120.0° |
| C15 | C14 | N13 | 110.2° | 109.5° |
| C15 | C14 | C17 | 105.2° | 109.4° |
| C15 | C14 | H15 | 110.5° | 109.5° |
| O24 | C19 | C18 | 122.9° | 120.0° |
| O24 | C19 | C20 | 115.9° | 120.1° |
| C19 | C18 | C17 | 118.6° | 120.0° |
| C18 | C19 | C20 | 120.9° | 119.9° |
| C19 | C18 | H1 | 120.7° | 120.0° |
| C18 | C17 | C14 | 118.8° | 119.9° |
| C18 | C17 | C22 | 121.5° | 120.1° |
| C17 | C18 | H1 | 120.7° | 120.0° |
| C19 | C20 | O23 | 114.4° | 120.1° |
| C19 | C20 | C21 | 119.1° | 119.9° |
| C14 | N13 | C9 | 122.2° | 120.0° |
| N13 | C14 | C17 | 108.5° | 109.5° |
| C14 | N13 | H14 | 106.2° | 120.0° |
| N13 | C14 | H15 | 111.6° | 109.5° |
| N13 | C9 | C10 | 114.2° | 119.6° |
| N13 | C9 | C8 | 125.5° | 119.7° |
| C9 | N13 | H14 | 106.2° | 120.0° |
| C14 | C17 | C22 | 119.6° | 119.9° |
| C17 | C14 | H15 | 110.7° | 109.4° |
| C17 | C22 | C21 | 120.1° | 120.2° |
| C17 | C22 | H3 | 120.0° | 119.9° |
| O23 | C20 | C21 | 126.5° | 120.1° |
| C20 | O23 | C27 | 123.3° | 117.0° |
| C20 | C21 | C22 | 119.7° | 120.0° |
| C20 | C21 | H2 | 120.1° | 120.0° |
| O23 | C27 | C28 | 106.6° | 109.5° |
| O23 | C27 | C29 | 109.8° | 109.5° |
| O23 | C27 | H6 | 109.6° | 109.4° |
| C9 | C10 | C11 | 121.1° | 120.9° |
| C10 | C9 | C8 | 120.3° | 120.6° |
| C9 | C10 | H11 | 119.4° | 119.6° |
| C10 | C11 | C6 | 120.6° | 119.8° |
| C10 | C11 | H4 | 119.7° | 120.1° |
| C11 | C10 | H11 | 119.5° | 119.5° |
| C9 | C8 | C5 | 118.3° | 119.3° |
| C9 | C8 | H10 | 120.9° | 120.3° |
| C28 | C27 | C29 | 113.0° | 109.5° |
| C28 | C27 | H6 | 108.9° | 109.5° |
| C27 | C28 | H21 | 109.5° | 109.4° |
| C27 | C28 | H22 | 109.5° | 109.4° |
| C27 | C28 | H23 | 109.5° | 109.5° |
| C22 | C21 | H2 | 120.2° | 120.0° |
| C21 | C22 | H3 | 119.9° | 119.9° |
| C29 | C27 | H6 | 108.8° | 109.4° |
| C27 | C29 | H24 | 109.5° | 109.5° |
| C27 | C29 | H25 | 109.5° | 109.5° |
| C27 | C29 | H26 | 109.5° | 109.4° |
| C11 | C6 | C5 | 119.7° | 119.6° |
| C11 | C6 | C7 | 123.1° | 121.9° |
| C6 | C11 | H4 | 119.7° | 120.1° |
| C8 | C5 | C6 | 120.0° | 119.7° |
| C8 | C5 | C4 | 120.8° | 122.0° |
| C5 | C8 | H10 | 120.8° | 120.4° |
| C5 | C6 | C7 | 117.2° | 118.5° |
| C6 | C5 | C4 | 119.2° | 118.3° |
| C6 | C7 | N12 | 122.2° | 120.1° |
| C6 | C7 | N2 | 122.2° | 119.7° |
| C5 | C4 | C3 | 118.2° | 118.8° |
| C5 | C4 | H9 | 120.9° | 120.6° |
| N12 | C7 | N2 | 115.5° | 120.2° |
| C7 | N12 | H12 | 109.5° | 120.0° |
| C7 | N12 | H13 | 109.5° | 120.0° |
| C7 | N2 | C3 | 118.6° | 122.7° |
| C4 | C3 | N2 | 124.6° | 122.0° |
| C4 | C3 | H8 | 117.7° | 119.0° |
| C3 | C4 | H9 | 120.9° | 120.6° |
| N2 | C3 | H8 | 117.7° | 119.0° |
| H12 | N12 | H13 | 109.5° | 120.0° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H18 | C26 | H20 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.4° | 109.5° |
| H21 | C28 | H23 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.4° |
| H32 | N40 | H33 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H30 | 180.0° | 179.6° |
| C35 | C36 | C31 | H31 | 180.0° | 179.4° |
| C36 | C35 | C34 | C33 | 0.5° | 0.1° |
| C35 | C36 | C31 | C30 | 175.0° | 179.8° |
| C35 | C36 | C31 | C32 | 1.5° | 0.8° |
| C36 | C35 | C34 | H5 | 179.5° | 179.8° |
| C34 | C35 | C36 | C31 | 0.3° | 0.5° |
| C35 | C34 | C33 | H5 | 180.0° | 179.7° |
| C35 | C34 | C33 | C32 | 0.1° | 0.3° |
| C35 | C34 | C33 | S37 | 176.8° | 179.8° |
| C34 | C35 | C36 | H31 | 179.7° | 179.9° |
| C36 | C31 | C30 | C32 | 176.5° | 179.4° |
| C36 | C31 | C32 | C33 | 2.1° | 0.6° |
| C36 | C31 | C30 | N1 | 136.1° | 89.4° |
| C36 | C31 | C30 | H27 | 16.9° | 150.5° |
| C36 | C31 | C30 | H28 | 104.7° | 30.5° |
| C36 | C31 | C32 | H29 | 177.8° | 179.4° |
| C31 | C36 | C35 | H30 | 179.7° | 180.0° |
| C34 | C33 | C32 | C31 | 1.4° | 0.0° |
| C34 | C33 | C32 | S37 | 176.8° | 179.9° |
| C34 | C33 | S37 | O39 | 51.4° | 23.5° |
| C34 | C33 | S37 | N40 | 60.8° | 90.0° |
| C34 | C33 | S37 | O38 | 178.4° | 156.5° |
| C34 | C33 | C32 | H29 | 178.6° | 180.0° |
| C33 | C34 | C35 | H30 | 179.5° | 179.4° |
| C30 | C31 | C32 | C33 | 174.3° | 180.0° |
| C31 | C30 | N1 | H27 | 119.2° | 120.1° |
| C31 | C30 | N1 | H28 | 119.2° | 120.0° |
| C31 | C30 | N1 | C15 | 75.7° | 180.0° |
| C31 | C30 | N1 | H7 | 104.3° | 0.1° |
| C31 | C30 | H27 | H28 | 122.3° | 120.0° |
| C30 | C31 | C32 | H29 | 5.7° | 0.0° |
| C30 | C31 | C36 | H31 | 5.0° | 0.3° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C31 | C32 | C33 | S37 | 175.4° | 179.9° |
| C32 | C31 | C30 | N1 | 47.4° | 90.0° |
| C32 | C31 | C30 | H27 | 166.6° | 30.1° |
| C32 | C31 | C30 | H28 | 71.8° | 150.0° |
| C32 | C31 | C36 | H31 | 178.4° | 179.7° |
| C32 | C33 | S37 | O39 | 125.3° | 156.4° |
| C32 | C33 | S37 | N40 | 122.6° | 90.1° |
| C32 | C33 | S37 | O38 | 4.9° | 23.4° |
| C32 | C33 | C34 | H5 | 180.0° | 180.0° |
| C33 | S37 | O39 | N40 | 113.6° | 114.1° |
| C33 | S37 | O39 | O38 | 124.2° | 123.0° |
| C33 | S37 | N40 | O38 | 117.8° | 113.5° |
| S37 | C33 | C34 | H5 | 3.2° | 0.1° |
| S37 | C33 | C32 | H29 | 4.6° | 0.1° |
| C33 | S37 | N40 | H32 | 180.0° | 0.1° |
| C33 | S37 | N40 | H33 | 60.0° | 179.9° |
| C26 | C25 | O24 | H16 | 119.6° | 120.1° |
| C26 | C25 | O24 | H17 | 119.5° | 120.0° |
| C26 | C25 | O24 | C19 | 169.7° | 180.0° |
| C26 | C25 | H16 | H17 | 121.3° | 120.0° |
| C25 | C26 | H18 | H19 | 120.0° | 120.0° |
| C25 | C26 | H18 | H20 | 120.0° | 120.0° |
| C25 | C26 | H19 | H20 | 120.0° | 120.0° |
| O39 | S37 | N40 | O38 | 128.8° | 132.9° |
| O39 | S37 | N40 | H32 | 66.7° | 113.6° |
| O39 | S37 | N40 | H33 | 53.3° | 66.5° |
| C25 | O24 | C19 | C18 | 22.8° | 0.0° |
| C25 | O24 | C19 | C20 | 162.6° | 180.0° |
| O24 | C25 | H16 | H17 | 121.3° | 120.0° |
| O24 | C25 | C26 | H18 | 180.0° | 60.0° |
| O24 | C25 | C26 | H19 | 60.0° | 60.0° |
| O24 | C25 | C26 | H20 | 60.0° | 180.0° |
| C30 | N1 | C15 | O16 | 6.3° | 0.0° |
| C30 | N1 | C15 | H7 | 180.0° | 179.9° |
| C30 | N1 | C15 | C14 | 175.0° | 180.0° |
| N1 | C30 | H27 | H28 | 122.3° | 119.9° |
| S37 | N40 | H32 | H33 | 120.0° | 179.9° |
| O16 | C15 | N1 | C14 | 178.7° | 180.0° |
| O16 | C15 | C14 | N13 | 9.3° | 20.0° |
| O16 | C15 | C14 | C17 | 107.4° | 100.0° |
| O16 | C15 | N1 | H7 | 173.7° | 180.0° |
| O16 | C15 | C14 | H15 | 133.0° | 140.0° |
| O38 | S37 | N40 | H32 | 62.2° | 113.5° |
| O38 | S37 | N40 | H33 | 177.8° | 66.4° |
| N1 | C15 | C14 | N13 | 169.4° | 160.0° |
| N1 | C15 | C14 | C17 | 73.9° | 80.0° |
| N1 | C15 | C14 | H15 | 45.7° | 40.0° |
| C15 | N1 | C30 | H27 | 43.5° | 59.9° |
| C15 | N1 | C30 | H28 | 165.1° | 60.0° |
| C15 | C14 | C17 | C18 | 57.3° | 105.5° |
| C15 | C14 | N13 | C17 | 114.7° | 120.0° |
| C15 | C14 | N13 | H15 | 123.0° | 120.0° |
| C15 | C14 | N13 | C9 | 168.1° | 157.7° |
| C15 | C14 | C17 | H15 | 119.4° | 120.0° |
| C15 | C14 | C17 | C22 | 120.1° | 74.6° |
| C14 | C15 | N1 | H7 | 5.0° | 0.0° |
| C15 | C14 | N13 | H14 | 70.2° | 22.3° |
| O24 | C19 | C18 | C20 | 174.4° | 180.0° |
| O24 | C19 | C18 | C17 | 173.2° | 180.0° |
| O24 | C19 | C20 | O23 | 7.3° | 0.0° |
| O24 | C19 | C20 | C21 | 172.8° | 180.0° |
| O24 | C19 | C18 | H1 | 6.8° | 0.2° |
| C19 | O24 | C25 | H16 | 50.1° | 59.9° |
| C19 | O24 | C25 | H17 | 70.7° | 60.0° |
| C19 | C18 | C17 | H1 | 180.0° | 179.8° |
| C19 | C18 | C17 | C14 | 176.7° | 180.0° |
| C19 | C18 | C17 | C22 | 0.6° | 0.0° |
| C18 | C19 | C20 | O23 | 177.9° | 180.0° |
| C18 | C19 | C20 | C21 | 2.0° | 0.0° |
| C17 | C18 | C19 | C20 | 1.2° | 0.0° |
| C18 | C17 | C14 | N13 | 60.6° | 134.5° |
| C18 | C17 | C14 | C22 | 177.4° | 179.9° |
| C18 | C17 | C22 | C21 | 1.7° | 0.0° |
| C18 | C17 | C22 | H3 | 178.3° | 180.0° |
| C18 | C17 | C14 | H15 | 176.6° | 14.5° |
| C19 | C20 | O23 | C21 | 179.9° | 180.0° |
| C19 | C20 | O23 | C27 | 173.0° | 174.5° |
| C19 | C20 | C21 | C22 | 0.9° | 0.0° |
| C20 | C19 | C18 | H1 | 178.8° | 179.8° |
| C19 | C20 | C21 | H2 | 179.1° | 180.0° |
| C14 | N13 | C9 | H14 | 121.7° | 180.0° |
| N13 | C14 | C17 | H15 | 122.8° | 120.0° |
| N13 | C14 | C17 | C22 | 122.0° | 45.5° |
| C14 | N13 | C9 | C10 | 174.9° | 5.5° |
| C14 | N13 | C9 | C8 | 5.8° | 175.3° |
| C9 | N13 | C14 | C17 | 77.3° | 82.3° |
| N13 | C9 | C10 | C8 | 179.3° | 179.2° |
| N13 | C9 | C10 | C11 | 178.8° | 179.8° |
| N13 | C9 | C8 | C5 | 179.6° | 180.0° |
| N13 | C9 | C8 | H10 | 0.4° | 0.5° |
| N13 | C9 | C10 | H11 | 1.2° | 0.4° |
| C9 | N13 | C14 | H15 | 45.0° | 37.7° |
| C14 | C17 | C22 | C21 | 175.6° | 180.0° |
| C14 | C17 | C18 | H1 | 3.3° | 0.2° |
| C14 | C17 | C22 | H3 | 4.4° | 0.1° |
| C17 | C14 | N13 | H14 | 44.5° | 97.7° |
| C17 | C22 | C21 | C20 | 0.9° | 0.0° |
| C17 | C22 | C21 | H3 | 180.0° | 179.9° |
| C22 | C17 | C18 | H1 | 179.4° | 179.7° |
| C17 | C22 | C21 | H2 | 179.1° | 180.0° |
| C22 | C17 | C14 | H15 | 0.7° | 165.5° |
| C20 | O23 | C27 | C28 | 154.8° | 85.2° |
| O23 | C20 | C21 | C22 | 179.0° | 180.0° |
| C20 | O23 | C27 | C29 | 82.4° | 154.8° |
| O23 | C20 | C21 | H2 | 1.0° | 0.0° |
| C20 | O23 | C27 | H6 | 37.2° | 34.9° |
| C21 | C20 | O23 | C27 | 6.9° | 5.5° |
| C20 | C21 | C22 | H2 | 180.0° | 180.0° |
| C20 | C21 | C22 | H3 | 179.1° | 179.9° |
| O23 | C27 | C28 | C29 | 120.8° | 120.0° |
| O23 | C27 | C28 | H6 | 118.2° | 120.0° |
| O23 | C27 | C29 | H6 | 120.0° | 119.9° |
| O23 | C27 | C28 | H21 | 180.0° | 180.0° |
| O23 | C27 | C28 | H22 | 60.0° | 60.0° |
| O23 | C27 | C28 | H23 | 60.0° | 60.0° |
| O23 | C27 | C29 | H24 | 180.0° | 59.9° |
| O23 | C27 | C29 | H25 | 60.0° | 180.0° |
| O23 | C27 | C29 | H26 | 60.0° | 60.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | C6 | 0.2° | 0.1° |
| C10 | C9 | C8 | C5 | 1.2° | 0.8° |
| C9 | C10 | C11 | H4 | 179.8° | 179.7° |
| C10 | C9 | C8 | H10 | 178.8° | 179.7° |
| C10 | C9 | N13 | H14 | 53.1° | 174.5° |
| C11 | C10 | C9 | C8 | 1.9° | 0.6° |
| C10 | C11 | C6 | H4 | 180.0° | 179.7° |
| C10 | C11 | C6 | C5 | 2.0° | 0.2° |
| C10 | C11 | C6 | C7 | 179.4° | 179.8° |
| C9 | C8 | C5 | H10 | 180.0° | 179.5° |
| C9 | C8 | C5 | C6 | 1.0° | 0.5° |
| C9 | C8 | C5 | C4 | 177.7° | 179.5° |
| C8 | C9 | C10 | H11 | 178.1° | 179.5° |
| C8 | C9 | N13 | H14 | 127.6° | 4.7° |
| C28 | C27 | C29 | H6 | 121.1° | 120.1° |
| C27 | C28 | H21 | H22 | 120.0° | 120.0° |
| C27 | C28 | H21 | H23 | 120.0° | 120.0° |
| C27 | C28 | H22 | H23 | 120.0° | 120.0° |
| C28 | C27 | C29 | H24 | 61.1° | 179.9° |
| C28 | C27 | C29 | H25 | 58.9° | 60.0° |
| C28 | C27 | C29 | H26 | 178.9° | 60.0° |
| C29 | C27 | C28 | H21 | 59.3° | 60.0° |
| C29 | C27 | C28 | H22 | 179.2° | 180.0° |
| C29 | C27 | C28 | H23 | 60.8° | 60.0° |
| C27 | C29 | H24 | H25 | 120.0° | 120.0° |
| C27 | C29 | H24 | H26 | 120.0° | 120.0° |
| C27 | C29 | H25 | H26 | 120.0° | 119.9° |
| C11 | C6 | C5 | C8 | 2.6° | 0.0° |
| C11 | C6 | C5 | C7 | 178.7° | 180.0° |
| C11 | C6 | C5 | C4 | 176.1° | 180.0° |
| C11 | C6 | C7 | N12 | 9.6° | 0.1° |
| C11 | C6 | C7 | N2 | 174.3° | 180.0° |
| C6 | C11 | C10 | H11 | 179.8° | 179.9° |
| C8 | C5 | C6 | C4 | 178.7° | 179.9° |
| C8 | C5 | C6 | C7 | 178.7° | 180.0° |
| C8 | C5 | C4 | C3 | 178.3° | 180.0° |
| C8 | C5 | C4 | H9 | 1.7° | 0.0° |
| C5 | C6 | C7 | N12 | 171.7° | 179.9° |
| C5 | C6 | C7 | N2 | 4.3° | 0.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C6 | C11 | H4 | 178.0° | 180.0° |
| C6 | C5 | C4 | H9 | 179.6° | 180.0° |
| C6 | C5 | C8 | H10 | 179.0° | 180.0° |
| C7 | C6 | C5 | C4 | 2.6° | 0.0° |
| C6 | C7 | N12 | N2 | 176.3° | 180.0° |
| C6 | C7 | N2 | C3 | 2.9° | 0.0° |
| C7 | C6 | C11 | H4 | 0.6° | 0.0° |
| C6 | C7 | N12 | H12 | 176.3° | 0.0° |
| C6 | C7 | N12 | H13 | 56.3° | 180.0° |
| C5 | C4 | C3 | H9 | 180.0° | 180.0° |
| C5 | C4 | C3 | N2 | 2.1° | 0.0° |
| C5 | C4 | C3 | H8 | 178.0° | 180.0° |
| C4 | C5 | C8 | H10 | 2.3° | 0.0° |
| N12 | C7 | N2 | C3 | 173.4° | 180.0° |
| C7 | N12 | H12 | H13 | 120.0° | 179.9° |
| C7 | N2 | C3 | C4 | 0.4° | 0.0° |
| C7 | N2 | C3 | H8 | 179.6° | 180.0° |
| N2 | C7 | N12 | H12 | 0.0° | 180.0° |
| N2 | C7 | N12 | H13 | 120.0° | 0.1° |
| C4 | C3 | N2 | H8 | 180.0° | 180.0° |
| N2 | C3 | C4 | H9 | 177.9° | 180.0° |
| H2 | C21 | C22 | H3 | 0.9° | 0.0° |
| H4 | C11 | C10 | H11 | 0.2° | 0.2° |
| H5 | C34 | C35 | H30 | 0.5° | 0.2° |
| H6 | C27 | C28 | H21 | 61.8° | 60.0° |
| H6 | C27 | C28 | H22 | 58.2° | 60.0° |
| H6 | C27 | C28 | H23 | 178.2° | 180.0° |
| H6 | C27 | C29 | H24 | 60.0° | 60.0° |
| H6 | C27 | C29 | H25 | 180.0° | 60.1° |
| H6 | C27 | C29 | H26 | 60.0° | 180.0° |
| H7 | N1 | C30 | H27 | 136.5° | 120.0° |
| H7 | N1 | C30 | H28 | 14.9° | 120.0° |
| H8 | C3 | C4 | H9 | 2.0° | 0.0° |
| H14 | N13 | C14 | H15 | 166.8° | 142.3° |
| H16 | C25 | C26 | H18 | 60.4° | 179.9° |
| H16 | C25 | C26 | H19 | 59.6° | 60.0° |
| H16 | C25 | C26 | H20 | 179.6° | 60.0° |
| H17 | C25 | C26 | H18 | 60.5° | 60.0° |
| H17 | C25 | C26 | H19 | 179.5° | 180.0° |
| H17 | C25 | C26 | H20 | 59.5° | 60.0° |
| H18 | C26 | H19 | H20 | 120.0° | 120.0° |
| H21 | C28 | H22 | H23 | 120.0° | 120.1° |
| H24 | C29 | H25 | H26 | 120.0° | 120.0° |
| H30 | C35 | C36 | H31 | 0.3° | 0.5° |
