6IB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | O1 | sing | 1.43Å | 1.42Å | |
| C25 | C31 | sing | 1.53Å | 1.57Å | |
| C25 | C21 | sing | 1.51Å | 1.53Å | |
| C31 | N5 | sing | 1.47Å | 1.50Å | |
| C19 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C16 | sing | 1.51Å | 1.54Å | |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| C21 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| N5 | C37 | sing | 1.47Å | 1.48Å | |
| C16 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| O1 | C12 | sing | 1.36Å | 1.37Å | |
| C7 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C8 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C15 | sing | 1.51Å | 1.53Å | |
| O2 | C35 | sing | 1.43Å | 1.42Å | |
| C10 | C17 | sing | 1.51Å | 1.51Å | |
| C15 | C18 | sing | 1.53Å | 1.55Å | |
| O3 | C36 | sing | 1.43Å | 1.41Å | |
| O3 | C24 | sing | 1.36Å | 1.36Å | |
| C17 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | N4 | sing | 1.47Å | 1.47Å | |
| C24 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | N4 | sing | 1.47Å | 1.47Å | |
| C30 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C26 | sing | 1.51Å | 1.53Å | |
| C38 | N6 | sing | 1.47Å | 1.47Å | |
| C32 | C26 | sing | 1.53Å | 1.56Å | |
| C32 | N6 | sing | 1.47Å | 1.50Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| N4 | H43 | sing | 1.01Å | 1.00Å | |
| N5 | H45 | sing | 1.01Å | 1.00Å | |
| N6 | H47 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | O1 | C12 | 114.1° | 117.0° |
| O1 | C33 | H25 | 109.5° | 109.5° |
| O1 | C33 | H26 | 109.5° | 109.5° |
| O1 | C33 | H27 | 109.5° | 109.5° |
| C31 | C25 | C21 | 116.4° | 109.4° |
| C25 | C31 | N5 | 114.1° | 109.5° |
| C31 | C25 | H16 | 107.7° | 109.4° |
| C31 | C25 | H17 | 107.7° | 109.5° |
| C25 | C31 | H21 | 108.3° | 109.4° |
| C25 | C31 | H22 | 108.3° | 109.5° |
| C25 | C21 | C19 | 124.8° | 120.0° |
| C25 | C21 | C27 | 119.5° | 119.9° |
| C21 | C25 | H16 | 107.7° | 109.5° |
| C21 | C25 | H17 | 107.7° | 109.5° |
| C31 | N5 | C37 | 112.5° | 111.0° |
| N5 | C31 | H21 | 108.3° | 109.5° |
| N5 | C31 | H22 | 108.3° | 109.5° |
| C31 | N5 | H45 | 108.7° | 111.0° |
| C21 | C19 | C16 | 125.2° | 120.1° |
| C19 | C21 | C27 | 115.7° | 120.1° |
| C21 | C19 | H15 | 117.4° | 120.0° |
| C19 | C16 | C9 | 124.5° | 120.0° |
| C19 | C16 | C23 | 115.7° | 119.9° |
| C16 | C19 | H15 | 117.4° | 120.0° |
| C16 | C9 | C7 | 115.0° | 109.4° |
| C9 | C16 | C23 | 119.8° | 120.0° |
| C16 | C9 | H10 | 108.1° | 109.5° |
| C16 | C9 | H11 | 108.1° | 109.5° |
| C9 | C7 | C12 | 123.1° | 120.0° |
| C9 | C7 | C13 | 120.1° | 120.1° |
| C7 | C9 | H10 | 108.1° | 109.5° |
| C7 | C9 | H11 | 108.1° | 109.5° |
| C21 | C27 | C29 | 121.1° | 120.1° |
| C21 | C27 | H18 | 119.5° | 119.9° |
| N5 | C37 | H37 | 109.5° | 109.4° |
| N5 | C37 | H38 | 109.5° | 109.5° |
| N5 | C37 | H39 | 109.5° | 109.5° |
| C37 | N5 | H45 | 108.7° | 111.0° |
| C16 | C23 | C29 | 120.4° | 119.9° |
| C16 | C23 | O2 | 120.9° | 120.0° |
| O1 | C12 | C7 | 118.2° | 120.0° |
| O1 | C12 | C8 | 119.0° | 120.1° |
| C12 | C7 | C13 | 116.7° | 119.9° |
| C7 | C12 | C8 | 122.8° | 119.9° |
| C7 | C13 | C11 | 123.5° | 120.1° |
| C7 | C13 | H3 | 118.2° | 119.9° |
| C12 | C8 | C10 | 123.1° | 120.1° |
| C12 | C8 | C14 | 117.2° | 119.9° |
| C27 | C29 | C23 | 121.8° | 119.9° |
| C29 | C27 | H18 | 119.4° | 120.0° |
| C27 | C29 | H19 | 119.1° | 120.0° |
| C13 | C11 | C14 | 116.7° | 120.1° |
| C13 | C11 | C15 | 120.8° | 120.0° |
| C11 | C13 | H3 | 118.2° | 120.0° |
| C29 | C23 | O2 | 118.7° | 120.1° |
| C23 | C29 | H19 | 119.1° | 120.0° |
| C23 | O2 | C35 | 113.5° | 117.0° |
| C10 | C8 | C14 | 119.7° | 120.0° |
| C8 | C10 | C17 | 114.4° | 109.5° |
| C8 | C10 | H1 | 108.2° | 109.5° |
| C8 | C10 | H2 | 108.2° | 109.4° |
| C8 | C14 | C11 | 123.1° | 120.1° |
| C8 | C14 | H12 | 118.5° | 120.0° |
| C14 | C11 | C15 | 122.5° | 119.9° |
| C11 | C14 | H12 | 118.5° | 119.9° |
| C11 | C15 | C18 | 116.8° | 109.4° |
| C11 | C15 | H4 | 107.6° | 109.5° |
| C11 | C15 | H5 | 107.6° | 109.5° |
| O2 | C35 | H31 | 109.5° | 109.5° |
| O2 | C35 | H32 | 109.5° | 109.5° |
| O2 | C35 | H33 | 109.4° | 109.5° |
| C10 | C17 | C24 | 119.1° | 120.0° |
| C10 | C17 | C20 | 124.2° | 120.0° |
| C17 | C10 | H1 | 108.2° | 109.5° |
| C17 | C10 | H2 | 108.2° | 109.4° |
| C15 | C18 | N4 | 113.3° | 109.4° |
| C18 | C15 | H4 | 107.6° | 109.5° |
| C18 | C15 | H5 | 107.6° | 109.5° |
| C15 | C18 | H13 | 108.5° | 109.5° |
| C15 | C18 | H14 | 108.5° | 109.5° |
| C36 | O3 | C24 | 115.3° | 117.0° |
| O3 | C36 | H34 | 109.5° | 109.5° |
| O3 | C36 | H35 | 109.5° | 109.4° |
| O3 | C36 | H36 | 109.5° | 109.5° |
| O3 | C24 | C17 | 118.7° | 120.1° |
| O3 | C24 | C30 | 121.8° | 120.1° |
| C24 | C17 | C20 | 116.7° | 119.9° |
| C17 | C24 | C30 | 119.5° | 119.9° |
| C17 | C20 | C22 | 125.4° | 120.1° |
| C17 | C20 | H6 | 117.3° | 120.0° |
| C34 | N4 | C18 | 110.9° | 111.0° |
| N4 | C34 | H28 | 109.5° | 109.4° |
| N4 | C34 | H29 | 109.5° | 109.5° |
| N4 | C34 | H30 | 109.5° | 109.5° |
| C34 | N4 | H43 | 109.1° | 111.0° |
| C24 | C30 | C28 | 122.0° | 120.0° |
| C24 | C30 | H20 | 119.0° | 120.0° |
| C20 | C22 | C28 | 115.0° | 120.1° |
| C20 | C22 | C26 | 124.1° | 120.0° |
| C22 | C20 | H6 | 117.3° | 120.0° |
| N4 | C18 | H13 | 108.5° | 109.5° |
| N4 | C18 | H14 | 108.5° | 109.5° |
| C18 | N4 | H43 | 109.1° | 111.0° |
| C30 | C28 | C22 | 121.5° | 120.1° |
| C30 | C28 | H9 | 119.3° | 120.0° |
| C28 | C30 | H20 | 119.0° | 120.1° |
| C28 | C22 | C26 | 121.0° | 119.9° |
| C22 | C28 | H9 | 119.2° | 120.0° |
| C22 | C26 | C32 | 117.5° | 109.5° |
| C22 | C26 | H7 | 107.4° | 109.5° |
| C22 | C26 | H8 | 107.4° | 109.4° |
| C38 | N6 | C32 | 114.2° | 111.0° |
| N6 | C38 | H40 | 109.5° | 109.5° |
| N6 | C38 | H41 | 109.5° | 109.5° |
| N6 | C38 | H42 | 109.4° | 109.5° |
| C38 | N6 | H47 | 108.3° | 111.0° |
| C26 | C32 | N6 | 113.9° | 109.5° |
| C32 | C26 | H7 | 107.5° | 109.5° |
| C32 | C26 | H8 | 107.4° | 109.4° |
| C26 | C32 | H23 | 108.3° | 109.5° |
| C26 | C32 | H24 | 108.4° | 109.5° |
| N6 | C32 | H23 | 108.4° | 109.5° |
| N6 | C32 | H24 | 108.3° | 109.5° |
| C32 | N6 | H47 | 108.3° | 111.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.6° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H21 | C31 | H22 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
| H25 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.4° | 109.4° |
| H28 | C34 | H29 | 109.5° | 109.4° |
| H28 | C34 | H30 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.4° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H31 | C35 | H33 | 109.5° | 109.4° |
| H32 | C35 | H33 | 109.5° | 109.5° |
| H34 | C36 | H35 | 109.4° | 109.5° |
| H34 | C36 | H36 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.5° | 109.5° |
| H37 | C37 | H38 | 109.4° | 109.5° |
| H37 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.4° | 109.5° |
| H40 | C38 | H41 | 109.4° | 109.4° |
| H40 | C38 | H42 | 109.5° | 109.4° |
| H41 | C38 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | O1 | C12 | C7 | 55.9° | 94.5° |
| C33 | O1 | C12 | C8 | 123.4° | 85.5° |
| O1 | C33 | H25 | H26 | 120.0° | 120.0° |
| O1 | C33 | H25 | H27 | 120.0° | 120.0° |
| O1 | C33 | H26 | H27 | 120.0° | 120.0° |
| C31 | C25 | C21 | H16 | 121.0° | 119.9° |
| C31 | C25 | C21 | H17 | 121.0° | 120.0° |
| C25 | C31 | N5 | H21 | 120.7° | 119.9° |
| C25 | C31 | N5 | H22 | 120.7° | 120.0° |
| C31 | C25 | C21 | C19 | 148.5° | 90.3° |
| C31 | C25 | C21 | C27 | 31.3° | 90.1° |
| C25 | C31 | N5 | C37 | 154.5° | 180.0° |
| C31 | C25 | H16 | H17 | 116.9° | 120.0° |
| C25 | C31 | H21 | H22 | 117.9° | 120.0° |
| C25 | C31 | N5 | H45 | 85.0° | 56.1° |
| C21 | C25 | C31 | N5 | 119.0° | 180.0° |
| C25 | C21 | C19 | C27 | 179.8° | 179.6° |
| C25 | C21 | C19 | C16 | 179.6° | 179.7° |
| C25 | C21 | C27 | C29 | 179.9° | 179.7° |
| C25 | C21 | C19 | H15 | 0.4° | 0.4° |
| C21 | C25 | H16 | H17 | 116.8° | 120.0° |
| C25 | C21 | C27 | H18 | 0.1° | 0.3° |
| C21 | C25 | C31 | H21 | 1.7° | 60.0° |
| C21 | C25 | C31 | H22 | 120.3° | 60.0° |
| C31 | N5 | C37 | H45 | 120.4° | 123.9° |
| N5 | C31 | C25 | H16 | 2.0° | 60.1° |
| N5 | C31 | C25 | H17 | 120.0° | 60.0° |
| N5 | C31 | H21 | H22 | 117.9° | 120.0° |
| C31 | N5 | C37 | H37 | 180.0° | 180.0° |
| C31 | N5 | C37 | H38 | 60.0° | 60.1° |
| C31 | N5 | C37 | H39 | 60.0° | 60.0° |
| C21 | C19 | C16 | H15 | 180.0° | 179.9° |
| C21 | C19 | C16 | C9 | 179.6° | 179.9° |
| C21 | C19 | C16 | C23 | 0.5° | 0.0° |
| C19 | C21 | C27 | C29 | 0.0° | 0.1° |
| C19 | C21 | C25 | H16 | 90.5° | 29.6° |
| C19 | C21 | C25 | H17 | 27.5° | 149.7° |
| C19 | C21 | C27 | H18 | 180.0° | 180.0° |
| C19 | C16 | C9 | C23 | 179.1° | 179.9° |
| C19 | C16 | C9 | C7 | 120.5° | 95.0° |
| C16 | C19 | C21 | C27 | 0.3° | 0.1° |
| C19 | C16 | C23 | C29 | 0.4° | 0.0° |
| C19 | C16 | C23 | O2 | 179.4° | 179.9° |
| C19 | C16 | C9 | H10 | 0.3° | 145.0° |
| C19 | C16 | C9 | H11 | 118.7° | 25.0° |
| C16 | C9 | C7 | H10 | 120.8° | 120.0° |
| C16 | C9 | C7 | H11 | 120.8° | 120.0° |
| C16 | C9 | C7 | C12 | 65.0° | 85.0° |
| C16 | C9 | C7 | C13 | 113.8° | 95.0° |
| C9 | C16 | C23 | C29 | 179.6° | 179.9° |
| C9 | C16 | C23 | O2 | 0.2° | 0.1° |
| C16 | C9 | H10 | H11 | 117.5° | 120.0° |
| C9 | C16 | C19 | H15 | 0.4° | 0.0° |
| C7 | C9 | C16 | C23 | 58.6° | 85.0° |
| C9 | C7 | C12 | O1 | 1.0° | 0.1° |
| C9 | C7 | C12 | C13 | 178.9° | 179.9° |
| C9 | C7 | C12 | C8 | 179.8° | 180.0° |
| C9 | C7 | C13 | C11 | 179.3° | 180.0° |
| C9 | C7 | C13 | H3 | 0.7° | 0.2° |
| C7 | C9 | H10 | H11 | 117.5° | 120.0° |
| C21 | C27 | C29 | H18 | 180.0° | 180.0° |
| C21 | C27 | C29 | C23 | 0.0° | 0.0° |
| C27 | C21 | C19 | H15 | 179.7° | 180.0° |
| C27 | C21 | C25 | H16 | 89.7° | 150.0° |
| C27 | C21 | C25 | H17 | 152.3° | 30.0° |
| C21 | C27 | C29 | H19 | 179.9° | 180.0° |
| C37 | N5 | C31 | H21 | 33.8° | 60.1° |
| C37 | N5 | C31 | H22 | 84.8° | 60.0° |
| N5 | C37 | H37 | H38 | 120.0° | 120.0° |
| N5 | C37 | H37 | H39 | 120.0° | 120.0° |
| N5 | C37 | H38 | H39 | 120.0° | 120.0° |
| C16 | C23 | C29 | C27 | 0.2° | 0.0° |
| C16 | C23 | C29 | O2 | 179.8° | 179.9° |
| C16 | C23 | O2 | C35 | 118.7° | 180.0° |
| C23 | C16 | C9 | H10 | 179.4° | 34.9° |
| C23 | C16 | C9 | H11 | 62.2° | 155.0° |
| C23 | C16 | C19 | H15 | 179.5° | 179.9° |
| C16 | C23 | C29 | H19 | 179.8° | 179.9° |
| O1 | C12 | C7 | C8 | 179.3° | 180.0° |
| O1 | C12 | C7 | C13 | 179.8° | 180.0° |
| O1 | C12 | C8 | C10 | 1.2° | 0.2° |
| O1 | C12 | C8 | C14 | 179.6° | 179.7° |
| C12 | O1 | C33 | H25 | 180.0° | 55.0° |
| C12 | O1 | C33 | H26 | 60.0° | 175.0° |
| C12 | O1 | C33 | H27 | 60.0° | 65.1° |
| C12 | C7 | C13 | C11 | 0.4° | 0.0° |
| C7 | C12 | C8 | C10 | 179.5° | 179.7° |
| C7 | C12 | C8 | C14 | 1.1° | 0.2° |
| C12 | C7 | C13 | H3 | 179.6° | 179.7° |
| C12 | C7 | C9 | H10 | 55.8° | 155.0° |
| C12 | C7 | C9 | H11 | 174.2° | 35.0° |
| C13 | C7 | C12 | C8 | 0.9° | 0.0° |
| C7 | C13 | C11 | H3 | 180.0° | 179.7° |
| C7 | C13 | C11 | C14 | 0.0° | 0.3° |
| C7 | C13 | C11 | C15 | 179.8° | 179.7° |
| C13 | C7 | C9 | H10 | 125.4° | 24.9° |
| C13 | C7 | C9 | H11 | 7.0° | 145.0° |
| C12 | C8 | C10 | C14 | 178.4° | 179.5° |
| C12 | C8 | C14 | C11 | 0.8° | 0.5° |
| C12 | C8 | C10 | C17 | 82.5° | 173.2° |
| C12 | C8 | C10 | H1 | 38.2° | 66.8° |
| C12 | C8 | C10 | H2 | 156.8° | 53.2° |
| C12 | C8 | C14 | H12 | 179.2° | 180.0° |
| C27 | C29 | C23 | H19 | 180.0° | 180.0° |
| C27 | C29 | C23 | O2 | 179.6° | 180.0° |
| C13 | C11 | C14 | C8 | 0.3° | 0.6° |
| C13 | C11 | C14 | C15 | 179.8° | 180.0° |
| C13 | C11 | C15 | C18 | 136.0° | 90.0° |
| C13 | C11 | C15 | H4 | 103.0° | 150.0° |
| C13 | C11 | C15 | H5 | 14.9° | 30.0° |
| C13 | C11 | C14 | H12 | 179.7° | 180.0° |
| C29 | C23 | O2 | C35 | 61.1° | 0.1° |
| C23 | C29 | C27 | H18 | 179.9° | 180.0° |
| O2 | C23 | C29 | H19 | 0.3° | 0.0° |
| C23 | O2 | C35 | H31 | 180.0° | 60.0° |
| C23 | O2 | C35 | H32 | 60.0° | 60.0° |
| C23 | O2 | C35 | H33 | 60.0° | 180.0° |
| C10 | C8 | C14 | C11 | 179.2° | 180.0° |
| C8 | C10 | C17 | H1 | 120.7° | 120.1° |
| C8 | C10 | C17 | H2 | 120.7° | 120.0° |
| C8 | C10 | C17 | C24 | 171.1° | 81.3° |
| C8 | C10 | C17 | C20 | 8.7° | 98.4° |
| C8 | C10 | H1 | H2 | 117.8° | 120.0° |
| C10 | C8 | C14 | H12 | 0.8° | 0.5° |
| C8 | C14 | C11 | H12 | 180.0° | 179.4° |
| C8 | C14 | C11 | C15 | 179.6° | 179.5° |
| C14 | C8 | C10 | C17 | 95.8° | 6.3° |
| C14 | C8 | C10 | H1 | 143.5° | 113.7° |
| C14 | C8 | C10 | H2 | 24.9° | 126.3° |
| C14 | C11 | C15 | C18 | 44.2° | 90.0° |
| C14 | C11 | C13 | H3 | 179.9° | 180.0° |
| C14 | C11 | C15 | H4 | 76.9° | 30.0° |
| C14 | C11 | C15 | H5 | 165.2° | 150.0° |
| C11 | C15 | C18 | H4 | 121.1° | 120.0° |
| C11 | C15 | C18 | H5 | 121.1° | 120.0° |
| C11 | C15 | C18 | N4 | 66.9° | 180.0° |
| C15 | C11 | C13 | H3 | 0.2° | 0.0° |
| C11 | C15 | H4 | H5 | 116.7° | 120.0° |
| C15 | C11 | C14 | H12 | 0.4° | 0.0° |
| C11 | C15 | C18 | H13 | 172.5° | 60.0° |
| C11 | C15 | C18 | H14 | 53.6° | 60.0° |
| O2 | C35 | H31 | H32 | 120.0° | 120.0° |
| O2 | C35 | H31 | H33 | 120.0° | 120.0° |
| O2 | C35 | H32 | H33 | 120.0° | 120.0° |
| C10 | C17 | C24 | O3 | 0.0° | 0.1° |
| C10 | C17 | C24 | C20 | 179.9° | 179.7° |
| C10 | C17 | C24 | C30 | 180.0° | 180.0° |
| C10 | C17 | C20 | C22 | 180.0° | 180.0° |
| C17 | C10 | H1 | H2 | 117.7° | 120.0° |
| C10 | C17 | C20 | H6 | 0.0° | 0.0° |
| C15 | C18 | N4 | C34 | 20.9° | 180.0° |
| C15 | C18 | N4 | H13 | 120.6° | 120.0° |
| C15 | C18 | N4 | H14 | 120.6° | 120.0° |
| C18 | C15 | H4 | H5 | 116.6° | 120.0° |
| C15 | C18 | H13 | H14 | 118.2° | 120.0° |
| C15 | C18 | N4 | H43 | 99.4° | 56.1° |
| C36 | O3 | C24 | C17 | 146.2° | 180.0° |
| C36 | O3 | C24 | C30 | 33.8° | 0.1° |
| O3 | C36 | H34 | H35 | 120.0° | 120.0° |
| O3 | C36 | H34 | H36 | 120.0° | 120.0° |
| O3 | C36 | H35 | H36 | 120.0° | 120.0° |
| O3 | C24 | C17 | C30 | 180.0° | 179.9° |
| O3 | C24 | C17 | C20 | 179.9° | 179.8° |
| O3 | C24 | C30 | C28 | 179.9° | 180.0° |
| O3 | C24 | C30 | H20 | 0.1° | 0.0° |
| C24 | O3 | C36 | H34 | 180.0° | 180.0° |
| C24 | O3 | C36 | H35 | 60.0° | 60.0° |
| C24 | O3 | C36 | H36 | 60.0° | 59.9° |
| C24 | C17 | C20 | C22 | 0.2° | 0.3° |
| C17 | C24 | C30 | C28 | 0.1° | 0.1° |
| C24 | C17 | C10 | H1 | 50.4° | 158.6° |
| C24 | C17 | C10 | H2 | 68.2° | 38.7° |
| C24 | C17 | C20 | H6 | 179.8° | 179.7° |
| C17 | C24 | C30 | H20 | 179.9° | 180.0° |
| C20 | C17 | C24 | C30 | 0.1° | 0.3° |
| C17 | C20 | C22 | H6 | 180.0° | 180.0° |
| C17 | C20 | C22 | C28 | 0.1° | 0.1° |
| C17 | C20 | C22 | C26 | 179.8° | 180.0° |
| C20 | C17 | C10 | H1 | 129.5° | 21.7° |
| C20 | C17 | C10 | H2 | 112.0° | 141.6° |
| C34 | N4 | C18 | H43 | 120.2° | 124.0° |
| C34 | N4 | C18 | H13 | 99.7° | 60.0° |
| C34 | N4 | C18 | H14 | 141.4° | 60.0° |
| N4 | C34 | H28 | H29 | 120.0° | 120.0° |
| N4 | C34 | H28 | H30 | 120.0° | 120.0° |
| N4 | C34 | H29 | H30 | 120.0° | 120.0° |
| C24 | C30 | C28 | H20 | 180.0° | 180.0° |
| C24 | C30 | C28 | C22 | 0.1° | 0.2° |
| C24 | C30 | C28 | H9 | 180.0° | 179.9° |
| C20 | C22 | C28 | C30 | 0.1° | 0.2° |
| C20 | C22 | C28 | C26 | 180.0° | 179.9° |
| C20 | C22 | C26 | C32 | 15.1° | 90.0° |
| C20 | C22 | C26 | H7 | 136.3° | 150.0° |
| C20 | C22 | C26 | H8 | 106.0° | 29.9° |
| C20 | C22 | C28 | H9 | 179.9° | 179.9° |
| N4 | C18 | C15 | H4 | 54.1° | 60.0° |
| N4 | C18 | C15 | H5 | 172.0° | 60.0° |
| N4 | C18 | H13 | H14 | 118.3° | 120.0° |
| C18 | N4 | C34 | H28 | 180.0° | 180.0° |
| C18 | N4 | C34 | H29 | 60.0° | 60.0° |
| C18 | N4 | C34 | H30 | 60.0° | 60.0° |
| C30 | C28 | C22 | H9 | 180.0° | 179.9° |
| C30 | C28 | C22 | C26 | 179.9° | 179.8° |
| C28 | C22 | C26 | C32 | 164.9° | 90.0° |
| C28 | C22 | C20 | H6 | 179.9° | 179.9° |
| C28 | C22 | C26 | H7 | 43.8° | 30.1° |
| C28 | C22 | C26 | H8 | 73.9° | 150.1° |
| C22 | C28 | C30 | H20 | 180.0° | 179.8° |
| C22 | C26 | C32 | H7 | 121.2° | 120.0° |
| C22 | C26 | C32 | H8 | 121.2° | 119.9° |
| C22 | C26 | C32 | N6 | 161.8° | 180.0° |
| C26 | C22 | C20 | H6 | 0.2° | 0.0° |
| C22 | C26 | H7 | H8 | 116.4° | 120.0° |
| C26 | C22 | C28 | H9 | 0.1° | 0.1° |
| C22 | C26 | C32 | H23 | 77.6° | 60.0° |
| C22 | C26 | C32 | H24 | 41.1° | 60.1° |
| C38 | N6 | C32 | C26 | 155.1° | 180.0° |
| C38 | N6 | C32 | H47 | 120.7° | 124.0° |
| C38 | N6 | C32 | H23 | 84.2° | 60.0° |
| C38 | N6 | C32 | H24 | 34.4° | 60.0° |
| N6 | C38 | H40 | H41 | 120.0° | 120.0° |
| N6 | C38 | H40 | H42 | 120.0° | 120.1° |
| N6 | C38 | H41 | H42 | 120.0° | 120.1° |
| C26 | C32 | N6 | H23 | 120.7° | 120.0° |
| C26 | C32 | N6 | H24 | 120.7° | 120.0° |
| C32 | C26 | H7 | H8 | 116.4° | 120.0° |
| C26 | C32 | H23 | H24 | 118.0° | 120.0° |
| C26 | C32 | N6 | H47 | 84.2° | 56.1° |
| N6 | C32 | C26 | H7 | 40.6° | 60.0° |
| N6 | C32 | C26 | H8 | 77.1° | 60.1° |
| N6 | C32 | H23 | H24 | 118.0° | 120.0° |
| C32 | N6 | C38 | H40 | 180.0° | 180.0° |
| C32 | N6 | C38 | H41 | 60.0° | 60.0° |
| C32 | N6 | C38 | H42 | 60.0° | 60.0° |
| H4 | C15 | C18 | H13 | 66.5° | 180.0° |
| H4 | C15 | C18 | H14 | 174.7° | 60.0° |
| H5 | C15 | C18 | H13 | 51.4° | 60.0° |
| H5 | C15 | C18 | H14 | 67.4° | 180.0° |
| H7 | C26 | C32 | H23 | 161.3° | 180.0° |
| H7 | C26 | C32 | H24 | 80.0° | 60.0° |
| H8 | C26 | C32 | H23 | 43.6° | 59.9° |
| H8 | C26 | C32 | H24 | 162.3° | 179.9° |
| H9 | C28 | C30 | H20 | 0.0° | 0.1° |
| H13 | C18 | N4 | H43 | 140.1° | 63.9° |
| H14 | C18 | N4 | H43 | 21.2° | 176.0° |
| H16 | C25 | C31 | H21 | 122.7° | 180.0° |
| H16 | C25 | C31 | H22 | 118.7° | 59.9° |
| H17 | C25 | C31 | H21 | 119.3° | 60.0° |
| H17 | C25 | C31 | H22 | 0.6° | 180.0° |
| H18 | C27 | C29 | H19 | 0.1° | 0.1° |
| H21 | C31 | N5 | H45 | 154.3° | 176.0° |
| H22 | C31 | N5 | H45 | 35.7° | 63.9° |
| H23 | C32 | N6 | H47 | 36.5° | 64.0° |
| H24 | C32 | N6 | H47 | 155.2° | 176.0° |
| H25 | C33 | H26 | H27 | 120.0° | 120.0° |
| H28 | C34 | H29 | H30 | 120.0° | 120.0° |
| H28 | C34 | N4 | H43 | 59.8° | 56.0° |
| H29 | C34 | N4 | H43 | 60.3° | 64.0° |
| H30 | C34 | N4 | H43 | 179.8° | 176.0° |
| H31 | C35 | H32 | H33 | 120.0° | 119.9° |
| H34 | C36 | H35 | H36 | 120.0° | 120.0° |
| H37 | C37 | H38 | H39 | 120.0° | 120.0° |
| H37 | C37 | N5 | H45 | 59.6° | 56.0° |
| H38 | C37 | N5 | H45 | 179.6° | 176.0° |
| H39 | C37 | N5 | H45 | 60.5° | 63.9° |
| H40 | C38 | H41 | H42 | 120.0° | 119.9° |
| H40 | C38 | N6 | H47 | 59.3° | 56.0° |
| H41 | C38 | N6 | H47 | 60.7° | 63.9° |
| H42 | C38 | N6 | H47 | 179.3° | 176.0° |
