8I0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C30 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C11 | sing | 1.53Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.46Å | 1.45Å | |
| C13 | C16 | sing | 1.54Å | 1.53Å | |
| C13 | N13 | sing | 1.48Å | 1.46Å | |
| C16 | C34 | sing | 1.54Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| O29 | C9 | doub | 1.22Å | 1.22Å | |
| O38 | C15 | doub | 1.21Å | 1.23Å | |
| C11 | N10 | sing | 1.46Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N2 | C1 | sing | 1.35Å | 1.35Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| N13 | C14 | sing | 1.48Å | 1.44Å | |
| C34 | C18 | sing | 1.53Å | 1.53Å | |
| C34 | C14 | sing | 1.54Å | 1.52Å | |
| C9 | N10 | sing | 1.35Å | 1.31Å | |
| C9 | N8 | sing | 1.35Å | 1.34Å | |
| C28 | C7 | sing | 1.53Å | 1.52Å | |
| C25 | C18 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C15 | N16 | sing | 1.35Å | 1.32Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C12 | O33 | doub | 1.21Å | 1.24Å | |
| C18 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C27 | C7 | sing | 1.53Å | 1.52Å | |
| O1 | C8 | sing | 1.43Å | 1.44Å | |
| C1 | C8 | sing | 1.51Å | 1.50Å | |
| C1 | O5 | doub | 1.21Å | 1.23Å | |
| C17 | N16 | sing | 1.46Å | 1.45Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C7 | N8 | sing | 1.46Å | 1.45Å | |
| C7 | C29 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C24 | sing | 1.51Å | 1.49Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.21Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.08Å | 1.08Å | |
| C5 | H44 | sing | 1.08Å | 1.08Å | |
| C6 | H45 | sing | 1.08Å | 1.08Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å | |
| N10 | H47 | sing | 0.97Å | 1.00Å | |
| N16 | H48 | sing | 0.97Å | 1.00Å | |
| N2 | H49 | sing | 0.97Å | 1.00Å | |
| N23 | H50 | sing | 0.97Å | 1.00Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| O1 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C6 | C5 | 119.6° | 120.0° |
| C6 | C10 | C33 | 120.8° | 120.0° |
| C6 | C10 | H1 | 119.6° | 120.0° |
| C10 | C6 | H45 | 120.2° | 120.0° |
| C6 | C5 | C4 | 119.9° | 120.0° |
| C6 | C5 | H44 | 120.0° | 120.0° |
| C5 | C6 | H45 | 120.2° | 120.0° |
| C10 | C33 | C2 | 119.5° | 120.0° |
| C33 | C10 | H1 | 119.6° | 120.0° |
| C10 | C33 | H41 | 120.3° | 120.0° |
| C5 | C4 | C2 | 120.3° | 120.0° |
| C5 | C4 | H43 | 119.8° | 120.0° |
| C4 | C5 | H44 | 120.1° | 120.0° |
| C33 | C2 | C4 | 119.9° | 120.0° |
| C33 | C2 | C3 | 120.2° | 120.0° |
| C2 | C33 | H41 | 120.2° | 120.0° |
| C4 | C2 | C3 | 119.9° | 120.0° |
| C2 | C4 | H43 | 119.8° | 120.0° |
| C26 | C30 | C31 | 109.7° | 109.5° |
| C26 | C30 | C11 | 108.6° | 109.4° |
| C26 | C30 | C32 | 105.7° | 109.5° |
| C30 | C26 | H21 | 109.5° | 109.5° |
| C30 | C26 | H22 | 109.5° | 109.4° |
| C30 | C26 | H23 | 109.4° | 109.5° |
| C2 | C3 | N2 | 108.3° | 109.5° |
| C2 | C3 | H33 | 109.8° | 109.5° |
| C2 | C3 | H34 | 109.8° | 109.5° |
| C31 | C30 | C11 | 110.4° | 109.5° |
| C31 | C30 | C32 | 111.7° | 109.5° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.4° |
| C30 | C31 | H37 | 109.5° | 109.4° |
| C11 | C30 | C32 | 110.6° | 109.4° |
| C30 | C11 | N10 | 108.6° | 109.5° |
| C30 | C11 | C12 | 115.9° | 109.5° |
| C30 | C11 | H2 | 107.8° | 109.5° |
| C30 | C32 | H38 | 109.5° | 109.4° |
| C30 | C32 | H39 | 109.5° | 109.5° |
| C30 | C32 | H40 | 109.5° | 109.5° |
| C3 | N2 | C1 | 125.8° | 120.0° |
| N2 | C3 | H33 | 109.8° | 109.5° |
| N2 | C3 | H34 | 109.8° | 109.5° |
| C3 | N2 | H49 | 117.1° | 120.0° |
| C16 | C13 | N13 | 106.4° | 104.6° |
| C13 | C16 | C34 | 107.0° | 104.9° |
| C13 | C16 | C18 | 114.7° | 118.1° |
| C16 | C13 | H3 | 110.2° | 110.5° |
| C16 | C13 | H4 | 110.2° | 110.4° |
| C13 | C16 | H6 | 120.0° | 117.6° |
| C13 | N13 | C12 | 129.3° | 127.8° |
| C13 | N13 | C14 | 112.1° | 104.3° |
| N13 | C13 | H3 | 110.2° | 110.4° |
| N13 | C13 | H4 | 110.2° | 110.3° |
| C34 | C16 | C18 | 60.1° | 59.7° |
| C16 | C34 | C18 | 60.4° | 59.7° |
| C16 | C34 | C14 | 107.0° | 105.0° |
| C34 | C16 | H6 | 120.2° | 121.8° |
| C16 | C34 | H42 | 119.6° | 121.8° |
| C16 | C18 | C34 | 59.5° | 60.6° |
| C16 | C18 | C25 | 113.0° | 117.5° |
| C16 | C18 | C23 | 112.4° | 117.5° |
| C18 | C16 | H6 | 119.9° | 120.3° |
| O29 | C9 | N10 | 117.9° | 119.9° |
| O29 | C9 | N8 | 125.4° | 120.0° |
| O38 | C15 | C14 | 121.0° | 120.0° |
| O38 | C15 | N16 | 124.6° | 120.0° |
| N10 | C11 | C12 | 107.5° | 109.5° |
| C11 | N10 | C9 | 115.2° | 120.0° |
| N10 | C11 | H2 | 109.0° | 109.5° |
| C11 | N10 | H47 | 122.4° | 120.0° |
| C11 | C12 | N13 | 115.7° | 120.0° |
| C11 | C12 | O33 | 120.8° | 119.9° |
| C12 | C11 | H2 | 108.0° | 109.4° |
| N2 | C1 | C8 | 115.1° | 120.0° |
| N2 | C1 | O5 | 127.3° | 120.0° |
| C1 | N2 | H49 | 117.1° | 120.0° |
| C12 | N13 | C14 | 118.5° | 127.9° |
| N13 | C12 | O33 | 123.5° | 120.0° |
| N13 | C14 | C34 | 107.1° | 104.6° |
| N13 | C14 | C15 | 105.8° | 110.5° |
| N13 | C14 | H5 | 111.9° | 110.4° |
| C18 | C34 | C14 | 116.0° | 118.1° |
| C34 | C18 | C25 | 117.8° | 117.4° |
| C34 | C18 | C23 | 124.8° | 117.4° |
| C18 | C34 | H42 | 119.4° | 119.5° |
| C34 | C14 | C15 | 110.0° | 110.4° |
| C34 | C14 | H5 | 110.7° | 110.5° |
| C14 | C34 | H42 | 119.6° | 118.2° |
| N10 | C9 | N8 | 116.7° | 120.1° |
| C9 | N10 | H47 | 122.4° | 120.0° |
| C9 | N8 | C7 | 124.4° | 120.0° |
| C9 | N8 | H51 | 117.8° | 120.0° |
| C28 | C7 | C27 | 113.0° | 109.5° |
| C28 | C7 | N8 | 110.4° | 109.5° |
| C28 | C7 | C29 | 106.5° | 109.5° |
| C7 | C28 | H27 | 109.5° | 109.5° |
| C7 | C28 | H28 | 109.4° | 109.5° |
| C7 | C28 | H29 | 109.5° | 109.4° |
| C25 | C18 | C23 | 114.9° | 115.5° |
| C18 | C25 | H18 | 109.5° | 109.5° |
| C18 | C25 | H19 | 109.4° | 109.5° |
| C18 | C25 | H20 | 109.5° | 109.5° |
| C14 | C15 | N16 | 114.4° | 120.0° |
| C15 | C14 | H5 | 111.2° | 110.4° |
| C15 | N16 | C17 | 122.5° | 120.0° |
| C15 | N16 | H48 | 118.8° | 120.0° |
| C22 | C21 | C20 | 106.0° | 101.8° |
| C21 | C22 | N23 | 105.0° | 105.5° |
| C22 | C21 | H11 | 110.3° | 111.0° |
| C22 | C21 | H12 | 110.3° | 111.0° |
| C21 | C22 | H13 | 110.6° | 110.2° |
| C21 | C22 | H14 | 110.6° | 110.3° |
| C21 | C20 | C19 | 110.2° | 110.5° |
| C21 | C20 | C24 | 103.4° | 104.2° |
| C21 | C20 | H10 | 110.9° | 110.6° |
| C20 | C21 | H11 | 110.3° | 110.9° |
| C20 | C21 | H12 | 110.4° | 111.0° |
| C18 | C23 | H15 | 109.5° | 109.4° |
| C18 | C23 | H16 | 109.5° | 109.5° |
| C18 | C23 | H17 | 109.5° | 109.5° |
| C22 | N23 | C24 | 112.2° | 111.3° |
| N23 | C22 | H13 | 110.6° | 110.2° |
| N23 | C22 | H14 | 110.6° | 110.2° |
| C22 | N23 | H50 | 123.9° | 124.3° |
| C27 | C7 | N8 | 106.5° | 109.5° |
| C27 | C7 | C29 | 108.4° | 109.5° |
| C7 | C27 | H24 | 109.5° | 109.4° |
| C7 | C27 | H25 | 109.5° | 109.5° |
| C7 | C27 | H26 | 109.5° | 109.5° |
| O1 | C8 | C1 | 109.0° | 109.5° |
| O1 | C8 | C17 | 113.7° | 109.4° |
| O1 | C8 | H46 | 108.6° | 109.4° |
| C8 | O1 | H52 | 109.5° | 114.0° |
| C8 | C1 | O5 | 117.6° | 120.0° |
| C1 | C8 | C17 | 110.1° | 109.5° |
| C1 | C8 | H46 | 107.9° | 109.5° |
| N16 | C17 | C8 | 109.8° | 109.5° |
| N16 | C17 | C19 | 106.0° | 109.5° |
| N16 | C17 | H7 | 110.1° | 109.5° |
| C17 | N16 | H48 | 118.7° | 120.0° |
| C8 | C17 | C19 | 112.9° | 109.5° |
| C8 | C17 | H7 | 109.0° | 109.4° |
| C17 | C8 | H46 | 107.5° | 109.5° |
| C17 | C19 | C20 | 109.8° | 109.5° |
| C19 | C17 | H7 | 108.9° | 109.5° |
| C17 | C19 | H8 | 109.4° | 109.5° |
| C17 | C19 | H9 | 109.4° | 109.5° |
| N8 | C7 | C29 | 112.1° | 109.4° |
| C7 | N8 | H51 | 117.8° | 120.0° |
| C7 | C29 | H30 | 109.5° | 109.5° |
| C7 | C29 | H31 | 109.4° | 109.5° |
| C7 | C29 | H32 | 109.4° | 109.5° |
| C19 | C20 | C24 | 109.7° | 110.5° |
| C20 | C19 | H8 | 109.4° | 109.5° |
| C20 | C19 | H9 | 109.4° | 109.4° |
| C19 | C20 | H10 | 110.9° | 110.5° |
| C20 | C24 | N23 | 111.6° | 110.1° |
| C20 | C24 | O26 | 122.1° | 124.9° |
| C24 | C20 | H10 | 111.4° | 110.5° |
| N23 | C24 | O26 | 126.3° | 124.9° |
| C24 | N23 | H50 | 123.9° | 124.4° |
| H3 | C13 | H4 | 109.5° | 110.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 110.9° |
| H13 | C22 | H14 | 109.4° | 110.3° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.4° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H20 | 109.4° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.4° |
| H21 | C26 | H23 | 109.4° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.4° | 109.5° |
| H24 | C27 | H26 | 109.4° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.5° |
| H27 | C28 | H29 | 109.4° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H32 | 109.5° | 109.4° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C3 | H34 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.4° | 109.5° |
| H35 | C31 | H37 | 109.4° | 109.6° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H38 | C32 | H39 | 109.4° | 109.4° |
| H38 | C32 | H40 | 109.5° | 109.4° |
| H39 | C32 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C6 | C5 | H45 | 180.0° | 180.0° |
| C6 | C10 | C33 | H1 | 180.0° | 179.7° |
| C10 | C6 | C5 | C4 | 0.2° | 0.5° |
| C6 | C10 | C33 | C2 | 0.8° | 0.3° |
| C6 | C10 | C33 | H41 | 179.2° | 179.7° |
| C10 | C6 | C5 | H44 | 179.8° | 179.7° |
| C5 | C6 | C10 | C33 | 0.8° | 0.0° |
| C6 | C5 | C4 | H44 | 180.0° | 179.2° |
| C6 | C5 | C4 | C2 | 0.4° | 0.8° |
| C5 | C6 | C10 | H1 | 179.3° | 179.8° |
| C6 | C5 | C4 | H43 | 179.6° | 179.7° |
| C10 | C33 | C2 | H41 | 180.0° | 180.0° |
| C10 | C33 | C2 | C4 | 0.3° | 0.0° |
| C10 | C33 | C2 | C3 | 179.3° | 180.0° |
| C33 | C10 | C6 | H45 | 179.2° | 180.0° |
| C5 | C4 | C2 | C33 | 0.3° | 0.6° |
| C5 | C4 | C2 | H43 | 180.0° | 179.5° |
| C5 | C4 | C2 | C3 | 179.9° | 179.4° |
| C4 | C5 | C6 | H45 | 179.8° | 179.5° |
| C33 | C2 | C4 | C3 | 179.5° | 180.0° |
| C33 | C2 | C3 | N2 | 144.5° | 90.0° |
| C2 | C33 | C10 | H1 | 179.2° | 180.0° |
| C33 | C2 | C3 | H33 | 24.7° | 150.0° |
| C33 | C2 | C3 | H34 | 95.7° | 30.0° |
| C33 | C2 | C4 | H43 | 179.6° | 179.9° |
| C4 | C2 | C3 | N2 | 35.0° | 90.0° |
| C4 | C2 | C3 | H33 | 154.8° | 30.0° |
| C4 | C2 | C3 | H34 | 84.8° | 150.0° |
| C4 | C2 | C33 | H41 | 179.7° | 180.0° |
| C2 | C4 | C5 | H44 | 179.6° | 180.0° |
| C26 | C30 | C31 | C11 | 119.6° | 120.0° |
| C26 | C30 | C31 | C32 | 116.8° | 120.1° |
| C26 | C30 | C11 | C32 | 115.6° | 120.0° |
| C26 | C30 | C11 | N10 | 73.7° | 61.7° |
| C26 | C30 | C11 | C12 | 165.3° | 58.3° |
| C26 | C30 | C11 | H2 | 44.2° | 178.3° |
| C30 | C26 | H21 | H22 | 120.0° | 119.9° |
| C30 | C26 | H21 | H23 | 120.0° | 120.1° |
| C30 | C26 | H22 | H23 | 120.0° | 120.0° |
| C26 | C30 | C31 | H35 | 180.0° | 62.3° |
| C26 | C30 | C31 | H36 | 60.0° | 177.7° |
| C26 | C30 | C31 | H37 | 60.0° | 57.8° |
| C26 | C30 | C32 | H38 | 180.0° | 60.1° |
| C26 | C30 | C32 | H39 | 60.0° | 180.0° |
| C26 | C30 | C32 | H40 | 60.0° | 59.9° |
| C2 | C3 | N2 | H33 | 119.8° | 120.0° |
| C2 | C3 | N2 | H34 | 119.8° | 120.0° |
| C2 | C3 | N2 | C1 | 153.3° | 180.0° |
| C2 | C3 | H33 | H34 | 120.5° | 120.0° |
| C3 | C2 | C33 | H41 | 0.7° | 0.0° |
| C3 | C2 | C4 | H43 | 0.1° | 0.1° |
| C2 | C3 | N2 | H49 | 26.7° | 0.0° |
| C31 | C30 | C11 | C32 | 124.1° | 120.0° |
| C31 | C30 | C11 | N10 | 166.0° | 178.3° |
| C31 | C30 | C11 | C12 | 45.0° | 61.7° |
| C31 | C30 | C11 | H2 | 76.1° | 58.3° |
| C31 | C30 | C26 | H21 | 180.0° | 59.9° |
| C31 | C30 | C26 | H22 | 60.0° | 60.0° |
| C31 | C30 | C26 | H23 | 60.0° | 180.0° |
| C30 | C31 | H35 | H36 | 120.0° | 120.0° |
| C30 | C31 | H35 | H37 | 120.0° | 120.0° |
| C30 | C31 | H36 | H37 | 120.0° | 119.9° |
| C31 | C30 | C32 | H38 | 60.8° | 60.0° |
| C31 | C30 | C32 | H39 | 59.2° | 60.0° |
| C31 | C30 | C32 | H40 | 179.2° | 179.9° |
| C30 | C11 | N10 | C12 | 126.1° | 120.0° |
| C30 | C11 | N10 | H2 | 117.1° | 120.0° |
| C30 | C11 | C12 | H2 | 120.9° | 119.9° |
| C30 | C11 | C12 | N13 | 112.5° | 93.2° |
| C30 | C11 | N10 | C9 | 123.1° | 85.0° |
| C30 | C11 | C12 | O33 | 69.9° | 86.9° |
| C11 | C30 | C26 | H21 | 59.3° | 60.1° |
| C11 | C30 | C26 | H22 | 179.3° | 180.0° |
| C11 | C30 | C26 | H23 | 60.7° | 60.0° |
| C11 | C30 | C31 | H35 | 60.4° | 57.7° |
| C11 | C30 | C31 | H36 | 59.6° | 62.3° |
| C11 | C30 | C31 | H37 | 179.6° | 177.8° |
| C11 | C30 | C32 | H38 | 62.6° | 180.0° |
| C11 | C30 | C32 | H39 | 177.4° | 60.0° |
| C11 | C30 | C32 | H40 | 57.4° | 60.1° |
| C30 | C11 | N10 | H47 | 56.9° | 95.0° |
| C32 | C30 | C11 | N10 | 41.9° | 58.3° |
| C32 | C30 | C11 | C12 | 79.1° | 178.3° |
| C32 | C30 | C11 | H2 | 159.8° | 61.7° |
| C32 | C30 | C26 | H21 | 59.5° | 180.0° |
| C32 | C30 | C26 | H22 | 60.5° | 60.1° |
| C32 | C30 | C26 | H23 | 179.4° | 60.0° |
| C32 | C30 | C31 | H35 | 63.1° | 177.6° |
| C32 | C30 | C31 | H36 | 176.9° | 57.7° |
| C32 | C30 | C31 | H37 | 56.9° | 62.3° |
| C30 | C32 | H38 | H39 | 120.0° | 120.0° |
| C30 | C32 | H38 | H40 | 120.0° | 120.0° |
| C30 | C32 | H39 | H40 | 120.0° | 120.1° |
| C3 | N2 | C1 | H49 | 180.0° | 180.0° |
| C3 | N2 | C1 | C8 | 143.7° | 180.0° |
| C3 | N2 | C1 | O5 | 38.0° | 0.2° |
| N2 | C3 | H33 | H34 | 120.5° | 120.0° |
| C16 | C13 | N13 | H3 | 119.5° | 118.8° |
| C16 | C13 | N13 | H4 | 119.5° | 118.8° |
| C13 | C16 | C34 | C18 | 109.2° | 114.2° |
| C13 | C16 | C34 | H6 | 141.5° | 136.9° |
| C13 | C16 | C18 | H6 | 154.1° | 157.0° |
| C16 | C13 | N13 | C12 | 174.2° | 140.5° |
| C16 | C13 | N13 | C14 | 4.7° | 39.6° |
| C13 | C16 | C34 | C14 | 1.5° | 0.0° |
| C13 | C16 | C18 | C25 | 154.1° | 160.9° |
| C13 | C16 | C18 | C23 | 22.2° | 16.1° |
| C16 | C13 | H3 | H4 | 121.4° | 122.4° |
| C13 | C16 | C34 | H42 | 141.7° | 137.8° |
| N13 | C13 | C16 | C34 | 1.8° | 23.9° |
| N13 | C13 | C16 | C18 | 62.6° | 39.4° |
| C13 | N13 | C12 | C11 | 6.5° | 5.0° |
| C13 | N13 | C12 | C14 | 178.8° | 179.9° |
| C13 | N13 | C14 | C34 | 5.7° | 39.6° |
| C13 | N13 | C14 | C15 | 111.6° | 79.2° |
| C13 | N13 | C12 | O33 | 171.1° | 175.1° |
| N13 | C13 | H3 | H4 | 121.4° | 122.3° |
| C13 | N13 | C14 | H5 | 127.2° | 158.4° |
| N13 | C13 | C16 | H6 | 143.3° | 162.9° |
| C34 | C16 | C18 | H6 | 109.8° | 111.5° |
| C16 | C34 | C14 | N13 | 4.3° | 23.8° |
| C16 | C34 | C18 | C14 | 95.6° | 91.6° |
| C16 | C34 | C18 | H42 | 109.4° | 111.7° |
| C16 | C34 | C14 | H42 | 140.2° | 139.7° |
| C16 | C34 | C18 | C25 | 101.6° | 107.7° |
| C16 | C34 | C14 | C15 | 110.2° | 95.0° |
| C34 | C16 | C18 | C23 | 118.3° | 107.6° |
| C34 | C16 | C13 | H3 | 117.7° | 94.9° |
| C34 | C16 | C13 | H4 | 121.3° | 142.6° |
| C16 | C34 | C14 | H5 | 126.6° | 142.6° |
| C16 | C18 | C25 | C23 | 130.7° | 145.4° |
| C18 | C16 | C13 | H3 | 177.9° | 158.2° |
| C18 | C16 | C13 | H4 | 56.9° | 79.3° |
| C16 | C18 | C23 | H15 | 180.0° | 111.4° |
| C16 | C18 | C23 | H16 | 60.0° | 128.6° |
| C16 | C18 | C23 | H17 | 60.0° | 8.6° |
| C16 | C18 | C25 | H18 | 180.0° | 8.6° |
| C16 | C18 | C25 | H19 | 60.0° | 128.6° |
| C16 | C18 | C25 | H20 | 60.0° | 111.3° |
| O29 | C9 | N10 | C11 | 27.3° | 0.0° |
| O29 | C9 | N10 | N8 | 180.0° | 180.0° |
| O29 | C9 | N8 | C7 | 22.6° | 0.0° |
| O29 | C9 | N10 | H47 | 152.7° | 180.0° |
| O29 | C9 | N8 | H51 | 157.5° | 180.0° |
| O38 | C15 | C14 | N13 | 36.5° | 16.9° |
| O38 | C15 | C14 | C34 | 78.9° | 98.3° |
| O38 | C15 | C14 | N16 | 179.5° | 180.0° |
| O38 | C15 | N16 | C17 | 6.5° | 5.0° |
| O38 | C15 | C14 | H5 | 158.2° | 139.3° |
| O38 | C15 | N16 | H48 | 173.5° | 175.0° |
| N10 | C11 | C12 | H2 | 117.5° | 120.0° |
| N10 | C11 | C12 | N13 | 125.9° | 146.8° |
| C11 | N10 | C9 | H47 | 180.0° | 180.0° |
| C11 | N10 | C9 | N8 | 152.7° | 180.0° |
| N10 | C11 | C12 | O33 | 51.7° | 33.2° |
| C11 | C12 | N13 | O33 | 177.6° | 179.9° |
| C11 | C12 | N13 | C14 | 174.7° | 175.1° |
| C12 | C11 | N10 | C9 | 110.8° | 155.0° |
| C12 | C11 | N10 | H47 | 69.1° | 25.0° |
| N2 | C1 | C8 | O1 | 13.2° | 174.7° |
| N2 | C1 | C8 | O5 | 178.5° | 179.7° |
| N2 | C1 | C8 | C17 | 112.1° | 65.3° |
| C1 | N2 | C3 | H33 | 86.8° | 60.0° |
| C1 | N2 | C3 | H34 | 33.5° | 60.0° |
| N2 | C1 | C8 | H46 | 131.0° | 54.8° |
| C12 | N13 | C14 | C34 | 173.3° | 140.5° |
| C12 | N13 | C14 | C15 | 69.4° | 100.7° |
| N13 | C12 | C11 | H2 | 8.4° | 26.7° |
| C12 | N13 | C13 | H3 | 66.3° | 100.7° |
| C12 | N13 | C13 | H4 | 54.6° | 21.7° |
| C12 | N13 | C14 | H5 | 51.8° | 21.6° |
| N13 | C14 | C34 | C18 | 60.5° | 39.5° |
| N13 | C14 | C34 | C15 | 114.5° | 118.9° |
| N13 | C14 | C34 | H5 | 122.3° | 118.8° |
| N13 | C14 | C15 | H5 | 121.7° | 122.4° |
| N13 | C14 | C15 | N16 | 142.9° | 163.1° |
| C14 | N13 | C12 | O33 | 7.7° | 4.8° |
| C14 | N13 | C13 | H3 | 114.8° | 79.2° |
| C14 | N13 | C13 | H4 | 124.2° | 158.4° |
| N13 | C14 | C34 | H42 | 144.5° | 163.5° |
| C18 | C34 | C14 | H42 | 155.0° | 157.0° |
| C34 | C18 | C25 | C23 | 162.9° | 145.3° |
| C18 | C34 | C14 | C15 | 175.0° | 158.4° |
| C18 | C34 | C14 | H5 | 61.8° | 79.3° |
| C34 | C18 | C23 | H15 | 112.5° | 179.4° |
| C34 | C18 | C23 | H16 | 7.5° | 59.4° |
| C34 | C18 | C23 | H17 | 127.5° | 60.6° |
| C34 | C18 | C25 | H18 | 113.5° | 60.7° |
| C34 | C18 | C25 | H19 | 126.4° | 59.4° |
| C34 | C18 | C25 | H20 | 6.4° | 179.4° |
| C14 | C34 | C18 | C25 | 162.8° | 160.7° |
| C34 | C14 | C15 | H5 | 122.9° | 122.4° |
| C34 | C14 | C15 | N16 | 101.7° | 81.7° |
| C14 | C34 | C18 | C23 | 1.8° | 16.1° |
| C14 | C34 | C16 | H6 | 139.9° | 136.9° |
| N10 | C9 | N8 | C7 | 157.4° | 180.0° |
| C9 | N10 | C11 | H2 | 6.0° | 35.0° |
| N10 | C9 | N8 | H51 | 22.6° | 0.0° |
| C9 | N8 | C7 | C28 | 50.7° | 60.0° |
| C9 | N8 | C7 | C27 | 72.3° | 60.0° |
| C9 | N8 | C7 | H51 | 180.0° | 179.9° |
| C9 | N8 | C7 | C29 | 169.3° | 180.0° |
| N8 | C9 | N10 | H47 | 27.3° | 0.0° |
| C28 | C7 | C27 | N8 | 121.4° | 120.0° |
| C28 | C7 | C27 | C29 | 117.8° | 120.0° |
| C28 | C7 | N8 | C29 | 118.6° | 120.0° |
| C28 | C7 | C27 | H24 | 180.0° | 60.1° |
| C28 | C7 | C27 | H25 | 60.0° | 180.0° |
| C28 | C7 | C27 | H26 | 60.0° | 60.0° |
| C7 | C28 | H27 | H28 | 120.0° | 120.0° |
| C7 | C28 | H27 | H29 | 120.0° | 119.9° |
| C7 | C28 | H28 | H29 | 120.0° | 119.9° |
| C28 | C7 | C29 | H30 | 180.0° | 180.0° |
| C28 | C7 | C29 | H31 | 60.0° | 60.0° |
| C28 | C7 | C29 | H32 | 60.0° | 60.0° |
| C28 | C7 | N8 | H51 | 129.3° | 120.0° |
| C25 | C18 | C16 | H6 | 0.0° | 3.8° |
| C25 | C18 | C23 | H15 | 49.0° | 34.0° |
| C25 | C18 | C23 | H16 | 169.0° | 85.9° |
| C25 | C18 | C23 | H17 | 71.0° | 154.0° |
| C18 | C25 | H18 | H19 | 120.0° | 120.0° |
| C18 | C25 | H18 | H20 | 120.0° | 120.0° |
| C18 | C25 | H19 | H20 | 120.0° | 120.0° |
| C25 | C18 | C34 | H42 | 7.8° | 4.1° |
| C14 | C15 | N16 | C17 | 174.0° | 175.0° |
| C15 | C14 | C34 | H42 | 30.0° | 44.7° |
| C14 | C15 | N16 | H48 | 5.9° | 5.1° |
| C15 | N16 | C17 | H48 | 180.0° | 179.9° |
| C15 | N16 | C17 | C8 | 118.3° | 151.7° |
| C15 | N16 | C17 | C19 | 119.4° | 88.3° |
| N16 | C15 | C14 | H5 | 21.2° | 40.8° |
| C15 | N16 | C17 | H7 | 1.7° | 31.7° |
| C22 | C21 | C20 | H11 | 119.4° | 118.1° |
| C22 | C21 | C20 | H12 | 119.4° | 118.1° |
| C21 | C22 | N23 | H13 | 119.3° | 119.0° |
| C21 | C22 | N23 | H14 | 119.3° | 119.0° |
| C22 | C21 | C20 | C19 | 105.9° | 93.9° |
| C22 | C21 | C20 | C24 | 11.3° | 24.8° |
| C21 | C22 | N23 | C24 | 3.1° | 17.0° |
| C22 | C21 | C20 | H10 | 130.9° | 143.5° |
| C22 | C21 | H11 | H12 | 121.6° | 123.8° |
| C21 | C22 | H13 | H14 | 122.0° | 122.0° |
| C21 | C22 | N23 | H50 | 176.9° | 163.0° |
| C20 | C21 | C22 | N23 | 5.7° | 25.4° |
| C21 | C20 | C19 | C17 | 75.5° | 179.0° |
| C21 | C20 | C19 | C24 | 113.3° | 114.7° |
| C21 | C20 | C19 | H10 | 123.2° | 122.7° |
| C21 | C20 | C24 | H10 | 119.2° | 118.8° |
| C21 | C20 | C24 | N23 | 14.0° | 16.2° |
| C21 | C20 | C24 | O26 | 164.7° | 163.7° |
| C21 | C20 | C19 | H8 | 164.5° | 61.0° |
| C21 | C20 | C19 | H9 | 44.5° | 59.0° |
| C20 | C21 | H11 | H12 | 121.6° | 123.8° |
| C20 | C21 | C22 | H13 | 113.6° | 93.6° |
| C20 | C21 | C22 | H14 | 125.0° | 144.4° |
| O33 | C12 | C11 | H2 | 169.2° | 153.2° |
| C23 | C18 | C16 | H6 | 131.9° | 140.9° |
| C18 | C23 | H15 | H16 | 120.0° | 120.0° |
| C18 | C23 | H15 | H17 | 120.0° | 120.0° |
| C18 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C18 | C25 | H18 | 49.3° | 154.0° |
| C23 | C18 | C25 | H19 | 70.7° | 86.0° |
| C23 | C18 | C25 | H20 | 169.3° | 34.1° |
| C23 | C18 | C34 | H42 | 153.2° | 140.6° |
| C22 | N23 | C24 | C20 | 11.1° | 0.4° |
| C22 | N23 | C24 | H50 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 167.6° | 179.6° |
| N23 | C22 | C21 | H11 | 113.7° | 143.5° |
| N23 | C22 | C21 | H12 | 125.2° | 92.7° |
| N23 | C22 | H13 | H14 | 122.1° | 122.0° |
| C27 | C7 | N8 | C29 | 118.4° | 120.0° |
| C7 | C27 | H24 | H25 | 120.0° | 120.0° |
| C7 | C27 | H24 | H26 | 120.0° | 120.0° |
| C7 | C27 | H25 | H26 | 120.0° | 120.0° |
| C27 | C7 | C28 | H27 | 180.0° | 60.0° |
| C27 | C7 | C28 | H28 | 60.0° | 180.0° |
| C27 | C7 | C28 | H29 | 60.0° | 60.0° |
| C27 | C7 | C29 | H30 | 58.1° | 60.0° |
| C27 | C7 | C29 | H31 | 178.1° | 180.0° |
| C27 | C7 | C29 | H32 | 61.9° | 60.0° |
| C27 | C7 | N8 | H51 | 107.7° | 120.0° |
| O1 | C8 | C1 | C17 | 125.3° | 120.0° |
| O1 | C8 | C1 | H46 | 117.7° | 120.0° |
| O1 | C8 | C1 | O5 | 165.2° | 5.0° |
| O1 | C8 | C17 | N16 | 46.3° | 60.1° |
| O1 | C8 | C17 | H46 | 120.2° | 120.0° |
| O1 | C8 | C17 | C19 | 164.3° | 60.0° |
| O1 | C8 | C17 | H7 | 74.4° | 180.0° |
| C1 | C8 | C17 | N16 | 168.9° | 59.9° |
| C1 | C8 | C17 | H46 | 117.2° | 120.1° |
| C1 | C8 | C17 | C19 | 73.0° | 180.0° |
| C1 | C8 | C17 | H7 | 48.2° | 60.0° |
| C8 | C1 | N2 | H49 | 36.3° | 0.0° |
| C1 | C8 | O1 | H52 | 180.0° | 60.0° |
| O5 | C1 | C8 | C17 | 69.4° | 115.0° |
| O5 | C1 | C8 | H46 | 47.5° | 125.0° |
| O5 | C1 | N2 | H49 | 142.0° | 179.7° |
| N16 | C17 | C8 | C19 | 118.1° | 120.1° |
| N16 | C17 | C8 | H7 | 120.7° | 119.9° |
| N16 | C17 | C19 | H7 | 118.5° | 120.0° |
| N16 | C17 | C19 | C20 | 57.3° | 173.8° |
| N16 | C17 | C19 | H8 | 62.7° | 53.8° |
| N16 | C17 | C19 | H9 | 177.3° | 66.2° |
| N16 | C17 | C8 | H46 | 73.9° | 180.0° |
| C8 | C17 | C19 | H7 | 121.3° | 119.9° |
| C8 | C17 | C19 | C20 | 177.6° | 66.1° |
| C8 | C17 | C19 | H8 | 57.5° | 173.9° |
| C8 | C17 | C19 | H9 | 62.4° | 53.8° |
| C8 | C17 | N16 | H48 | 61.7° | 28.4° |
| C17 | C8 | O1 | H52 | 56.8° | 60.0° |
| C17 | C19 | C20 | H8 | 120.0° | 120.0° |
| C17 | C19 | C20 | H9 | 120.0° | 120.0° |
| C17 | C19 | C20 | C24 | 171.2° | 66.3° |
| C17 | C19 | H8 | H9 | 119.8° | 120.0° |
| C17 | C19 | C20 | H10 | 47.7° | 56.3° |
| C19 | C17 | C8 | H46 | 44.2° | 59.9° |
| C19 | C17 | N16 | H48 | 60.6° | 91.6° |
| N8 | C7 | C27 | H24 | 58.6° | 60.0° |
| N8 | C7 | C27 | H25 | 178.6° | 60.0° |
| N8 | C7 | C27 | H26 | 61.4° | 180.0° |
| N8 | C7 | C28 | H27 | 60.9° | 180.0° |
| N8 | C7 | C28 | H28 | 59.2° | 60.0° |
| N8 | C7 | C28 | H29 | 179.1° | 60.0° |
| N8 | C7 | C29 | H30 | 59.1° | 60.0° |
| N8 | C7 | C29 | H31 | 60.9° | 60.0° |
| N8 | C7 | C29 | H32 | 179.1° | 180.0° |
| C29 | C7 | C27 | H24 | 62.2° | 179.9° |
| C29 | C7 | C27 | H25 | 57.8° | 60.0° |
| C29 | C7 | C27 | H26 | 177.8° | 60.0° |
| C29 | C7 | C28 | H27 | 61.1° | 60.1° |
| C29 | C7 | C28 | H28 | 178.9° | 60.0° |
| C29 | C7 | C28 | H29 | 58.9° | 180.0° |
| C7 | C29 | H30 | H31 | 120.0° | 120.0° |
| C7 | C29 | H30 | H32 | 120.0° | 120.0° |
| C7 | C29 | H31 | H32 | 120.0° | 120.0° |
| C29 | C7 | N8 | H51 | 10.7° | 0.0° |
| C19 | C20 | C24 | H10 | 123.2° | 122.6° |
| C19 | C20 | C24 | N23 | 103.6° | 102.4° |
| C19 | C20 | C24 | O26 | 77.7° | 77.6° |
| C20 | C19 | C17 | H7 | 61.2° | 53.8° |
| C20 | C19 | H8 | H9 | 119.8° | 120.0° |
| C19 | C20 | C21 | H11 | 134.7° | 24.3° |
| C19 | C20 | C21 | H12 | 13.6° | 148.0° |
| C20 | C24 | N23 | O26 | 178.6° | 179.9° |
| C24 | C20 | C19 | H8 | 51.2° | 53.7° |
| C24 | C20 | C19 | H9 | 68.7° | 173.8° |
| C24 | C20 | C21 | H11 | 108.1° | 142.9° |
| C24 | C20 | C21 | H12 | 130.8° | 93.4° |
| C20 | C24 | N23 | H50 | 168.9° | 179.6° |
| N23 | C24 | C20 | H10 | 133.2° | 135.0° |
| C24 | N23 | C22 | H13 | 122.4° | 101.9° |
| C24 | N23 | C22 | H14 | 116.2° | 136.0° |
| O26 | C24 | C20 | H10 | 45.5° | 44.9° |
| O26 | C24 | N23 | H50 | 12.4° | 0.3° |
| H1 | C10 | C33 | H41 | 0.8° | 0.0° |
| H1 | C10 | C6 | H45 | 0.8° | 0.3° |
| H2 | C11 | N10 | H47 | 174.1° | 145.0° |
| H3 | C13 | C16 | H6 | 23.8° | 44.1° |
| H4 | C13 | C16 | H6 | 97.1° | 78.3° |
| H5 | C14 | C34 | H42 | 93.2° | 77.7° |
| H6 | C16 | C34 | H42 | 0.3° | 0.9° |
| H7 | C17 | C19 | H8 | 178.8° | 66.2° |
| H7 | C17 | C19 | H9 | 58.9° | 173.8° |
| H7 | C17 | C8 | H46 | 165.4° | 60.0° |
| H7 | C17 | N16 | H48 | 178.3° | 148.3° |
| H8 | C19 | C20 | H10 | 72.3° | 176.3° |
| H9 | C19 | C20 | H10 | 167.8° | 63.6° |
| H10 | C20 | C21 | H11 | 11.5° | 98.3° |
| H10 | C20 | C21 | H12 | 109.7° | 25.4° |
| H11 | C21 | C22 | H13 | 126.9° | 24.5° |
| H11 | C21 | C22 | H14 | 5.5° | 97.5° |
| H12 | C21 | C22 | H13 | 5.8° | 148.3° |
| H12 | C21 | C22 | H14 | 115.5° | 26.3° |
| H13 | C22 | N23 | H50 | 57.6° | 78.0° |
| H14 | C22 | N23 | H50 | 63.8° | 44.0° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H18 | C25 | H19 | H20 | 120.0° | 119.9° |
| H21 | C26 | H22 | H23 | 120.0° | 120.0° |
| H24 | C27 | H25 | H26 | 120.0° | 120.1° |
| H27 | C28 | H28 | H29 | 119.9° | 120.1° |
| H30 | C29 | H31 | H32 | 120.0° | 120.0° |
| H33 | C3 | N2 | H49 | 93.2° | 120.0° |
| H34 | C3 | N2 | H49 | 146.5° | 120.0° |
| H35 | C31 | H36 | H37 | 120.0° | 120.1° |
| H38 | C32 | H39 | H40 | 120.0° | 120.0° |
| H43 | C4 | C5 | H44 | 0.4° | 0.5° |
| H44 | C5 | C6 | H45 | 0.2° | 0.3° |
| H46 | C8 | O1 | H52 | 62.7° | 180.0° |
