X26
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C5 | sing | 1.53Å | 1.52Å | |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C13 | sing | 1.36Å | 1.39Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.45Å | Aromatic |
| N4 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| N5 | C17 | sing | 1.39Å | 1.36Å | |
| N5 | C14 | sing | 1.39Å | 1.38Å | |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N6 | sing | 1.47Å | 1.48Å | |
| C17 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | N7 | sing | 1.47Å | 1.48Å | |
| C28 | N1 | sing | 1.46Å | 1.46Å | |
| C | N7 | sing | 1.47Å | 1.47Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| N6 | C2 | sing | 1.47Å | 1.47Å | |
| N6 | C6 | sing | 1.35Å | 1.36Å | |
| C11 | C6 | sing | 1.48Å | 1.51Å | |
| C11 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | N1 | sing | 1.40Å | 1.41Å | |
| C19 | C20 | doub | 1.40Å | 1.47Å | Aromatic |
| C35 | N8 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N8 | C37 | sing | 1.47Å | 1.47Å | |
| N8 | C33 | sing | 1.47Å | 1.48Å | |
| N3 | C20 | sing | 1.33Å | 1.35Å | Aromatic |
| N7 | C30 | sing | 1.47Å | 1.49Å | |
| N1 | C27 | sing | 1.33Å | 1.33Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | O3 | doub | 1.22Å | 1.22Å | |
| C30 | C33 | sing | 1.53Å | 1.53Å | |
| C20 | N2 | sing | 1.38Å | 1.38Å | |
| C27 | O1 | doub | 1.22Å | 1.24Å | |
| C27 | C26 | sing | 1.47Å | 1.49Å | |
| N2 | C21 | sing | 1.39Å | 1.41Å | |
| N2 | C29 | sing | 1.47Å | 1.48Å | |
| C26 | C21 | doub | 1.40Å | 1.47Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | C29 | sing | 1.54Å | 1.52Å | |
| C31 | C32 | sing | 1.55Å | 1.54Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C7 | sing | 1.54Å | 1.54Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C8 | sing | 1.55Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | 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 | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C10 | H47 | sing | 1.09Å | 1.10Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C5 | C9 | 110.9° | 109.5° |
| C10 | C5 | O2 | 106.5° | 109.4° |
| C10 | C5 | H25 | 108.5° | 109.5° |
| C5 | C10 | H46 | 109.5° | 109.5° |
| C5 | C10 | H47 | 109.5° | 109.4° |
| C5 | C10 | H48 | 109.4° | 109.5° |
| C9 | C5 | O2 | 113.0° | 109.5° |
| C9 | C5 | H25 | 108.3° | 109.5° |
| C5 | C9 | H43 | 109.5° | 109.5° |
| C5 | C9 | H44 | 109.4° | 109.5° |
| C5 | C9 | H45 | 109.5° | 109.5° |
| C5 | O2 | C13 | 121.4° | 117.0° |
| O2 | C5 | H25 | 109.6° | 109.4° |
| O2 | C13 | C12 | 124.3° | 120.0° |
| O2 | C13 | C14 | 114.9° | 120.0° |
| C12 | C13 | C14 | 120.8° | 120.0° |
| C13 | C12 | C11 | 119.5° | 119.8° |
| C13 | C12 | H11 | 120.3° | 120.0° |
| C13 | C14 | N5 | 115.3° | 120.0° |
| C13 | C14 | C15 | 118.6° | 120.1° |
| C18 | N4 | C17 | 122.3° | 121.0° |
| N4 | C18 | C19 | 120.1° | 119.2° |
| N4 | C18 | H4 | 120.0° | 120.4° |
| N4 | C17 | N5 | 118.4° | 119.1° |
| N4 | C17 | N3 | 121.0° | 121.7° |
| C17 | N5 | C14 | 127.4° | 120.0° |
| N5 | C17 | N3 | 120.5° | 119.2° |
| C17 | N5 | H10 | 116.3° | 120.0° |
| N5 | C14 | C15 | 126.0° | 119.9° |
| C14 | N5 | H10 | 116.3° | 120.0° |
| C12 | C11 | C6 | 121.2° | 120.0° |
| C12 | C11 | C16 | 119.5° | 119.9° |
| C11 | C12 | H11 | 120.2° | 120.1° |
| C18 | C19 | N1 | 120.1° | 119.9° |
| C18 | C19 | C20 | 115.4° | 118.4° |
| C19 | C18 | H4 | 119.9° | 120.4° |
| C4 | C3 | N6 | 109.4° | 108.8° |
| C3 | C4 | C | 114.1° | 109.3° |
| C4 | C3 | H18 | 109.5° | 109.6° |
| C4 | C3 | H19 | 109.5° | 109.6° |
| C3 | C4 | H20 | 108.3° | 109.5° |
| C3 | C4 | H21 | 108.3° | 109.5° |
| C3 | N6 | C2 | 113.8° | 118.7° |
| C3 | N6 | C6 | 124.1° | 120.6° |
| N6 | C3 | H18 | 109.5° | 109.6° |
| N6 | C3 | H19 | 109.5° | 109.6° |
| C17 | N3 | C20 | 119.9° | 120.6° |
| C14 | C15 | C16 | 119.5° | 120.1° |
| C14 | C15 | H12 | 120.3° | 120.0° |
| C4 | C | N7 | 110.8° | 109.5° |
| C4 | C | C1 | 106.7° | 109.6° |
| C | C4 | H20 | 108.3° | 109.5° |
| C | C4 | H21 | 108.3° | 109.5° |
| C4 | C | H22 | 109.2° | 109.5° |
| C35 | C36 | N7 | 110.1° | 109.4° |
| C36 | C35 | N8 | 108.9° | 109.4° |
| C36 | C35 | H32 | 109.6° | 109.5° |
| C36 | C35 | H33 | 109.6° | 109.5° |
| C35 | C36 | H34 | 109.3° | 109.5° |
| C35 | C36 | H35 | 109.3° | 109.5° |
| C36 | N7 | C | 110.5° | 111.0° |
| C36 | N7 | C30 | 107.0° | 110.9° |
| N7 | C36 | H34 | 109.4° | 109.5° |
| N7 | C36 | H35 | 109.3° | 109.5° |
| C28 | N1 | C19 | 116.5° | 116.6° |
| C28 | N1 | C27 | 119.5° | 116.7° |
| N1 | C28 | H1 | 109.5° | 109.4° |
| N1 | C28 | H2 | 109.4° | 109.5° |
| N1 | C28 | H3 | 109.4° | 109.5° |
| N7 | C | C1 | 110.9° | 109.4° |
| C | N7 | C30 | 111.0° | 111.0° |
| N7 | C | H22 | 110.0° | 109.4° |
| C | C1 | C2 | 113.3° | 109.3° |
| C | C1 | H16 | 108.5° | 109.5° |
| C | C1 | H17 | 108.5° | 109.5° |
| C1 | C | H22 | 109.2° | 109.5° |
| C2 | N6 | C6 | 122.1° | 120.7° |
| N6 | C2 | C1 | 110.0° | 108.8° |
| N6 | C2 | H14 | 109.4° | 109.6° |
| N6 | C2 | H15 | 109.4° | 109.7° |
| N6 | C6 | C11 | 118.0° | 120.0° |
| N6 | C6 | O3 | 121.9° | 120.0° |
| C6 | C11 | C16 | 119.3° | 120.1° |
| C11 | C6 | O3 | 120.0° | 120.0° |
| C11 | C16 | C15 | 122.0° | 120.0° |
| C11 | C16 | H13 | 119.0° | 120.0° |
| N1 | C19 | C20 | 124.3° | 121.7° |
| C19 | N1 | C27 | 124.0° | 126.7° |
| C19 | C20 | N3 | 121.1° | 119.1° |
| C19 | C20 | N2 | 123.8° | 121.1° |
| C35 | N8 | C37 | 110.5° | 111.0° |
| C35 | N8 | C33 | 108.0° | 110.9° |
| N8 | C35 | H32 | 109.6° | 109.5° |
| N8 | C35 | H33 | 109.6° | 109.5° |
| C1 | C2 | H14 | 109.3° | 109.6° |
| C1 | C2 | H15 | 109.3° | 109.5° |
| C2 | C1 | H16 | 108.5° | 109.5° |
| C2 | C1 | H17 | 108.5° | 109.5° |
| C37 | N8 | C33 | 109.3° | 111.0° |
| N8 | C37 | H36 | 109.5° | 109.5° |
| N8 | C37 | H37 | 109.4° | 109.5° |
| N8 | C37 | H38 | 109.5° | 109.4° |
| N8 | C33 | C30 | 110.4° | 109.4° |
| N8 | C33 | H29 | 109.2° | 109.5° |
| N8 | C33 | H30 | 109.2° | 109.5° |
| N3 | C20 | N2 | 114.7° | 119.8° |
| N7 | C30 | C33 | 110.7° | 109.4° |
| N7 | C30 | H27 | 109.2° | 109.5° |
| N7 | C30 | H28 | 109.2° | 109.4° |
| N1 | C27 | O1 | 119.0° | 117.1° |
| N1 | C27 | C26 | 122.7° | 125.9° |
| C16 | C15 | H12 | 120.3° | 119.9° |
| C15 | C16 | H13 | 119.0° | 120.0° |
| C33 | C30 | H27 | 109.2° | 109.5° |
| C33 | C30 | H28 | 109.2° | 109.5° |
| C30 | C33 | H29 | 109.2° | 109.5° |
| C30 | C33 | H30 | 109.2° | 109.5° |
| C20 | N2 | C21 | 112.5° | 119.0° |
| C20 | N2 | C29 | 122.7° | 120.5° |
| O1 | C27 | C26 | 118.2° | 117.1° |
| C27 | C26 | C21 | 123.1° | 121.0° |
| C27 | C26 | C25 | 118.2° | 119.8° |
| C21 | N2 | C29 | 121.5° | 120.5° |
| N2 | C21 | C26 | 125.8° | 120.1° |
| N2 | C21 | C22 | 116.5° | 119.9° |
| N2 | C29 | C31 | 112.4° | 110.0° |
| N2 | C29 | C7 | 112.6° | 110.0° |
| N2 | C29 | H9 | 108.7° | 110.0° |
| C21 | C26 | C25 | 118.7° | 119.2° |
| C26 | C21 | C22 | 117.6° | 119.9° |
| C26 | C25 | C24 | 120.9° | 120.1° |
| C26 | C25 | H5 | 119.6° | 119.9° |
| C29 | C31 | C32 | 101.9° | 104.2° |
| C31 | C29 | C7 | 106.9° | 106.6° |
| C31 | C29 | H9 | 108.2° | 110.1° |
| C29 | C31 | H23 | 111.3° | 110.5° |
| C29 | C31 | H24 | 111.3° | 110.5° |
| C31 | C32 | C8 | 105.5° | 102.7° |
| C32 | C31 | H23 | 111.3° | 110.5° |
| C32 | C31 | H24 | 111.3° | 110.5° |
| C31 | C32 | H49 | 110.4° | 110.7° |
| C31 | C32 | H50 | 110.5° | 110.7° |
| C21 | C22 | C23 | 122.3° | 120.1° |
| C21 | C22 | H8 | 118.9° | 120.0° |
| C25 | C24 | C23 | 119.9° | 120.4° |
| C24 | C25 | H5 | 119.6° | 120.0° |
| C25 | C24 | H6 | 120.1° | 119.8° |
| C29 | C7 | C8 | 104.2° | 106.6° |
| C7 | C29 | H9 | 107.9° | 110.1° |
| C29 | C7 | H39 | 110.8° | 110.1° |
| C29 | C7 | H40 | 110.8° | 110.0° |
| C22 | C23 | C24 | 120.6° | 120.3° |
| C22 | C23 | H7 | 119.7° | 119.9° |
| C23 | C22 | H8 | 118.8° | 119.9° |
| C23 | C24 | H6 | 120.1° | 119.8° |
| C24 | C23 | H7 | 119.7° | 119.9° |
| C32 | C8 | C7 | 107.4° | 104.2° |
| C32 | C8 | H41 | 110.0° | 110.5° |
| C32 | C8 | H42 | 110.0° | 110.6° |
| C8 | C32 | H49 | 110.5° | 110.8° |
| C8 | C32 | H50 | 110.4° | 110.8° |
| C8 | C7 | H39 | 110.8° | 110.0° |
| C8 | C7 | H40 | 110.8° | 110.0° |
| C7 | C8 | H41 | 110.0° | 110.5° |
| C7 | C8 | H42 | 110.0° | 110.5° |
| H1 | C28 | H2 | 109.5° | 109.4° |
| H1 | C28 | H3 | 109.5° | 109.4° |
| H2 | C28 | H3 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.4° | 109.6° |
| H16 | C1 | H17 | 109.4° | 109.5° |
| H18 | C3 | H19 | 109.4° | 109.7° |
| H20 | C4 | H21 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.5° | 110.5° |
| H27 | C30 | H28 | 109.4° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H32 | C35 | H33 | 109.5° | 109.4° |
| H34 | C36 | H35 | 109.5° | 109.4° |
| H36 | C37 | H37 | 109.4° | 109.5° |
| H36 | C37 | H38 | 109.5° | 109.5° |
| H37 | C37 | H38 | 109.5° | 109.5° |
| H39 | C7 | H40 | 109.5° | 110.0° |
| H41 | C8 | H42 | 109.5° | 110.4° |
| H43 | C9 | H44 | 109.5° | 109.4° |
| H43 | C9 | H45 | 109.4° | 109.5° |
| H44 | C9 | H45 | 109.5° | 109.5° |
| H46 | C10 | H47 | 109.5° | 109.5° |
| H46 | C10 | H48 | 109.5° | 109.5° |
| H47 | C10 | H48 | 109.5° | 109.5° |
| H49 | C32 | H50 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C5 | C9 | O2 | 119.4° | 120.0° |
| C10 | C5 | C9 | H25 | 119.0° | 120.1° |
| C10 | C5 | O2 | H25 | 117.2° | 120.0° |
| C10 | C5 | O2 | C13 | 172.6° | 147.7° |
| C10 | C5 | C9 | H43 | 180.0° | 180.0° |
| C10 | C5 | C9 | H44 | 60.0° | 60.0° |
| C10 | C5 | C9 | H45 | 60.0° | 60.0° |
| C5 | C10 | H46 | H47 | 120.0° | 120.0° |
| C5 | C10 | H46 | H48 | 120.0° | 120.1° |
| C5 | C10 | H47 | H48 | 120.0° | 120.0° |
| C9 | C5 | O2 | H25 | 120.9° | 120.0° |
| C9 | C5 | O2 | C13 | 65.5° | 92.3° |
| C5 | C9 | H43 | H44 | 120.0° | 120.0° |
| C5 | C9 | H43 | H45 | 120.0° | 120.0° |
| C5 | C9 | H44 | H45 | 120.0° | 120.0° |
| C9 | C5 | C10 | H46 | 180.0° | 180.0° |
| C9 | C5 | C10 | H47 | 60.0° | 60.0° |
| C9 | C5 | C10 | H48 | 60.0° | 60.0° |
| C5 | O2 | C13 | C12 | 21.4° | 3.6° |
| C5 | O2 | C13 | C14 | 156.4° | 176.4° |
| O2 | C5 | C9 | H43 | 60.5° | 60.0° |
| O2 | C5 | C9 | H44 | 179.4° | 59.9° |
| O2 | C5 | C9 | H45 | 59.4° | 180.0° |
| O2 | C5 | C10 | H46 | 56.7° | 60.0° |
| O2 | C5 | C10 | H47 | 63.3° | 180.0° |
| O2 | C5 | C10 | H48 | 176.7° | 60.0° |
| O2 | C13 | C12 | C14 | 177.6° | 180.0° |
| O2 | C13 | C14 | N5 | 0.5° | 0.0° |
| O2 | C13 | C12 | C11 | 179.6° | 179.9° |
| O2 | C13 | C14 | C15 | 177.6° | 179.8° |
| O2 | C13 | C12 | H11 | 0.4° | 0.1° |
| C13 | O2 | C5 | H25 | 55.4° | 27.8° |
| C12 | C13 | C14 | N5 | 178.3° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 4.6° | 0.2° |
| C13 | C12 | C11 | C6 | 179.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.5° | 0.3° |
| C13 | C14 | N5 | C17 | 154.3° | 155.3° |
| C13 | C14 | N5 | C15 | 176.9° | 179.7° |
| C14 | C13 | C12 | C11 | 2.8° | 0.1° |
| C13 | C14 | C15 | C16 | 4.0° | 0.3° |
| C13 | C14 | N5 | H10 | 25.8° | 24.7° |
| C14 | C13 | C12 | H11 | 177.2° | 179.9° |
| C13 | C14 | C15 | H12 | 176.0° | 179.7° |
| C18 | N4 | C17 | N5 | 178.8° | 179.0° |
| N4 | C18 | C19 | H4 | 180.0° | 180.0° |
| C18 | N4 | C17 | N3 | 1.8° | 1.0° |
| N4 | C18 | C19 | N1 | 178.4° | 178.0° |
| N4 | C18 | C19 | C20 | 3.9° | 1.6° |
| N4 | C17 | N5 | N3 | 177.0° | 180.0° |
| N4 | C17 | N5 | C14 | 153.7° | 5.1° |
| C17 | N4 | C18 | C19 | 3.1° | 0.3° |
| N4 | C17 | N3 | C20 | 1.7° | 0.1° |
| C17 | N4 | C18 | H4 | 177.0° | 179.8° |
| N4 | C17 | N5 | H10 | 26.3° | 174.8° |
| C17 | N5 | C14 | H10 | 180.0° | 180.0° |
| C17 | N5 | C14 | C15 | 28.9° | 25.0° |
| N5 | C17 | N3 | C20 | 178.6° | 179.9° |
| C14 | N5 | C17 | N3 | 29.3° | 174.8° |
| N5 | C14 | C15 | C16 | 179.2° | 180.0° |
| N5 | C14 | C15 | H12 | 0.8° | 0.0° |
| C12 | C11 | C6 | N6 | 52.3° | 146.4° |
| C12 | C11 | C6 | C16 | 178.5° | 179.7° |
| C12 | C11 | C16 | C15 | 0.1° | 0.2° |
| C12 | C11 | C6 | O3 | 131.2° | 33.6° |
| C12 | C11 | C16 | H13 | 179.9° | 179.7° |
| C18 | C19 | N1 | C28 | 41.1° | 39.6° |
| C18 | C19 | N1 | C20 | 174.1° | 179.6° |
| C18 | C19 | C20 | N3 | 3.8° | 2.6° |
| C18 | C19 | N1 | C27 | 136.8° | 140.5° |
| C18 | C19 | C20 | N2 | 176.5° | 176.3° |
| C4 | C3 | N6 | H18 | 120.0° | 119.8° |
| C4 | C3 | N6 | H19 | 120.0° | 119.8° |
| C3 | C4 | C | H20 | 120.7° | 120.0° |
| C3 | C4 | C | H21 | 120.7° | 119.9° |
| C3 | C4 | C | N7 | 175.0° | 178.6° |
| C3 | C4 | C | C1 | 54.2° | 61.4° |
| C4 | C3 | N6 | C2 | 55.8° | 53.6° |
| C4 | C3 | N6 | C6 | 124.7° | 126.4° |
| C4 | C3 | H18 | H19 | 120.0° | 120.4° |
| C3 | C4 | H20 | H21 | 117.9° | 120.0° |
| C3 | C4 | C | H22 | 63.7° | 58.7° |
| N6 | C3 | C4 | C | 55.4° | 54.6° |
| C3 | N6 | C2 | C6 | 179.5° | 180.0° |
| C3 | N6 | C6 | C11 | 4.2° | 5.1° |
| C3 | N6 | C2 | C1 | 56.6° | 53.6° |
| C3 | N6 | C6 | O3 | 172.2° | 174.9° |
| C3 | N6 | C2 | H14 | 176.7° | 66.2° |
| C3 | N6 | C2 | H15 | 63.5° | 173.4° |
| N6 | C3 | H18 | H19 | 120.0° | 120.3° |
| N6 | C3 | C4 | H20 | 176.1° | 174.6° |
| N6 | C3 | C4 | H21 | 65.2° | 65.3° |
| C17 | N3 | C20 | C19 | 2.8° | 1.9° |
| C17 | N3 | C20 | N2 | 176.1° | 177.0° |
| N3 | C17 | N5 | H10 | 150.7° | 5.2° |
| C14 | C15 | C16 | C11 | 1.9° | 0.0° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C15 | C14 | N5 | H10 | 151.1° | 155.1° |
| C14 | C15 | C16 | H13 | 178.1° | 180.0° |
| C4 | C | N7 | C36 | 54.7° | 56.2° |
| C4 | C | N7 | C1 | 118.3° | 120.1° |
| C4 | C | N7 | H22 | 120.8° | 120.0° |
| C4 | C | C1 | H22 | 117.9° | 120.1° |
| C4 | C | C1 | C2 | 54.2° | 61.4° |
| C4 | C | N7 | C30 | 173.3° | 180.0° |
| C4 | C | C1 | H16 | 174.8° | 58.5° |
| C4 | C | C1 | H17 | 66.4° | 178.7° |
| C | C4 | C3 | H18 | 175.4° | 174.4° |
| C | C4 | C3 | H19 | 64.6° | 65.2° |
| C | C4 | H20 | H21 | 117.9° | 120.1° |
| C35 | C36 | N7 | H34 | 120.1° | 120.0° |
| C35 | C36 | N7 | H35 | 120.1° | 120.0° |
| C35 | C36 | N7 | C | 177.8° | 176.8° |
| C36 | C35 | N8 | H32 | 119.9° | 120.0° |
| C36 | C35 | N8 | H33 | 119.9° | 120.0° |
| C36 | C35 | N8 | C37 | 179.5° | 176.8° |
| C36 | C35 | N8 | C33 | 60.9° | 59.3° |
| C35 | C36 | N7 | C30 | 61.2° | 59.3° |
| C36 | C35 | H32 | H33 | 120.3° | 120.1° |
| C35 | C36 | H34 | H35 | 119.7° | 120.1° |
| C36 | N7 | C | C30 | 118.6° | 123.8° |
| C36 | N7 | C | C1 | 173.0° | 176.3° |
| N7 | C36 | C35 | N8 | 63.7° | 58.4° |
| C36 | N7 | C30 | C33 | 59.1° | 59.3° |
| C36 | N7 | C | H22 | 66.1° | 63.8° |
| C36 | N7 | C30 | H27 | 179.3° | 179.3° |
| C36 | N7 | C30 | H28 | 61.0° | 60.6° |
| N7 | C36 | C35 | H32 | 176.4° | 61.6° |
| N7 | C36 | C35 | H33 | 56.3° | 178.4° |
| N7 | C36 | H34 | H35 | 119.7° | 120.0° |
| C28 | N1 | C19 | C27 | 177.9° | 180.0° |
| C28 | N1 | C19 | C20 | 133.0° | 140.0° |
| C28 | N1 | C27 | O1 | 7.6° | 1.1° |
| C28 | N1 | C27 | C26 | 173.2° | 178.6° |
| N1 | C28 | H1 | H2 | 120.0° | 120.0° |
| N1 | C28 | H1 | H3 | 120.0° | 119.9° |
| N1 | C28 | H2 | H3 | 120.0° | 120.1° |
| N7 | C | C1 | H22 | 121.4° | 119.9° |
| N7 | C | C1 | C2 | 175.0° | 178.6° |
| C | N7 | C30 | C33 | 179.8° | 176.8° |
| N7 | C | C1 | H16 | 64.4° | 61.5° |
| N7 | C | C1 | H17 | 54.4° | 58.6° |
| N7 | C | C4 | H20 | 64.3° | 58.7° |
| N7 | C | C4 | H21 | 54.4° | 61.5° |
| C | N7 | C30 | H27 | 60.0° | 56.8° |
| C | N7 | C30 | H28 | 59.6° | 63.2° |
| C | N7 | C36 | H34 | 57.7° | 63.2° |
| C | N7 | C36 | H35 | 62.1° | 56.8° |
| C | C1 | C2 | N6 | 56.4° | 54.7° |
| C | C1 | C2 | H16 | 120.6° | 119.9° |
| C | C1 | C2 | H17 | 120.6° | 120.0° |
| C1 | C | N7 | C30 | 68.4° | 59.9° |
| C | C1 | C2 | H14 | 176.5° | 65.2° |
| C | C1 | C2 | H15 | 63.7° | 174.6° |
| C | C1 | H16 | H17 | 118.2° | 120.1° |
| C1 | C | C4 | H20 | 174.9° | 178.7° |
| C1 | C | C4 | H21 | 66.5° | 58.5° |
| C2 | N6 | C6 | C11 | 175.2° | 174.8° |
| N6 | C2 | C1 | H14 | 120.1° | 119.8° |
| N6 | C2 | C1 | H15 | 120.1° | 119.9° |
| C2 | N6 | C6 | O3 | 8.4° | 5.2° |
| N6 | C2 | H14 | H15 | 119.8° | 120.5° |
| N6 | C2 | C1 | H16 | 177.0° | 65.2° |
| N6 | C2 | C1 | H17 | 64.2° | 174.6° |
| C2 | N6 | C3 | H18 | 175.8° | 173.4° |
| C2 | N6 | C3 | H19 | 64.2° | 66.2° |
| N6 | C6 | C11 | O3 | 176.5° | 180.0° |
| N6 | C6 | C11 | C16 | 126.2° | 33.9° |
| C6 | N6 | C2 | C1 | 123.9° | 126.4° |
| C6 | N6 | C2 | H14 | 3.9° | 113.8° |
| C6 | N6 | C2 | H15 | 116.0° | 6.6° |
| C6 | N6 | C3 | H18 | 4.7° | 6.6° |
| C6 | N6 | C3 | H19 | 115.3° | 113.8° |
| C6 | C11 | C16 | C15 | 178.6° | 180.0° |
| C6 | C11 | C12 | H11 | 1.0° | 0.1° |
| C6 | C11 | C16 | H13 | 1.4° | 0.0° |
| C11 | C16 | C15 | H13 | 180.0° | 179.9° |
| C16 | C11 | C6 | O3 | 50.3° | 146.1° |
| C16 | C11 | C12 | H11 | 179.5° | 179.9° |
| C11 | C16 | C15 | H12 | 178.1° | 180.0° |
| N1 | C19 | C20 | N3 | 178.1° | 177.0° |
| N1 | C19 | C20 | N2 | 9.2° | 4.1° |
| C19 | N1 | C27 | O1 | 170.3° | 178.9° |
| C19 | N1 | C27 | C26 | 8.9° | 1.4° |
| C19 | N1 | C28 | H1 | 180.0° | 180.0° |
| C19 | N1 | C28 | H2 | 60.0° | 60.0° |
| C19 | N1 | C28 | H3 | 60.0° | 60.1° |
| N1 | C19 | C18 | H4 | 1.6° | 2.0° |
| C19 | C20 | N3 | N2 | 173.3° | 178.9° |
| C20 | C19 | N1 | C27 | 49.1° | 40.0° |
| C19 | C20 | N2 | C21 | 54.4° | 61.7° |
| C19 | C20 | N2 | C29 | 146.0° | 118.4° |
| C20 | C19 | C18 | H4 | 176.1° | 178.4° |
| C35 | N8 | C37 | C33 | 118.8° | 123.8° |
| C35 | N8 | C33 | C30 | 59.4° | 59.3° |
| C35 | N8 | C33 | H29 | 179.5° | 60.7° |
| C35 | N8 | C33 | H30 | 60.8° | 179.3° |
| N8 | C35 | H32 | H33 | 120.3° | 120.1° |
| N8 | C35 | C36 | H34 | 176.2° | 61.6° |
| N8 | C35 | C36 | H35 | 56.4° | 178.4° |
| C35 | N8 | C37 | H36 | 180.0° | 176.2° |
| C35 | N8 | C37 | H37 | 60.0° | 56.2° |
| C35 | N8 | C37 | H38 | 60.0° | 63.8° |
| C1 | C2 | H14 | H15 | 119.7° | 120.2° |
| C2 | C1 | H16 | H17 | 118.2° | 120.1° |
| C2 | C1 | C | H22 | 63.6° | 58.7° |
| C37 | N8 | C33 | C30 | 179.8° | 176.8° |
| C37 | N8 | C33 | H29 | 60.1° | 63.2° |
| C37 | N8 | C33 | H30 | 59.6° | 56.8° |
| C37 | N8 | C35 | H32 | 59.6° | 63.2° |
| C37 | N8 | C35 | H33 | 60.5° | 56.8° |
| N8 | C37 | H36 | H37 | 120.0° | 120.0° |
| N8 | C37 | H36 | H38 | 120.0° | 120.0° |
| N8 | C37 | H37 | H38 | 120.0° | 120.0° |
| N8 | C33 | C30 | N7 | 59.7° | 58.4° |
| N8 | C33 | C30 | H29 | 120.1° | 120.0° |
| N8 | C33 | C30 | H30 | 120.2° | 120.0° |
| N8 | C33 | C30 | H27 | 179.9° | 178.4° |
| N8 | C33 | C30 | H28 | 60.5° | 61.5° |
| N8 | C33 | H29 | H30 | 119.6° | 120.0° |
| C33 | N8 | C35 | H32 | 179.2° | 60.7° |
| C33 | N8 | C35 | H33 | 59.1° | 179.3° |
| C33 | N8 | C37 | H36 | 61.2° | 60.0° |
| C33 | N8 | C37 | H37 | 178.8° | 180.0° |
| C33 | N8 | C37 | H38 | 58.8° | 60.0° |
| N3 | C20 | N2 | C21 | 118.7° | 117.3° |
| N3 | C20 | N2 | C29 | 40.9° | 62.7° |
| N7 | C30 | C33 | H27 | 120.2° | 120.0° |
| N7 | C30 | C33 | H28 | 120.2° | 119.9° |
| C30 | N7 | C | H22 | 52.5° | 60.0° |
| N7 | C30 | H27 | H28 | 119.5° | 120.0° |
| N7 | C30 | C33 | H29 | 179.8° | 61.6° |
| N7 | C30 | C33 | H30 | 60.5° | 178.4° |
| C30 | N7 | C36 | H34 | 178.7° | 60.7° |
| C30 | N7 | C36 | H35 | 58.9° | 179.3° |
| N1 | C27 | O1 | C26 | 179.3° | 179.8° |
| N1 | C27 | C26 | C21 | 34.3° | 38.8° |
| N1 | C27 | C26 | C25 | 147.3° | 141.6° |
| C27 | N1 | C28 | H1 | 2.0° | 0.0° |
| C27 | N1 | C28 | H2 | 122.0° | 119.9° |
| C27 | N1 | C28 | H3 | 118.0° | 120.0° |
| C33 | C30 | H27 | H28 | 119.4° | 120.1° |
| C30 | C33 | H29 | H30 | 119.6° | 120.1° |
| C20 | N2 | C21 | C29 | 159.9° | 179.9° |
| C20 | N2 | C21 | C26 | 54.9° | 59.7° |
| C20 | N2 | C29 | C31 | 38.3° | 57.1° |
| C20 | N2 | C21 | C22 | 119.7° | 117.7° |
| C20 | N2 | C29 | C7 | 159.0° | 60.0° |
| C20 | N2 | C29 | H9 | 81.4° | 178.6° |
| O1 | C27 | C26 | C21 | 146.4° | 141.0° |
| O1 | C27 | C26 | C25 | 31.9° | 38.7° |
| C27 | C26 | C21 | N2 | 4.5° | 5.1° |
| C27 | C26 | C21 | C25 | 178.4° | 179.6° |
| C27 | C26 | C21 | C22 | 179.1° | 177.5° |
| C27 | C26 | C25 | C24 | 178.5° | 178.4° |
| C27 | C26 | C25 | H5 | 1.5° | 1.6° |
| N2 | C21 | C26 | C22 | 174.6° | 177.5° |
| N2 | C21 | C26 | C25 | 177.2° | 175.3° |
| C21 | N2 | C29 | C31 | 163.9° | 122.8° |
| C21 | N2 | C29 | C7 | 43.1° | 120.0° |
| N2 | C21 | C22 | C23 | 178.3° | 175.9° |
| N2 | C21 | C22 | H8 | 1.7° | 4.1° |
| C21 | N2 | C29 | H9 | 76.4° | 1.3° |
| C29 | N2 | C21 | C26 | 145.2° | 120.4° |
| N2 | C29 | C31 | C7 | 124.0° | 119.2° |
| N2 | C29 | C31 | H9 | 120.0° | 121.4° |
| N2 | C29 | C31 | C32 | 161.6° | 95.6° |
| C29 | N2 | C21 | C22 | 40.2° | 62.2° |
| N2 | C29 | C7 | H9 | 120.0° | 121.4° |
| N2 | C29 | C7 | C8 | 150.1° | 119.3° |
| N2 | C29 | C31 | H23 | 79.7° | 145.6° |
| N2 | C29 | C31 | H24 | 42.8° | 23.0° |
| N2 | C29 | C7 | H39 | 31.0° | 0.0° |
| N2 | C29 | C7 | H40 | 90.7° | 121.5° |
| C21 | C26 | C25 | C24 | 0.1° | 1.3° |
| C26 | C21 | C22 | C23 | 3.1° | 1.6° |
| C21 | C26 | C25 | H5 | 179.9° | 178.7° |
| C26 | C21 | C22 | H8 | 176.9° | 178.4° |
| C25 | C26 | C21 | C22 | 2.5° | 2.2° |
| C26 | C25 | C24 | H5 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.9° | 0.3° |
| C26 | C25 | C24 | H6 | 178.1° | 179.8° |
| C29 | C31 | C32 | H23 | 118.7° | 118.7° |
| C29 | C31 | C32 | H24 | 118.8° | 118.7° |
| C31 | C29 | C7 | H9 | 116.1° | 119.4° |
| C29 | C31 | C32 | C8 | 34.3° | 37.9° |
| C31 | C29 | C7 | C8 | 26.2° | 0.0° |
| C29 | C31 | H23 | H24 | 123.5° | 122.6° |
| C31 | C29 | C7 | H39 | 92.9° | 119.3° |
| C31 | C29 | C7 | H40 | 145.4° | 119.3° |
| C29 | C31 | C32 | H49 | 85.1° | 156.3° |
| C29 | C31 | C32 | H50 | 153.6° | 80.4° |
| C32 | C31 | C29 | C7 | 37.6° | 23.6° |
| C31 | C32 | C8 | H49 | 119.4° | 118.3° |
| C31 | C32 | C8 | H50 | 119.4° | 118.3° |
| C31 | C32 | C8 | C7 | 18.9° | 38.0° |
| C32 | C31 | C29 | H9 | 78.4° | 142.9° |
| C32 | C31 | H23 | H24 | 123.5° | 122.6° |
| C31 | C32 | C8 | H41 | 138.6° | 156.6° |
| C31 | C32 | C8 | H42 | 100.8° | 80.8° |
| C31 | C32 | H49 | H50 | 121.9° | 123.3° |
| C21 | C22 | C23 | H8 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.2° | 0.1° |
| C21 | C22 | C23 | H7 | 178.8° | 179.9° |
| C25 | C24 | C23 | C22 | 1.4° | 0.9° |
| C25 | C24 | C23 | H6 | 180.0° | 179.9° |
| C25 | C24 | C23 | H7 | 178.6° | 179.2° |
| C29 | C7 | C8 | C32 | 4.1° | 23.6° |
| C29 | C7 | C8 | H39 | 119.2° | 119.4° |
| C29 | C7 | C8 | H40 | 119.1° | 119.3° |
| C7 | C29 | C31 | H23 | 156.4° | 95.1° |
| C7 | C29 | C31 | H24 | 81.2° | 142.2° |
| C29 | C7 | H39 | H40 | 122.5° | 121.4° |
| C29 | C7 | C8 | H41 | 115.6° | 142.4° |
| C29 | C7 | C8 | H42 | 123.8° | 95.2° |
| C22 | C23 | C24 | H7 | 180.0° | 179.9° |
| C22 | C23 | C24 | H6 | 178.6° | 179.2° |
| C23 | C24 | C25 | H5 | 178.1° | 179.8° |
| C24 | C23 | C22 | H8 | 178.8° | 180.0° |
| C32 | C8 | C7 | H41 | 119.7° | 118.7° |
| C32 | C8 | C7 | H42 | 119.7° | 118.8° |
| C8 | C32 | C31 | H23 | 153.0° | 80.8° |
| C8 | C32 | C31 | H24 | 84.5° | 156.6° |
| C32 | C8 | C7 | H39 | 115.1° | 95.7° |
| C32 | C8 | C7 | H40 | 123.2° | 142.9° |
| C32 | C8 | H41 | H42 | 120.9° | 122.7° |
| C8 | C32 | H49 | H50 | 121.8° | 123.4° |
| C8 | C7 | C29 | H9 | 89.9° | 119.3° |
| C8 | C7 | H39 | H40 | 122.4° | 121.4° |
| C7 | C8 | H41 | H42 | 120.9° | 122.5° |
| C7 | C8 | C32 | H49 | 100.4° | 156.2° |
| C7 | C8 | C32 | H50 | 138.3° | 80.3° |
| H1 | C28 | H2 | H3 | 120.0° | 120.0° |
| H5 | C25 | C24 | H6 | 1.9° | 0.2° |
| H6 | C24 | C23 | H7 | 1.4° | 0.7° |
| H7 | C23 | C22 | H8 | 1.2° | 0.1° |
| H9 | C29 | C31 | H23 | 40.4° | 24.2° |
| H9 | C29 | C31 | H24 | 162.9° | 98.4° |
| H9 | C29 | C7 | H39 | 150.9° | 121.3° |
| H9 | C29 | C7 | H40 | 29.2° | 0.1° |
| H12 | C15 | C16 | H13 | 1.9° | 0.0° |
| H14 | C2 | C1 | H16 | 62.9° | 174.9° |
| H14 | C2 | C1 | H17 | 55.9° | 54.8° |
| H15 | C2 | C1 | H16 | 56.9° | 54.7° |
| H15 | C2 | C1 | H17 | 175.7° | 65.4° |
| H16 | C1 | C | H22 | 57.0° | 178.6° |
| H17 | C1 | C | H22 | 175.8° | 61.3° |
| H18 | C3 | C4 | H20 | 63.8° | 65.6° |
| H18 | C3 | C4 | H21 | 54.8° | 54.5° |
| H19 | C3 | C4 | H20 | 56.1° | 54.8° |
| H19 | C3 | C4 | H21 | 174.8° | 174.9° |
| H20 | C4 | C | H22 | 57.0° | 61.3° |
| H21 | C4 | C | H22 | 175.7° | 178.6° |
| H23 | C31 | C32 | H49 | 33.6° | 37.6° |
| H23 | C31 | C32 | H50 | 87.6° | 160.9° |
| H24 | C31 | C32 | H49 | 156.1° | 85.0° |
| H24 | C31 | C32 | H50 | 34.8° | 38.3° |
| H25 | C5 | C9 | H43 | 61.0° | 60.0° |
| H25 | C5 | C9 | H44 | 59.0° | 179.9° |
| H25 | C5 | C9 | H45 | 179.0° | 60.0° |
| H25 | C5 | C10 | H46 | 61.2° | 59.9° |
| H25 | C5 | C10 | H47 | 178.8° | 60.1° |
| H25 | C5 | C10 | H48 | 58.8° | 180.0° |
| H27 | C30 | C33 | H29 | 60.0° | 58.4° |
| H27 | C30 | C33 | H30 | 59.7° | 61.7° |
| H28 | C30 | C33 | H29 | 59.6° | 178.5° |
| H28 | C30 | C33 | H30 | 179.3° | 58.4° |
| H32 | C35 | C36 | H34 | 56.3° | 178.4° |
| H32 | C35 | C36 | H35 | 63.5° | 58.4° |
| H33 | C35 | C36 | H34 | 63.9° | 58.4° |
| H33 | C35 | C36 | H35 | 176.3° | 61.6° |
| H36 | C37 | H37 | H38 | 120.0° | 120.0° |
| H39 | C7 | C8 | H41 | 125.2° | 23.0° |
| H39 | C7 | C8 | H42 | 4.6° | 145.5° |
| H40 | C7 | C8 | H41 | 3.6° | 98.3° |
| H40 | C7 | C8 | H42 | 117.1° | 24.1° |
| H41 | C8 | C32 | H49 | 19.2° | 85.1° |
| H41 | C8 | C32 | H50 | 102.0° | 38.4° |
| H42 | C8 | C32 | H49 | 139.9° | 37.5° |
| H42 | C8 | C32 | H50 | 18.6° | 160.9° |
| H43 | C9 | H44 | H45 | 119.9° | 120.0° |
| H46 | C10 | H47 | H48 | 120.0° | 120.0° |
