H8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.39Å | Aromatic |
| S | C7 | sing | 1.71Å | 1.74Å | Aromatic |
| N | C7 | doub | 1.28Å | 1.29Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | O | doub | 1.21Å | 1.22Å | |
| C10 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C9 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C24 | C17 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C14 | C25 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C16 | N3 | sing | 1.35Å | 1.33Å | |
| C16 | O2 | doub | 1.21Å | 1.23Å | |
| N3 | C15 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C23 | sing | 1.47Å | 1.48Å | |
| N4 | C20 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C21 | sing | 1.43Å | 1.42Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H55 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H50 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.08Å | 1.08Å | |
| C32 | H48 | sing | 1.08Å | 1.08Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 109.9° | 109.5° |
| C | C1 | C3 | 112.7° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C | C1 | H5 | 106.4° | 109.5° |
| C2 | C1 | C3 | 114.4° | 109.5° |
| C2 | C1 | H5 | 106.4° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C3 | C32 | 120.1° | 120.0° |
| C1 | C3 | C4 | 120.9° | 119.9° |
| C3 | C1 | H5 | 106.4° | 109.5° |
| C32 | C3 | C4 | 119.0° | 120.1° |
| C3 | C32 | C31 | 121.5° | 120.8° |
| C3 | C32 | H48 | 119.2° | 119.6° |
| C3 | C4 | C5 | 119.5° | 119.9° |
| C3 | C4 | H9 | 120.2° | 120.0° |
| C32 | C31 | C6 | 119.3° | 120.5° |
| C32 | C31 | H47 | 120.3° | 119.8° |
| C31 | C32 | H48 | 119.2° | 119.6° |
| C4 | C5 | C6 | 121.7° | 120.3° |
| C4 | C5 | S | 128.8° | 131.7° |
| C5 | C4 | H9 | 120.2° | 120.1° |
| C31 | C6 | C5 | 118.9° | 118.5° |
| C31 | C6 | N | 126.2° | 129.7° |
| C6 | C31 | H47 | 120.4° | 119.8° |
| C6 | C5 | S | 109.5° | 108.0° |
| C5 | C6 | N | 114.9° | 111.8° |
| C5 | S | C7 | 89.0° | 90.8° |
| C6 | N | C7 | 110.5° | 117.9° |
| S | C7 | N | 116.1° | 111.5° |
| S | C7 | C8 | 120.1° | 124.2° |
| N | C7 | C8 | 123.7° | 124.3° |
| C7 | C8 | C9 | 115.2° | 109.5° |
| C7 | C8 | H10 | 108.0° | 109.5° |
| C7 | C8 | H11 | 108.0° | 109.5° |
| C10 | C11 | C12 | 112.3° | 109.4° |
| C11 | C10 | O | 120.9° | 120.0° |
| C11 | C10 | N1 | 116.3° | 120.0° |
| C10 | C11 | H13 | 108.8° | 109.5° |
| C10 | C11 | H14 | 108.7° | 109.5° |
| C12 | C11 | H13 | 108.7° | 109.4° |
| C12 | C11 | H14 | 108.8° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| O | C10 | N1 | 122.8° | 120.0° |
| C10 | N1 | C9 | 123.4° | 120.0° |
| C10 | N1 | H12 | 118.3° | 120.0° |
| N1 | C9 | C8 | 111.8° | 109.4° |
| N1 | C9 | C13 | 111.0° | 109.5° |
| C9 | N1 | H12 | 118.3° | 120.0° |
| N1 | C9 | H | 109.0° | 109.5° |
| C8 | C9 | C13 | 108.7° | 109.5° |
| C9 | C8 | H10 | 108.0° | 109.5° |
| C9 | C8 | H11 | 108.0° | 109.5° |
| C8 | C9 | H | 108.1° | 109.5° |
| C9 | C13 | O3 | 120.0° | 120.0° |
| C9 | C13 | N2 | 117.1° | 120.0° |
| C13 | C9 | H | 108.1° | 109.5° |
| O3 | C13 | N2 | 122.9° | 120.0° |
| C13 | N2 | C14 | 122.1° | 120.0° |
| C13 | N2 | H18 | 118.9° | 120.1° |
| N2 | C14 | C25 | 111.6° | 109.5° |
| N2 | C14 | C15 | 109.6° | 109.4° |
| C14 | N2 | H18 | 119.0° | 120.0° |
| N2 | C14 | H1 | 107.8° | 109.5° |
| C24 | C17 | C16 | 105.0° | 109.5° |
| C24 | C17 | C18 | 106.2° | 109.5° |
| C24 | C17 | H55 | 109.6° | 109.5° |
| C17 | C24 | H35 | 109.5° | 109.5° |
| C17 | C24 | H34 | 109.5° | 109.4° |
| C17 | C24 | H50 | 109.5° | 109.5° |
| C29 | C30 | C25 | 112.2° | 109.5° |
| C30 | C29 | C28 | 110.9° | 109.5° |
| C29 | C30 | H46 | 108.8° | 109.5° |
| C29 | C30 | H45 | 108.8° | 109.5° |
| C30 | C29 | H44 | 109.1° | 109.5° |
| C30 | C29 | H43 | 109.1° | 109.5° |
| C30 | C25 | C14 | 112.7° | 109.5° |
| C30 | C25 | C26 | 109.2° | 109.5° |
| C30 | C25 | H36 | 107.3° | 109.5° |
| C25 | C30 | H46 | 108.8° | 109.5° |
| C25 | C30 | H45 | 108.8° | 109.5° |
| C29 | C28 | C27 | 110.3° | 109.4° |
| C28 | C29 | H44 | 109.1° | 109.5° |
| C28 | C29 | H43 | 109.1° | 109.5° |
| C29 | C28 | H41 | 109.2° | 109.4° |
| C29 | C28 | H42 | 109.3° | 109.5° |
| C28 | C27 | C26 | 111.3° | 109.4° |
| C27 | C28 | H41 | 109.3° | 109.5° |
| C27 | C28 | H42 | 109.2° | 109.5° |
| C28 | C27 | H39 | 109.0° | 109.4° |
| C28 | C27 | H40 | 109.0° | 109.5° |
| C25 | C14 | C15 | 113.9° | 109.5° |
| C14 | C25 | C26 | 112.8° | 109.4° |
| C25 | C14 | H1 | 106.7° | 109.5° |
| C14 | C25 | H36 | 107.1° | 109.5° |
| C14 | C15 | N3 | 112.3° | 109.5° |
| C15 | C14 | H1 | 107.0° | 109.5° |
| C14 | C15 | H19 | 108.7° | 109.5° |
| C14 | C15 | H20 | 108.8° | 109.4° |
| C16 | C17 | C18 | 116.2° | 109.5° |
| C17 | C16 | N3 | 115.8° | 120.0° |
| C17 | C16 | O2 | 121.9° | 120.0° |
| C16 | C17 | H55 | 109.9° | 109.5° |
| C17 | C18 | C19 | 118.8° | 109.5° |
| C18 | C17 | H55 | 109.6° | 109.4° |
| C17 | C18 | H22 | 107.1° | 109.5° |
| C17 | C18 | H23 | 107.1° | 109.4° |
| C25 | C26 | C27 | 111.7° | 109.5° |
| C26 | C25 | H36 | 107.4° | 109.4° |
| C25 | C26 | H38 | 108.9° | 109.5° |
| C25 | C26 | H37 | 108.9° | 109.5° |
| C27 | C26 | H38 | 108.9° | 109.5° |
| C27 | C26 | H37 | 108.9° | 109.4° |
| C26 | C27 | H39 | 109.0° | 109.5° |
| C26 | C27 | H40 | 109.0° | 109.5° |
| N3 | C16 | O2 | 122.3° | 120.0° |
| C16 | N3 | C15 | 122.9° | 120.0° |
| C16 | N3 | H21 | 118.6° | 120.0° |
| C15 | N3 | H21 | 118.6° | 120.0° |
| N3 | C15 | H19 | 108.8° | 109.5° |
| N3 | C15 | H20 | 108.8° | 109.5° |
| C18 | C19 | N4 | 113.8° | 109.5° |
| C19 | C18 | H22 | 107.1° | 109.5° |
| C19 | C18 | H23 | 107.1° | 109.5° |
| C18 | C19 | H25 | 108.4° | 109.5° |
| C18 | C19 | H24 | 108.4° | 109.4° |
| C19 | N4 | C23 | 114.8° | 111.0° |
| C19 | N4 | C20 | 112.3° | 111.0° |
| N4 | C19 | H25 | 108.4° | 109.5° |
| N4 | C19 | H24 | 108.4° | 109.5° |
| C23 | N4 | C20 | 109.9° | 110.7° |
| N4 | C23 | C22 | 110.9° | 109.3° |
| N4 | C23 | H33 | 109.1° | 109.5° |
| N4 | C23 | H32 | 109.1° | 109.5° |
| N4 | C20 | C21 | 110.8° | 109.2° |
| N4 | C20 | H26 | 109.2° | 109.5° |
| N4 | C20 | H27 | 109.1° | 109.5° |
| C23 | C22 | O1 | 112.3° | 109.2° |
| C23 | C22 | H30 | 108.8° | 109.5° |
| C23 | C22 | H31 | 108.8° | 109.6° |
| C22 | C23 | H33 | 109.1° | 109.5° |
| C22 | C23 | H32 | 109.1° | 109.5° |
| C20 | C21 | O1 | 111.9° | 109.3° |
| C21 | C20 | H26 | 109.1° | 109.5° |
| C21 | C20 | H27 | 109.2° | 109.5° |
| C20 | C21 | H29 | 108.9° | 109.5° |
| C20 | C21 | H28 | 108.9° | 109.5° |
| C22 | O1 | C21 | 110.3° | 113.8° |
| O1 | C22 | H30 | 108.8° | 109.5° |
| O1 | C22 | H31 | 108.8° | 109.5° |
| O1 | C21 | H29 | 108.8° | 109.5° |
| O1 | C21 | H28 | 108.9° | 109.5° |
| H2 | C | H4 | 109.4° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H7 | C2 | H6 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.4° | 109.5° |
| H6 | C2 | H8 | 109.4° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.4° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H19 | C15 | H20 | 109.4° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H25 | C19 | H24 | 109.4° | 109.5° |
| H26 | C20 | H27 | 109.4° | 109.6° |
| H29 | C21 | H28 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H33 | C23 | H32 | 109.5° | 109.5° |
| H35 | C24 | H34 | 109.5° | 109.5° |
| H35 | C24 | H50 | 109.5° | 109.5° |
| H34 | C24 | H50 | 109.5° | 109.5° |
| H38 | C26 | H37 | 109.5° | 109.5° |
| H46 | C30 | H45 | 109.5° | 109.5° |
| H44 | C29 | H43 | 109.5° | 109.4° |
| H41 | C28 | H42 | 109.5° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 128.0° | 120.0° |
| C | C1 | C2 | H5 | 114.8° | 120.0° |
| C | C1 | C3 | H5 | 116.3° | 120.0° |
| C | C1 | C3 | C32 | 77.9° | 60.0° |
| C | C1 | C3 | C4 | 102.3° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C | C1 | C2 | H7 | 180.0° | 60.1° |
| C | C1 | C2 | H6 | 60.0° | 180.0° |
| C | C1 | C2 | H8 | 60.0° | 60.0° |
| C2 | C1 | C3 | H5 | 117.2° | 120.0° |
| C2 | C1 | C3 | C32 | 155.6° | 60.0° |
| C2 | C1 | C3 | C4 | 24.2° | 120.0° |
| C2 | C1 | C | H2 | 180.0° | 60.0° |
| C2 | C1 | C | H4 | 60.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 180.0° |
| C1 | C2 | H7 | H6 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 120.1° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C1 | C3 | C32 | C4 | 179.9° | 180.0° |
| C1 | C3 | C32 | C31 | 179.8° | 180.0° |
| C1 | C3 | C4 | C5 | 178.7° | 180.0° |
| C3 | C1 | C | H2 | 51.1° | 60.0° |
| C3 | C1 | C | H4 | 68.9° | 180.0° |
| C3 | C1 | C | H3 | 171.1° | 60.0° |
| C3 | C1 | C2 | H7 | 52.0° | 59.9° |
| C3 | C1 | C2 | H6 | 172.0° | 60.1° |
| C3 | C1 | C2 | H8 | 68.0° | 180.0° |
| C1 | C3 | C4 | H9 | 1.3° | 0.0° |
| C1 | C3 | C32 | H48 | 0.2° | 0.1° |
| C3 | C32 | C31 | H48 | 180.0° | 179.9° |
| C32 | C3 | C4 | C5 | 1.2° | 0.0° |
| C3 | C32 | C31 | C6 | 1.0° | 0.0° |
| C32 | C3 | C1 | H5 | 38.4° | 180.0° |
| C32 | C3 | C4 | H9 | 178.8° | 180.0° |
| C3 | C32 | C31 | H47 | 178.9° | 180.0° |
| C4 | C3 | C32 | C31 | 0.3° | 0.0° |
| C3 | C4 | C5 | H9 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.9° | 0.0° |
| C3 | C4 | C5 | S | 176.4° | 180.0° |
| C4 | C3 | C1 | H5 | 141.4° | 0.0° |
| C4 | C3 | C32 | H48 | 179.7° | 179.9° |
| C32 | C31 | C6 | H47 | 180.0° | 180.0° |
| C32 | C31 | C6 | C5 | 0.3° | 0.0° |
| C32 | C31 | C6 | N | 178.5° | 180.0° |
| C4 | C5 | C6 | C31 | 1.2° | 0.0° |
| C4 | C5 | C6 | S | 178.6° | 180.0° |
| C4 | C5 | C6 | N | 179.9° | 180.0° |
| C4 | C5 | S | C7 | 179.5° | 180.0° |
| C31 | C6 | C5 | N | 178.9° | 180.0° |
| C31 | C6 | C5 | S | 177.4° | 180.0° |
| C31 | C6 | N | C7 | 177.6° | 180.0° |
| C6 | C31 | C32 | H48 | 179.0° | 179.9° |
| C6 | C5 | S | C7 | 1.1° | 0.0° |
| C5 | C6 | N | C7 | 1.2° | 0.0° |
| C6 | C5 | C4 | H9 | 178.0° | 180.0° |
| C5 | C6 | C31 | H47 | 179.7° | 180.0° |
| S | C5 | C6 | N | 1.5° | 0.0° |
| C5 | S | C7 | N | 0.5° | 0.0° |
| C5 | S | C7 | C8 | 179.7° | 180.0° |
| S | C5 | C4 | H9 | 3.7° | 0.0° |
| C6 | N | C7 | S | 0.3° | 0.0° |
| C6 | N | C7 | C8 | 178.9° | 180.0° |
| N | C6 | C31 | H47 | 1.6° | 0.0° |
| S | C7 | N | C8 | 179.2° | 180.0° |
| S | C7 | C8 | C9 | 90.3° | 90.0° |
| S | C7 | C8 | H10 | 148.9° | 30.0° |
| S | C7 | C8 | H11 | 30.6° | 150.0° |
| N | C7 | C8 | C9 | 90.5° | 90.0° |
| N | C7 | C8 | H10 | 30.3° | 150.0° |
| N | C7 | C8 | H11 | 148.6° | 30.0° |
| C7 | C8 | C9 | N1 | 49.4° | 65.0° |
| C7 | C8 | C9 | H10 | 120.8° | 120.1° |
| C7 | C8 | C9 | H11 | 120.9° | 120.0° |
| C7 | C8 | C9 | C13 | 172.4° | 175.0° |
| C7 | C8 | H10 | H11 | 117.4° | 120.0° |
| C7 | C8 | C9 | H | 70.5° | 55.0° |
| C10 | C11 | C12 | H13 | 120.4° | 120.0° |
| C10 | C11 | C12 | H14 | 120.4° | 120.0° |
| C11 | C10 | O | N1 | 179.7° | 180.0° |
| C11 | C10 | N1 | C9 | 177.1° | 180.0° |
| C11 | C10 | N1 | H12 | 2.9° | 0.0° |
| C10 | C11 | H13 | H14 | 118.7° | 120.1° |
| C10 | C11 | C12 | H15 | 180.0° | 60.0° |
| C10 | C11 | C12 | H16 | 60.0° | 180.0° |
| C10 | C11 | C12 | H17 | 60.0° | 60.0° |
| C12 | C11 | C10 | O | 73.6° | 0.0° |
| C12 | C11 | C10 | N1 | 106.2° | 180.0° |
| C12 | C11 | H13 | H14 | 118.7° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| O | C10 | N1 | C9 | 2.7° | 0.1° |
| O | C10 | N1 | H12 | 177.4° | 180.0° |
| O | C10 | C11 | H13 | 166.0° | 119.9° |
| O | C10 | C11 | H14 | 46.8° | 120.0° |
| C10 | N1 | C9 | H12 | 180.0° | 179.9° |
| C10 | N1 | C9 | C8 | 130.5° | 60.1° |
| C10 | N1 | C9 | C13 | 107.9° | 59.9° |
| C10 | N1 | C9 | H | 11.0° | 180.0° |
| N1 | C10 | C11 | H13 | 14.2° | 60.0° |
| N1 | C10 | C11 | H14 | 133.4° | 60.1° |
| N1 | C9 | C8 | C13 | 122.9° | 120.0° |
| N1 | C9 | C8 | H | 119.9° | 120.0° |
| N1 | C9 | C13 | H | 119.5° | 120.1° |
| N1 | C9 | C13 | O3 | 67.5° | 20.0° |
| N1 | C9 | C13 | N2 | 111.3° | 160.0° |
| N1 | C9 | C8 | H10 | 170.3° | 175.0° |
| N1 | C9 | C8 | H11 | 71.4° | 55.0° |
| C8 | C9 | C13 | H | 117.1° | 120.0° |
| C8 | C9 | C13 | O3 | 55.9° | 100.0° |
| C8 | C9 | C13 | N2 | 125.3° | 80.1° |
| C8 | C9 | N1 | H12 | 49.5° | 120.0° |
| C9 | C8 | H10 | H11 | 117.4° | 120.0° |
| C9 | C13 | O3 | N2 | 178.7° | 179.9° |
| C9 | C13 | N2 | C14 | 171.2° | 180.0° |
| C13 | C9 | N1 | H12 | 72.1° | 120.0° |
| C9 | C13 | N2 | H18 | 8.8° | 0.1° |
| C13 | C9 | C8 | H10 | 66.8° | 55.0° |
| C13 | C9 | C8 | H11 | 51.5° | 65.0° |
| O3 | C13 | N2 | C14 | 7.5° | 0.0° |
| O3 | C13 | N2 | H18 | 172.5° | 179.9° |
| O3 | C13 | C9 | H | 173.0° | 140.0° |
| C13 | N2 | C14 | H18 | 180.0° | 179.9° |
| C13 | N2 | C14 | C25 | 96.8° | 85.0° |
| C13 | N2 | C14 | C15 | 136.1° | 155.0° |
| N2 | C13 | C9 | H | 8.2° | 39.9° |
| C13 | N2 | C14 | H1 | 20.1° | 35.0° |
| N2 | C14 | C25 | C30 | 48.9° | 180.0° |
| N2 | C14 | C25 | C15 | 124.7° | 120.0° |
| N2 | C14 | C25 | H1 | 117.5° | 120.0° |
| N2 | C14 | C15 | H1 | 116.6° | 120.0° |
| N2 | C14 | C25 | C26 | 75.4° | 60.0° |
| N2 | C14 | C15 | N3 | 64.4° | 55.0° |
| N2 | C14 | C15 | H19 | 175.1° | 65.0° |
| N2 | C14 | C15 | H20 | 56.0° | 175.1° |
| N2 | C14 | C25 | H36 | 166.7° | 59.9° |
| C24 | C17 | C16 | C18 | 117.0° | 120.1° |
| C24 | C17 | C16 | H55 | 117.9° | 120.0° |
| C24 | C17 | C18 | H55 | 118.3° | 120.0° |
| C24 | C17 | C16 | N3 | 124.0° | 60.0° |
| C24 | C17 | C16 | O2 | 54.6° | 120.0° |
| C24 | C17 | C18 | C19 | 147.8° | 65.0° |
| C24 | C17 | C18 | H22 | 26.5° | 175.0° |
| C24 | C17 | C18 | H23 | 90.9° | 55.0° |
| C17 | C24 | H35 | H34 | 120.0° | 120.0° |
| C17 | C24 | H35 | H50 | 120.0° | 120.0° |
| C17 | C24 | H34 | H50 | 120.0° | 120.0° |
| C29 | C30 | C25 | H46 | 120.4° | 120.0° |
| C29 | C30 | C25 | H45 | 120.4° | 120.0° |
| C30 | C29 | C28 | H44 | 120.2° | 120.0° |
| C30 | C29 | C28 | H43 | 120.2° | 120.0° |
| C30 | C29 | C28 | C27 | 56.4° | 60.0° |
| C29 | C30 | C25 | C14 | 178.5° | 180.0° |
| C29 | C30 | C25 | C26 | 55.3° | 60.0° |
| C29 | C30 | C25 | H36 | 60.8° | 60.0° |
| C29 | C30 | H46 | H45 | 118.7° | 120.0° |
| C30 | C29 | H44 | H43 | 119.4° | 120.0° |
| C30 | C29 | C28 | H41 | 176.5° | 180.0° |
| C30 | C29 | C28 | H42 | 63.7° | 60.0° |
| C25 | C30 | C29 | C28 | 56.8° | 60.0° |
| C30 | C25 | C14 | C26 | 124.3° | 120.0° |
| C30 | C25 | C14 | H36 | 117.8° | 120.0° |
| C30 | C25 | C14 | C15 | 173.6° | 60.0° |
| C30 | C25 | C26 | H36 | 116.1° | 120.0° |
| C30 | C25 | C26 | C27 | 55.2° | 60.0° |
| C30 | C25 | C14 | H1 | 68.6° | 60.0° |
| C30 | C25 | C26 | H38 | 65.2° | 60.0° |
| C30 | C25 | C26 | H37 | 175.5° | 180.0° |
| C25 | C30 | H46 | H45 | 118.8° | 120.0° |
| C25 | C30 | C29 | H44 | 63.5° | 60.0° |
| C25 | C30 | C29 | H43 | 177.0° | 180.0° |
| C29 | C28 | C27 | H41 | 120.1° | 119.9° |
| C29 | C28 | C27 | H42 | 120.1° | 120.0° |
| C29 | C28 | C27 | C26 | 56.7° | 60.0° |
| C28 | C29 | C30 | H46 | 63.7° | 180.0° |
| C28 | C29 | C30 | H45 | 177.2° | 60.0° |
| C28 | C29 | H44 | H43 | 119.3° | 120.0° |
| C29 | C28 | H41 | H42 | 119.6° | 120.0° |
| C29 | C28 | C27 | H39 | 63.6° | 180.0° |
| C29 | C28 | C27 | H40 | 177.0° | 60.0° |
| C28 | C27 | C26 | C25 | 57.0° | 60.0° |
| C28 | C27 | C26 | H39 | 120.3° | 119.9° |
| C28 | C27 | C26 | H40 | 120.3° | 120.0° |
| C28 | C27 | C26 | H38 | 63.3° | 60.0° |
| C28 | C27 | C26 | H37 | 177.3° | 180.0° |
| C27 | C28 | C29 | H44 | 63.9° | 60.0° |
| C27 | C28 | C29 | H43 | 176.6° | 179.9° |
| C27 | C28 | H41 | H42 | 119.6° | 120.0° |
| C28 | C27 | H39 | H40 | 119.2° | 120.0° |
| C25 | C14 | C15 | H1 | 117.6° | 120.0° |
| C14 | C25 | C26 | H36 | 117.7° | 120.0° |
| C14 | C25 | C26 | C27 | 178.6° | 180.0° |
| C25 | C14 | C15 | N3 | 169.7° | 175.0° |
| C25 | C14 | N2 | H18 | 83.2° | 95.1° |
| C25 | C14 | C15 | H19 | 49.3° | 55.0° |
| C25 | C14 | C15 | H20 | 69.8° | 64.9° |
| C14 | C25 | C26 | H38 | 61.0° | 60.0° |
| C14 | C25 | C26 | H37 | 58.3° | 60.0° |
| C14 | C25 | C30 | H46 | 61.1° | 60.0° |
| C14 | C25 | C30 | H45 | 58.1° | 60.0° |
| C15 | C14 | C25 | C26 | 49.3° | 180.0° |
| C14 | C15 | N3 | C16 | 140.3° | 180.0° |
| C14 | C15 | N3 | H19 | 120.4° | 120.0° |
| C14 | C15 | N3 | H20 | 120.4° | 120.0° |
| C15 | C14 | N2 | H18 | 43.9° | 24.9° |
| C14 | C15 | N3 | H21 | 39.7° | 0.0° |
| C14 | C15 | H19 | H20 | 118.7° | 119.9° |
| C15 | C14 | C25 | H36 | 68.6° | 60.1° |
| C16 | C17 | C18 | H55 | 125.3° | 120.0° |
| C17 | C16 | N3 | O2 | 178.7° | 179.9° |
| C17 | C16 | N3 | C15 | 176.9° | 180.0° |
| C16 | C17 | C18 | C19 | 31.5° | 175.0° |
| C17 | C16 | N3 | H21 | 3.0° | 0.0° |
| C16 | C17 | C18 | H22 | 89.8° | 54.9° |
| C16 | C17 | C18 | H23 | 152.8° | 65.0° |
| C16 | C17 | C24 | H35 | 180.0° | 60.0° |
| C16 | C17 | C24 | H34 | 60.0° | 60.0° |
| C16 | C17 | C24 | H50 | 60.0° | 180.0° |
| C18 | C17 | C16 | N3 | 119.0° | 180.0° |
| C18 | C17 | C16 | O2 | 62.3° | 0.1° |
| C17 | C18 | C19 | H22 | 121.3° | 120.1° |
| C17 | C18 | C19 | H23 | 121.3° | 120.0° |
| C17 | C18 | C19 | N4 | 80.6° | 179.9° |
| C17 | C18 | H22 | H23 | 115.8° | 119.9° |
| C17 | C18 | C19 | H25 | 40.0° | 60.0° |
| C17 | C18 | C19 | H24 | 158.7° | 59.9° |
| C18 | C17 | C24 | H35 | 56.4° | 60.0° |
| C18 | C17 | C24 | H34 | 63.6° | 180.0° |
| C18 | C17 | C24 | H50 | 176.4° | 60.0° |
| C25 | C26 | C27 | H38 | 120.3° | 120.0° |
| C25 | C26 | C27 | H37 | 120.3° | 120.0° |
| C26 | C25 | C14 | H1 | 167.1° | 60.0° |
| C25 | C26 | H38 | H37 | 119.0° | 120.0° |
| C26 | C25 | C30 | H46 | 65.1° | 180.0° |
| C26 | C25 | C30 | H45 | 175.7° | 60.0° |
| C25 | C26 | C27 | H39 | 63.3° | 179.9° |
| C25 | C26 | C27 | H40 | 177.3° | 60.0° |
| C27 | C26 | C25 | H36 | 60.9° | 60.0° |
| C27 | C26 | H38 | H37 | 119.0° | 120.0° |
| C26 | C27 | C28 | H41 | 176.9° | 180.0° |
| C26 | C27 | C28 | H42 | 63.4° | 60.0° |
| C26 | C27 | H39 | H40 | 119.2° | 120.0° |
| C16 | N3 | C15 | H21 | 180.0° | 180.0° |
| C16 | N3 | C15 | H19 | 99.3° | 60.0° |
| C16 | N3 | C15 | H20 | 19.8° | 60.0° |
| N3 | C16 | C17 | H55 | 6.2° | 60.0° |
| O2 | C16 | N3 | C15 | 1.7° | 0.0° |
| O2 | C16 | N3 | H21 | 178.3° | 180.0° |
| O2 | C16 | C17 | H55 | 172.5° | 120.0° |
| N3 | C15 | C14 | H1 | 52.1° | 65.0° |
| N3 | C15 | H19 | H20 | 118.7° | 120.1° |
| C18 | C19 | N4 | H25 | 120.7° | 120.0° |
| C18 | C19 | N4 | H24 | 120.7° | 120.0° |
| C18 | C19 | N4 | C23 | 72.6° | 170.0° |
| C18 | C19 | N4 | C20 | 160.9° | 66.4° |
| C19 | C18 | C17 | H55 | 93.9° | 55.0° |
| C19 | C18 | H22 | H23 | 115.8° | 120.0° |
| C18 | C19 | H25 | H24 | 118.0° | 120.0° |
| C19 | N4 | C23 | C20 | 127.7° | 123.8° |
| C19 | N4 | C23 | C22 | 64.9° | 177.6° |
| C19 | N4 | C20 | C21 | 98.2° | 177.6° |
| N4 | C19 | C18 | H22 | 158.1° | 60.0° |
| N4 | C19 | C18 | H23 | 40.7° | 60.0° |
| N4 | C19 | H25 | H24 | 118.0° | 120.0° |
| C19 | N4 | C20 | H26 | 141.6° | 57.7° |
| C19 | N4 | C20 | H27 | 22.0° | 62.5° |
| C19 | N4 | C23 | H33 | 55.4° | 62.4° |
| C19 | N4 | C23 | H32 | 174.9° | 57.6° |
| N4 | C23 | C22 | H33 | 120.2° | 120.0° |
| N4 | C23 | C22 | H32 | 120.2° | 120.0° |
| C23 | N4 | C20 | C21 | 30.9° | 58.6° |
| N4 | C23 | C22 | O1 | 28.9° | 56.8° |
| C23 | N4 | C19 | H25 | 166.8° | 50.0° |
| C23 | N4 | C19 | H24 | 48.1° | 70.0° |
| C23 | N4 | C20 | H26 | 89.3° | 178.5° |
| C23 | N4 | C20 | H27 | 151.1° | 61.3° |
| N4 | C23 | C22 | H30 | 91.5° | 63.1° |
| N4 | C23 | C22 | H31 | 149.4° | 176.8° |
| N4 | C23 | H33 | H32 | 119.3° | 120.1° |
| C20 | N4 | C23 | C22 | 62.8° | 58.6° |
| N4 | C20 | C21 | H26 | 120.2° | 119.9° |
| N4 | C20 | C21 | H27 | 120.2° | 119.9° |
| N4 | C20 | C21 | O1 | 32.0° | 56.8° |
| C20 | N4 | C19 | H25 | 40.3° | 173.6° |
| C20 | N4 | C19 | H24 | 78.4° | 53.6° |
| N4 | C20 | H26 | H27 | 119.4° | 120.1° |
| N4 | C20 | C21 | H29 | 88.3° | 176.8° |
| N4 | C20 | C21 | H28 | 152.4° | 63.1° |
| C20 | N4 | C23 | H33 | 176.9° | 61.4° |
| C20 | N4 | C23 | H32 | 57.4° | 178.5° |
| C23 | C22 | O1 | H30 | 120.4° | 119.9° |
| C23 | C22 | O1 | H31 | 120.4° | 120.0° |
| C23 | C22 | O1 | C21 | 34.1° | 58.6° |
| C23 | C22 | H30 | H31 | 118.7° | 120.2° |
| C22 | C23 | H33 | H32 | 119.4° | 120.0° |
| C20 | C21 | O1 | C22 | 67.6° | 58.6° |
| C20 | C21 | O1 | H29 | 120.3° | 120.0° |
| C20 | C21 | O1 | H28 | 120.4° | 119.9° |
| C21 | C20 | H26 | H27 | 119.4° | 120.1° |
| C20 | C21 | H29 | H28 | 118.9° | 120.1° |
| C22 | O1 | C21 | H29 | 52.8° | 178.6° |
| C22 | O1 | C21 | H28 | 172.0° | 61.3° |
| O1 | C22 | H30 | H31 | 118.7° | 120.1° |
| O1 | C22 | C23 | H33 | 149.2° | 63.1° |
| O1 | C22 | C23 | H32 | 91.3° | 176.8° |
| O1 | C21 | C20 | H26 | 152.3° | 176.7° |
| O1 | C21 | C20 | H27 | 88.2° | 63.1° |
| O1 | C21 | H29 | H28 | 118.9° | 120.1° |
| C21 | O1 | C22 | H30 | 154.5° | 61.3° |
| C21 | O1 | C22 | H31 | 86.3° | 178.6° |
| H2 | C | H4 | H3 | 119.9° | 120.0° |
| H2 | C | C1 | H5 | 65.2° | NaN° |
| H4 | C | C1 | H5 | 174.8° | 60.0° |
| H3 | C | C1 | H5 | 54.8° | 60.0° |
| H5 | C1 | C2 | H7 | 65.2° | 180.0° |
| H5 | C1 | C2 | H6 | 54.8° | 60.0° |
| H5 | C1 | C2 | H8 | 174.8° | 60.0° |
| H12 | N1 | C9 | H | 169.0° | 0.0° |
| H7 | C2 | H6 | H8 | 119.9° | 120.0° |
| H18 | N2 | C14 | H1 | 160.0° | 144.9° |
| H21 | N3 | C15 | H19 | 80.7° | 120.0° |
| H21 | N3 | C15 | H20 | 160.1° | 120.0° |
| H10 | C8 | C9 | H | 50.3° | 65.0° |
| H11 | C8 | C9 | H | 168.6° | 175.0° |
| H13 | C11 | C12 | H15 | 59.6° | 60.0° |
| H13 | C11 | C12 | H16 | 179.6° | 60.0° |
| H13 | C11 | C12 | H17 | 60.4° | 180.0° |
| H14 | C11 | C12 | H15 | 59.6° | 180.0° |
| H14 | C11 | C12 | H16 | 60.4° | 60.0° |
| H14 | C11 | C12 | H17 | 179.6° | 60.0° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H1 | C14 | C15 | H19 | 68.3° | 175.0° |
| H1 | C14 | C15 | H20 | 172.6° | 55.1° |
| H1 | C14 | C25 | H36 | 49.2° | 179.9° |
| H55 | C17 | C18 | H22 | 144.8° | 65.0° |
| H55 | C17 | C18 | H23 | 27.5° | 175.0° |
| H55 | C17 | C24 | H35 | 61.9° | 180.0° |
| H55 | C17 | C24 | H34 | 178.1° | 60.0° |
| H55 | C17 | C24 | H50 | 58.1° | 60.0° |
| H22 | C18 | C19 | H25 | 81.3° | 60.0° |
| H22 | C18 | C19 | H24 | 37.4° | 180.0° |
| H23 | C18 | C19 | H25 | 161.4° | 180.0° |
| H23 | C18 | C19 | H24 | 79.9° | 60.0° |
| H26 | C20 | C21 | H29 | 31.9° | 63.3° |
| H26 | C20 | C21 | H28 | 87.4° | 56.8° |
| H27 | C20 | C21 | H29 | 151.5° | 56.9° |
| H27 | C20 | C21 | H28 | 32.2° | 177.0° |
| H30 | C22 | C23 | H33 | 28.7° | 177.0° |
| H30 | C22 | C23 | H32 | 148.3° | 56.9° |
| H31 | C22 | C23 | H33 | 90.4° | 56.8° |
| H31 | C22 | C23 | H32 | 29.2° | 63.2° |
| H35 | C24 | H34 | H50 | 120.0° | 120.0° |
| H36 | C25 | C26 | H38 | 178.8° | 180.0° |
| H36 | C25 | C26 | H37 | 59.4° | 60.0° |
| H36 | C25 | C30 | H46 | 178.8° | 60.0° |
| H36 | C25 | C30 | H45 | 59.6° | 180.0° |
| H38 | C26 | C27 | H39 | 176.4° | 59.9° |
| H38 | C26 | C27 | H40 | 56.9° | 180.0° |
| H37 | C26 | C27 | H39 | 57.1° | 60.1° |
| H37 | C26 | C27 | H40 | 62.4° | 60.0° |
| H47 | C31 | C32 | H48 | 1.1° | 0.1° |
| H46 | C30 | C29 | H44 | 176.1° | 60.0° |
| H46 | C30 | C29 | H43 | 56.5° | 60.0° |
| H45 | C30 | C29 | H44 | 56.9° | 180.0° |
| H45 | C30 | C29 | H43 | 62.6° | 60.0° |
| H44 | C29 | C28 | H41 | 56.3° | 60.0° |
| H44 | C29 | C28 | H42 | 176.0° | 180.0° |
| H43 | C29 | C28 | H41 | 63.3° | 60.0° |
| H43 | C29 | C28 | H42 | 56.5° | 60.1° |
| H41 | C28 | C27 | H39 | 56.6° | 60.1° |
| H41 | C28 | C27 | H40 | 62.9° | 60.0° |
| H42 | C28 | C27 | H39 | 176.3° | 60.0° |
| H42 | C28 | C27 | H40 | 56.9° | 180.0° |
