I71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C30 | C11 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C13 | C16 | sing | 1.54Å | 1.52Å | |
| C13 | N13 | sing | 1.48Å | 1.47Å | |
| C16 | C34 | sing | 1.54Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| O29 | C9 | doub | 1.22Å | 1.23Å | |
| C3 | N2 | sing | 1.46Å | 1.45Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C11 | N10 | sing | 1.47Å | 1.44Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.48Å | 1.46Å | |
| N2 | C1 | sing | 1.35Å | 1.33Å | |
| C27 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| C9 | N8 | sing | 1.35Å | 1.33Å | |
| C34 | C18 | sing | 1.53Å | 1.54Å | |
| C34 | C14 | sing | 1.54Å | 1.53Å | |
| C18 | C25 | sing | 1.53Å | 1.53Å | |
| C18 | C23 | sing | 1.53Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C29 | C7 | sing | 1.53Å | 1.52Å | |
| O9 | C8 | sing | 1.43Å | 1.45Å | |
| C1 | O5 | doub | 1.21Å | 1.21Å | |
| C1 | C8 | sing | 1.51Å | 1.50Å | |
| N8 | C7 | sing | 1.46Å | 1.47Å | |
| C7 | C28 | sing | 1.53Å | 1.52Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C24 | sing | 1.51Å | 1.51Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| N10 | H45 | sing | 0.97Å | 1.00Å | |
| N16 | H46 | sing | 0.97Å | 1.00Å | |
| N2 | H47 | sing | 0.97Å | 1.00Å | |
| N23 | H48 | sing | 0.97Å | 1.00Å | |
| N8 | H49 | sing | 0.97Å | 1.00Å | |
| O9 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C30 | C26 | 109.7° | 109.4° |
| C32 | C30 | C11 | 110.1° | 109.5° |
| C32 | C30 | C31 | 106.2° | 109.5° |
| C30 | C32 | H37 | 109.5° | 109.5° |
| C30 | C32 | H38 | 109.5° | 109.5° |
| C30 | C32 | H39 | 109.5° | 109.5° |
| C26 | C30 | C11 | 109.6° | 109.5° |
| C26 | C30 | C31 | 110.0° | 109.5° |
| C30 | C26 | H20 | 109.5° | 109.4° |
| C30 | C26 | H21 | 109.5° | 109.5° |
| C30 | C26 | H22 | 109.5° | 109.5° |
| C4 | C3 | N2 | 112.9° | 109.5° |
| C4 | C3 | H32 | 108.6° | 109.4° |
| C4 | C3 | H33 | 108.6° | 109.4° |
| C3 | C4 | H41 | 109.5° | 109.5° |
| C3 | C4 | H42 | 109.5° | 109.5° |
| C3 | C4 | H43 | 109.5° | 109.5° |
| C11 | C30 | C31 | 111.2° | 109.5° |
| C30 | C11 | N10 | 111.5° | 109.5° |
| C30 | C11 | C12 | 114.5° | 109.5° |
| C30 | C11 | H1 | 106.8° | 109.5° |
| C30 | C31 | H34 | 109.5° | 109.4° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.4° |
| C16 | C13 | N13 | 104.8° | 104.6° |
| C13 | C16 | C34 | 109.1° | 104.9° |
| C13 | C16 | C18 | 114.3° | 118.1° |
| C16 | C13 | H2 | 110.6° | 110.4° |
| C16 | C13 | H3 | 110.6° | 110.4° |
| C13 | C16 | H5 | 119.7° | 117.6° |
| C13 | N13 | C12 | 127.3° | 127.8° |
| C13 | N13 | C14 | 113.4° | 104.3° |
| N13 | C13 | H2 | 110.6° | 110.5° |
| N13 | C13 | H3 | 110.6° | 110.4° |
| C34 | C16 | C18 | 60.5° | 59.7° |
| C16 | C34 | C18 | 59.9° | 59.7° |
| C16 | C34 | C14 | 105.7° | 105.0° |
| C34 | C16 | H5 | 119.6° | 121.8° |
| C16 | C34 | H40 | 119.7° | 121.8° |
| C16 | C18 | C34 | 59.7° | 60.5° |
| C16 | C18 | C25 | 118.6° | 117.4° |
| C16 | C18 | C23 | 123.0° | 117.4° |
| C18 | C16 | H5 | 119.6° | 120.2° |
| O29 | C9 | N10 | 119.3° | 120.0° |
| O29 | C9 | N8 | 124.0° | 120.0° |
| C3 | N2 | C1 | 123.2° | 120.0° |
| N2 | C3 | H32 | 108.6° | 109.5° |
| N2 | C3 | H33 | 108.6° | 109.5° |
| C3 | N2 | H47 | 118.4° | 120.0° |
| O38 | C15 | C14 | 119.8° | 120.0° |
| O38 | C15 | N16 | 121.6° | 120.0° |
| N10 | C11 | C12 | 108.8° | 109.5° |
| C11 | N10 | C9 | 119.3° | 120.0° |
| N10 | C11 | H1 | 107.9° | 109.4° |
| C11 | N10 | H45 | 120.4° | 120.0° |
| C11 | C12 | N13 | 115.0° | 120.0° |
| C11 | C12 | O33 | 123.4° | 120.0° |
| C12 | C11 | H1 | 107.1° | 109.5° |
| C12 | N13 | C14 | 119.4° | 127.9° |
| N13 | C12 | O33 | 121.7° | 120.0° |
| N13 | C14 | C34 | 106.7° | 104.6° |
| N13 | C14 | C15 | 106.2° | 110.6° |
| N13 | C14 | H4 | 112.1° | 110.4° |
| N2 | C1 | O5 | 126.3° | 120.0° |
| N2 | C1 | C8 | 114.7° | 120.0° |
| C1 | N2 | H47 | 118.4° | 120.0° |
| C27 | C7 | C29 | 109.9° | 109.5° |
| C27 | C7 | N8 | 110.4° | 109.5° |
| C27 | C7 | C28 | 109.7° | 109.4° |
| C7 | C27 | H23 | 109.5° | 109.5° |
| C7 | C27 | H24 | 109.5° | 109.5° |
| C7 | C27 | H25 | 109.5° | 109.4° |
| N10 | C9 | N8 | 116.7° | 120.0° |
| C9 | N10 | H45 | 120.4° | 120.0° |
| C9 | N8 | C7 | 127.2° | 120.0° |
| C9 | N8 | H49 | 116.4° | 120.0° |
| C18 | C34 | C14 | 117.0° | 118.2° |
| C34 | C18 | C25 | 112.1° | 117.4° |
| C34 | C18 | C23 | 114.6° | 117.4° |
| C18 | C34 | H40 | 119.5° | 119.5° |
| C34 | C14 | C15 | 109.3° | 110.4° |
| C34 | C14 | H4 | 110.9° | 110.4° |
| C14 | C34 | H40 | 119.6° | 118.2° |
| C25 | C18 | C23 | 115.1° | 115.6° |
| C18 | C25 | H17 | 109.5° | 109.5° |
| C18 | C25 | H18 | 109.5° | 109.5° |
| C18 | C25 | H19 | 109.5° | 109.4° |
| C18 | C23 | H14 | 109.5° | 109.4° |
| C18 | C23 | H15 | 109.5° | 109.5° |
| C18 | C23 | H16 | 109.4° | 109.4° |
| C22 | C21 | C20 | 105.3° | 101.8° |
| C21 | C22 | N23 | 104.8° | 105.5° |
| C22 | C21 | H10 | 110.5° | 110.9° |
| C22 | C21 | H11 | 110.5° | 110.9° |
| C21 | C22 | H12 | 110.6° | 110.2° |
| C21 | C22 | H13 | 110.6° | 110.3° |
| C21 | C20 | C19 | 113.1° | 110.5° |
| C21 | C20 | C24 | 102.8° | 104.2° |
| C21 | C20 | H9 | 109.1° | 110.6° |
| C20 | C21 | H10 | 110.5° | 111.0° |
| C20 | C21 | H11 | 110.5° | 111.0° |
| C14 | C15 | N16 | 118.7° | 120.0° |
| C15 | C14 | H4 | 111.4° | 110.3° |
| C15 | N16 | C17 | 118.8° | 120.0° |
| C15 | N16 | H46 | 120.6° | 120.0° |
| C22 | N23 | C24 | 112.3° | 111.3° |
| N23 | C22 | H12 | 110.6° | 110.3° |
| N23 | C22 | H13 | 110.6° | 110.2° |
| C22 | N23 | H48 | 123.9° | 124.4° |
| C29 | C7 | N8 | 111.9° | 109.5° |
| C29 | C7 | C28 | 106.7° | 109.5° |
| C7 | C29 | H29 | 109.5° | 109.5° |
| C7 | C29 | H30 | 109.5° | 109.4° |
| C7 | C29 | H31 | 109.4° | 109.5° |
| O9 | C8 | C1 | 107.2° | 109.5° |
| O9 | C8 | C17 | 111.1° | 109.5° |
| O9 | C8 | H44 | 108.9° | 109.4° |
| C8 | O9 | H50 | 109.5° | 114.0° |
| O5 | C1 | C8 | 119.0° | 120.0° |
| C1 | C8 | C17 | 113.7° | 109.5° |
| C1 | C8 | H44 | 108.2° | 109.5° |
| N8 | C7 | C28 | 108.2° | 109.5° |
| C7 | N8 | H49 | 116.4° | 120.0° |
| C7 | C28 | H26 | 109.5° | 109.4° |
| C7 | C28 | H27 | 109.5° | 109.4° |
| C7 | C28 | H28 | 109.5° | 109.5° |
| C8 | C17 | N16 | 104.1° | 109.5° |
| C8 | C17 | C19 | 116.4° | 109.5° |
| C8 | C17 | H6 | 108.9° | 109.5° |
| C17 | C8 | H44 | 107.7° | 109.5° |
| N16 | C17 | C19 | 108.6° | 109.4° |
| N16 | C17 | H6 | 109.9° | 109.5° |
| C17 | N16 | H46 | 120.6° | 120.0° |
| C17 | C19 | C20 | 111.5° | 109.5° |
| C19 | C17 | H6 | 108.8° | 109.4° |
| C17 | C19 | H7 | 109.0° | 109.5° |
| C17 | C19 | H8 | 109.0° | 109.5° |
| C19 | C20 | C24 | 113.5° | 110.5° |
| C20 | C19 | H7 | 109.0° | 109.5° |
| C20 | C19 | H8 | 108.9° | 109.4° |
| C19 | C20 | H9 | 108.9° | 110.4° |
| C20 | C24 | N23 | 111.2° | 110.1° |
| C20 | C24 | O26 | 123.4° | 124.9° |
| C24 | C20 | H9 | 109.2° | 110.5° |
| N23 | C24 | O26 | 125.4° | 125.0° |
| C24 | N23 | H48 | 123.8° | 124.3° |
| H2 | C13 | H3 | 109.5° | 110.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 110.9° |
| H12 | C22 | H13 | 109.5° | 110.2° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H22 | 109.5° | 109.4° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H26 | C28 | H27 | 109.4° | 109.5° |
| H26 | C28 | H28 | 109.4° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.4° | 109.5° |
| H34 | C31 | H36 | 109.4° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H37 | C32 | H38 | 109.5° | 109.5° |
| H37 | C32 | H39 | 109.4° | 109.5° |
| H38 | C32 | H39 | 109.5° | 109.4° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.5° | 109.4° |
| H42 | C4 | H43 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C30 | C26 | C11 | 120.9° | 120.0° |
| C32 | C30 | C26 | C31 | 116.5° | 120.0° |
| C32 | C30 | C11 | C31 | 117.5° | 120.0° |
| C32 | C30 | C11 | N10 | 56.2° | 58.3° |
| C32 | C30 | C11 | C12 | 179.8° | 178.3° |
| C32 | C30 | C11 | H1 | 61.5° | 61.7° |
| C32 | C30 | C26 | H20 | 180.0° | 180.0° |
| C32 | C30 | C26 | H21 | 60.0° | 60.0° |
| C32 | C30 | C26 | H22 | 60.0° | 60.0° |
| C32 | C30 | C31 | H34 | 180.0° | 177.7° |
| C32 | C30 | C31 | H35 | 60.0° | 57.7° |
| C32 | C30 | C31 | H36 | 60.0° | 62.2° |
| C30 | C32 | H37 | H38 | 120.0° | 120.0° |
| C30 | C32 | H37 | H39 | 120.0° | 120.0° |
| C30 | C32 | H38 | H39 | 120.0° | 120.0° |
| C26 | C30 | C11 | C31 | 121.8° | 120.0° |
| C26 | C30 | C11 | N10 | 176.9° | 61.7° |
| C26 | C30 | C11 | C12 | 59.1° | 58.3° |
| C26 | C30 | C11 | H1 | 59.2° | 178.3° |
| C30 | C26 | H20 | H21 | 120.0° | 120.0° |
| C30 | C26 | H20 | H22 | 120.0° | 120.0° |
| C30 | C26 | H21 | H22 | 120.0° | 120.1° |
| C26 | C30 | C31 | H34 | 61.4° | 62.3° |
| C26 | C30 | C31 | H35 | 58.6° | 177.7° |
| C26 | C30 | C31 | H36 | 178.6° | 57.7° |
| C26 | C30 | C32 | H37 | 180.0° | 60.0° |
| C26 | C30 | C32 | H38 | 60.0° | 180.0° |
| C26 | C30 | C32 | H39 | 60.0° | 60.0° |
| C4 | C3 | N2 | H32 | 120.5° | 120.0° |
| C4 | C3 | N2 | H33 | 120.5° | 120.0° |
| C4 | C3 | N2 | C1 | 147.7° | 180.0° |
| C4 | C3 | H32 | H33 | 118.5° | 119.9° |
| C3 | C4 | H41 | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H43 | 120.0° | 120.0° |
| C3 | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | C3 | N2 | H47 | 32.3° | 0.0° |
| C30 | C11 | N10 | C12 | 127.2° | 120.0° |
| C30 | C11 | N10 | H1 | 117.0° | 120.0° |
| C30 | C11 | C12 | H1 | 118.2° | 120.0° |
| C30 | C11 | C12 | N13 | 113.1° | 93.2° |
| C30 | C11 | N10 | C9 | 124.1° | 85.0° |
| C30 | C11 | C12 | O33 | 68.2° | 86.8° |
| C11 | C30 | C26 | H20 | 59.1° | 60.0° |
| C11 | C30 | C26 | H21 | 60.9° | 180.0° |
| C11 | C30 | C26 | H22 | 179.1° | 59.9° |
| C11 | C30 | C31 | H34 | 60.2° | 57.7° |
| C11 | C30 | C31 | H35 | 179.8° | 62.3° |
| C11 | C30 | C31 | H36 | 59.8° | 177.7° |
| C11 | C30 | C32 | H37 | 59.4° | 180.0° |
| C11 | C30 | C32 | H38 | 179.4° | 60.0° |
| C11 | C30 | C32 | H39 | 60.6° | 60.0° |
| C30 | C11 | N10 | H45 | 55.9° | 95.0° |
| C31 | C30 | C11 | N10 | 61.3° | 178.3° |
| C31 | C30 | C11 | C12 | 62.7° | 61.7° |
| C31 | C30 | C11 | H1 | 178.9° | 58.3° |
| C31 | C30 | C26 | H20 | 63.5° | 60.0° |
| C31 | C30 | C26 | H21 | 176.5° | 59.9° |
| C31 | C30 | C26 | H22 | 56.5° | 180.0° |
| C30 | C31 | H34 | H35 | 120.0° | 120.0° |
| C30 | C31 | H34 | H36 | 120.0° | 120.0° |
| C30 | C31 | H35 | H36 | 120.0° | 120.0° |
| C31 | C30 | C32 | H37 | 61.2° | 60.0° |
| C31 | C30 | C32 | H38 | 58.9° | 60.0° |
| C31 | C30 | C32 | H39 | 178.9° | 180.0° |
| C16 | C13 | N13 | H2 | 119.2° | 118.8° |
| C16 | C13 | N13 | H3 | 119.3° | 118.7° |
| C13 | C16 | C34 | C18 | 107.7° | 114.2° |
| C13 | C16 | C34 | H5 | 143.0° | 136.9° |
| C13 | C16 | C18 | H5 | 151.6° | 157.0° |
| C16 | C13 | N13 | C12 | 176.9° | 140.5° |
| C16 | C13 | N13 | C14 | 3.2° | 39.7° |
| C13 | C16 | C34 | C14 | 4.7° | 0.0° |
| C13 | C16 | C18 | C25 | 160.8° | 160.8° |
| C13 | C16 | C18 | C23 | 2.3° | 16.0° |
| C16 | C13 | H2 | H3 | 122.2° | 122.4° |
| C13 | C16 | C34 | H40 | 143.4° | 137.8° |
| N13 | C13 | C16 | C34 | 1.1° | 23.9° |
| N13 | C13 | C16 | C18 | 66.5° | 39.5° |
| C13 | N13 | C12 | C11 | 2.4° | 5.0° |
| C13 | N13 | C12 | C14 | 179.9° | 179.9° |
| C13 | N13 | C14 | C34 | 6.2° | 39.7° |
| C13 | N13 | C12 | O33 | 176.3° | 175.1° |
| C13 | N13 | C14 | C15 | 110.3° | 79.2° |
| N13 | C13 | H2 | H3 | 122.2° | 122.5° |
| C13 | N13 | C14 | H4 | 127.8° | 158.4° |
| N13 | C13 | C16 | H5 | 141.8° | 163.0° |
| C34 | C16 | C18 | H5 | 109.4° | 111.5° |
| C16 | C34 | C14 | N13 | 6.5° | 23.9° |
| C16 | C34 | C18 | C14 | 93.2° | 91.5° |
| C16 | C34 | C18 | H40 | 109.3° | 111.8° |
| C16 | C34 | C14 | H40 | 138.8° | 139.7° |
| C34 | C16 | C18 | C25 | 100.2° | 107.6° |
| C34 | C16 | C18 | C23 | 101.3° | 107.6° |
| C16 | C34 | C14 | C15 | 107.9° | 95.1° |
| C34 | C16 | C13 | H2 | 120.4° | 94.9° |
| C34 | C16 | C13 | H3 | 118.1° | 142.6° |
| C16 | C34 | C14 | H4 | 128.8° | 142.7° |
| C16 | C18 | C25 | C23 | 160.2° | 145.4° |
| C18 | C16 | C13 | H2 | 174.2° | 158.3° |
| C18 | C16 | C13 | H3 | 52.7° | 79.3° |
| C16 | C18 | C23 | H14 | 180.0° | 111.4° |
| C16 | C18 | C23 | H15 | 60.0° | 128.6° |
| C16 | C18 | C23 | H16 | 60.0° | 8.6° |
| C16 | C18 | C25 | H17 | 180.0° | 8.6° |
| C16 | C18 | C25 | H18 | 60.0° | 128.6° |
| C16 | C18 | C25 | H19 | 60.0° | 111.5° |
| O29 | C9 | N10 | C11 | 18.6° | 0.1° |
| O29 | C9 | N10 | N8 | 179.6° | 179.9° |
| O29 | C9 | N8 | C7 | 5.1° | 0.1° |
| O29 | C9 | N10 | H45 | 161.4° | 180.0° |
| O29 | C9 | N8 | H49 | 174.9° | 180.0° |
| C3 | N2 | C1 | H47 | 180.0° | 180.0° |
| C3 | N2 | C1 | O5 | 16.1° | 0.0° |
| C3 | N2 | C1 | C8 | 165.1° | 179.7° |
| N2 | C3 | H32 | H33 | 118.4° | 120.1° |
| N2 | C3 | C4 | H41 | 180.0° | 60.0° |
| N2 | C3 | C4 | H42 | 60.0° | 60.0° |
| N2 | C3 | C4 | H43 | 60.0° | 180.0° |
| O38 | C15 | C14 | N13 | 48.7° | 16.9° |
| O38 | C15 | C14 | C34 | 66.0° | 98.3° |
| O38 | C15 | C14 | N16 | 178.4° | 179.9° |
| O38 | C15 | N16 | C17 | 3.2° | 5.0° |
| O38 | C15 | C14 | H4 | 171.0° | 139.3° |
| O38 | C15 | N16 | H46 | 176.8° | 175.0° |
| N10 | C11 | C12 | H1 | 116.4° | 119.9° |
| N10 | C11 | C12 | N13 | 121.5° | 146.8° |
| C11 | N10 | C9 | H45 | 180.0° | 179.9° |
| C11 | N10 | C9 | N8 | 161.0° | 180.0° |
| N10 | C11 | C12 | O33 | 57.2° | 33.2° |
| C11 | C12 | N13 | O33 | 178.7° | 180.0° |
| C11 | C12 | N13 | C14 | 177.5° | 175.2° |
| C12 | C11 | N10 | C9 | 108.8° | 155.0° |
| C12 | C11 | N10 | H45 | 71.2° | 25.0° |
| C12 | N13 | C14 | C34 | 173.9° | 140.5° |
| C12 | N13 | C14 | C15 | 69.6° | 100.6° |
| N13 | C12 | C11 | H1 | 5.1° | 26.8° |
| C12 | N13 | C13 | H2 | 63.9° | 100.7° |
| C12 | N13 | C13 | H3 | 57.6° | 21.7° |
| C12 | N13 | C14 | H4 | 52.2° | 21.7° |
| N13 | C14 | C34 | C18 | 57.3° | 39.4° |
| N13 | C14 | C34 | C15 | 114.4° | 119.0° |
| N13 | C14 | C34 | H4 | 122.3° | 118.7° |
| C14 | N13 | C12 | O33 | 3.8° | 4.8° |
| N13 | C14 | C15 | H4 | 122.3° | 122.4° |
| N13 | C14 | C15 | N16 | 129.6° | 163.1° |
| C14 | N13 | C13 | H2 | 116.0° | 79.1° |
| C14 | N13 | C13 | H3 | 122.5° | 158.4° |
| N13 | C14 | C34 | H40 | 145.2° | 163.6° |
| N2 | C1 | C8 | O9 | 6.8° | 174.7° |
| N2 | C1 | O5 | C8 | 178.7° | 179.7° |
| N2 | C1 | C8 | C17 | 116.3° | 65.3° |
| C1 | N2 | C3 | H32 | 91.8° | 60.0° |
| C1 | N2 | C3 | H33 | 27.2° | 60.0° |
| N2 | C1 | C8 | H44 | 124.1° | 54.7° |
| C27 | C7 | N8 | C9 | 67.8° | 60.0° |
| C27 | C7 | C29 | N8 | 123.0° | 120.0° |
| C27 | C7 | C29 | C28 | 118.9° | 120.0° |
| C27 | C7 | N8 | C28 | 120.1° | 119.9° |
| C7 | C27 | H23 | H24 | 120.0° | 120.0° |
| C7 | C27 | H23 | H25 | 120.0° | 120.0° |
| C7 | C27 | H24 | H25 | 120.0° | 119.9° |
| C27 | C7 | C28 | H26 | 180.0° | 60.0° |
| C27 | C7 | C28 | H27 | 60.0° | 180.0° |
| C27 | C7 | C28 | H28 | 60.0° | 60.0° |
| C27 | C7 | C29 | H29 | 180.0° | 60.0° |
| C27 | C7 | C29 | H30 | 60.0° | 180.0° |
| C27 | C7 | C29 | H31 | 60.0° | 60.0° |
| C27 | C7 | N8 | H49 | 112.2° | 120.0° |
| N10 | C9 | N8 | C7 | 175.3° | 180.0° |
| C9 | N10 | C11 | H1 | 7.1° | 35.1° |
| N10 | C9 | N8 | H49 | 4.7° | 0.1° |
| C9 | N8 | C7 | C29 | 54.8° | 180.0° |
| C9 | N8 | C7 | H49 | 180.0° | 180.0° |
| C9 | N8 | C7 | C28 | 172.1° | 59.9° |
| N8 | C9 | N10 | H45 | 19.0° | 0.1° |
| C18 | C34 | C14 | H40 | 157.5° | 157.0° |
| C34 | C18 | C25 | C23 | 133.3° | 145.3° |
| C18 | C34 | C14 | C15 | 171.7° | 158.4° |
| C18 | C34 | C14 | H4 | 65.0° | 79.3° |
| C34 | C18 | C23 | H14 | 111.4° | 179.4° |
| C34 | C18 | C23 | H15 | 8.6° | 59.4° |
| C34 | C18 | C23 | H16 | 128.6° | 60.6° |
| C34 | C18 | C25 | H17 | 113.6° | 60.6° |
| C34 | C18 | C25 | H18 | 126.4° | 59.4° |
| C34 | C18 | C25 | H19 | 6.4° | 179.3° |
| C14 | C34 | C18 | C25 | 155.6° | 160.9° |
| C14 | C34 | C18 | C23 | 22.0° | 16.1° |
| C34 | C14 | C15 | H4 | 123.0° | 122.3° |
| C34 | C14 | C15 | N16 | 115.6° | 81.6° |
| C14 | C34 | C16 | H5 | 138.3° | 136.9° |
| C25 | C18 | C16 | H5 | 9.2° | 3.9° |
| C25 | C18 | C23 | H14 | 20.7° | 34.0° |
| C25 | C18 | C23 | H15 | 140.7° | 86.0° |
| C25 | C18 | C23 | H16 | 99.2° | 154.0° |
| C18 | C25 | H17 | H18 | 120.0° | 120.1° |
| C18 | C25 | H17 | H19 | 120.0° | 120.0° |
| C18 | C25 | H18 | H19 | 120.0° | 119.9° |
| C25 | C18 | C34 | H40 | 1.9° | 4.1° |
| C23 | C18 | C16 | H5 | 149.4° | 140.9° |
| C18 | C23 | H14 | H15 | 120.0° | 120.0° |
| C18 | C23 | H14 | H16 | 120.0° | 119.9° |
| C18 | C23 | H15 | H16 | 120.0° | 120.0° |
| C23 | C18 | C25 | H17 | 19.8° | 154.0° |
| C23 | C18 | C25 | H18 | 100.3° | 85.9° |
| C23 | C18 | C25 | H19 | 139.7° | 34.0° |
| C23 | C18 | C34 | H40 | 135.5° | 140.6° |
| O33 | C12 | C11 | H1 | 173.6° | 153.1° |
| C22 | C21 | C20 | H10 | 119.3° | 118.1° |
| C22 | C21 | C20 | H11 | 119.4° | 118.1° |
| C21 | C22 | N23 | H12 | 119.3° | 119.0° |
| C21 | C22 | N23 | H13 | 119.2° | 119.0° |
| C22 | C21 | C20 | C19 | 140.8° | 93.9° |
| C22 | C21 | C20 | C24 | 18.1° | 24.8° |
| C21 | C22 | N23 | C24 | 10.1° | 17.0° |
| C22 | C21 | C20 | H9 | 97.8° | 143.5° |
| C22 | C21 | H10 | H11 | 121.9° | 123.8° |
| C21 | C22 | H12 | H13 | 122.1° | 122.0° |
| C21 | C22 | N23 | H48 | 169.9° | 163.0° |
| C20 | C21 | C22 | N23 | 17.6° | 25.4° |
| C21 | C20 | C19 | C17 | 74.9° | 179.0° |
| C21 | C20 | C19 | C24 | 116.6° | 114.8° |
| C21 | C20 | C19 | H9 | 121.5° | 122.7° |
| C21 | C20 | C24 | H9 | 115.8° | 118.9° |
| C21 | C20 | C24 | N23 | 12.9° | 16.2° |
| C21 | C20 | C24 | O26 | 167.8° | 163.8° |
| C21 | C20 | C19 | H7 | 164.8° | 61.0° |
| C21 | C20 | C19 | H8 | 45.4° | 59.0° |
| C20 | C21 | H10 | H11 | 121.9° | 123.9° |
| C20 | C21 | C22 | H12 | 136.8° | 93.6° |
| C20 | C21 | C22 | H13 | 101.7° | 144.4° |
| C14 | C15 | N16 | C17 | 178.4° | 174.9° |
| C15 | C14 | C34 | H40 | 30.8° | 44.6° |
| C14 | C15 | N16 | H46 | 1.6° | 5.1° |
| C15 | N16 | C17 | C8 | 103.1° | 151.7° |
| C15 | N16 | C17 | H46 | 180.0° | 180.0° |
| C15 | N16 | C17 | C19 | 132.2° | 88.3° |
| N16 | C15 | C14 | H4 | 7.4° | 40.7° |
| C15 | N16 | C17 | H6 | 13.4° | 31.6° |
| C22 | N23 | C24 | C20 | 1.8° | 0.4° |
| C22 | N23 | C24 | H48 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 178.9° | 179.6° |
| N23 | C22 | C21 | H10 | 136.9° | 143.6° |
| N23 | C22 | C21 | H11 | 101.8° | 92.7° |
| N23 | C22 | H12 | H13 | 122.2° | 122.0° |
| C29 | C7 | N8 | C28 | 117.2° | 120.1° |
| C29 | C7 | C27 | H23 | 180.0° | 60.0° |
| C29 | C7 | C27 | H24 | 60.0° | 180.0° |
| C29 | C7 | C27 | H25 | 60.0° | 60.0° |
| C29 | C7 | C28 | H26 | 61.0° | 60.0° |
| C29 | C7 | C28 | H27 | 179.0° | 60.0° |
| C29 | C7 | C28 | H28 | 59.0° | 180.0° |
| C7 | C29 | H29 | H30 | 120.0° | 120.0° |
| C7 | C29 | H29 | H31 | 120.0° | 120.0° |
| C7 | C29 | H30 | H31 | 120.0° | 119.9° |
| C29 | C7 | N8 | H49 | 125.2° | 0.0° |
| O9 | C8 | C1 | O5 | 172.1° | 5.0° |
| O9 | C8 | C1 | C17 | 123.1° | 120.0° |
| O9 | C8 | C1 | H44 | 117.3° | 120.0° |
| O9 | C8 | C17 | H44 | 119.1° | 119.9° |
| O9 | C8 | C17 | N16 | 46.5° | 60.0° |
| O9 | C8 | C17 | C19 | 166.0° | 60.0° |
| O9 | C8 | C17 | H6 | 70.7° | 180.0° |
| O5 | C1 | C8 | C17 | 64.8° | 115.0° |
| O5 | C1 | C8 | H44 | 54.8° | 125.0° |
| O5 | C1 | N2 | H47 | 163.9° | 180.0° |
| C1 | C8 | C17 | H44 | 119.9° | 120.0° |
| C1 | C8 | C17 | N16 | 167.4° | 60.0° |
| C1 | C8 | C17 | C19 | 73.1° | 180.0° |
| C1 | C8 | C17 | H6 | 50.2° | 60.0° |
| C8 | C1 | N2 | H47 | 14.9° | 0.3° |
| C1 | C8 | O9 | H50 | 180.0° | 60.1° |
| N8 | C7 | C27 | H23 | 56.1° | 180.0° |
| N8 | C7 | C27 | H24 | 63.9° | 59.9° |
| N8 | C7 | C27 | H25 | 176.1° | 60.0° |
| N8 | C7 | C28 | H26 | 59.5° | 180.0° |
| N8 | C7 | C28 | H27 | 60.5° | 60.0° |
| N8 | C7 | C28 | H28 | 179.5° | 60.0° |
| N8 | C7 | C29 | H29 | 57.0° | 60.0° |
| N8 | C7 | C29 | H30 | 177.0° | 60.0° |
| N8 | C7 | C29 | H31 | 63.0° | 180.0° |
| C28 | C7 | C27 | H23 | 63.0° | 60.0° |
| C28 | C7 | C27 | H24 | 177.0° | 60.0° |
| C28 | C7 | C27 | H25 | 57.0° | 179.9° |
| C7 | C28 | H26 | H27 | 120.0° | 119.9° |
| C7 | C28 | H26 | H28 | 120.0° | 120.0° |
| C7 | C28 | H27 | H28 | 120.0° | 120.0° |
| C28 | C7 | C29 | H29 | 61.1° | 180.0° |
| C28 | C7 | C29 | H30 | 58.9° | 60.0° |
| C28 | C7 | C29 | H31 | 178.9° | 59.9° |
| C28 | C7 | N8 | H49 | 7.9° | 120.0° |
| C8 | C17 | N16 | C19 | 124.7° | 120.0° |
| C8 | C17 | N16 | H6 | 116.5° | 120.0° |
| C8 | C17 | C19 | H6 | 123.4° | 120.0° |
| C8 | C17 | C19 | C20 | 178.8° | 66.1° |
| C8 | C17 | C19 | H7 | 60.9° | 173.9° |
| C8 | C17 | C19 | H8 | 58.5° | 53.8° |
| C8 | C17 | N16 | H46 | 76.9° | 28.3° |
| C17 | C8 | O9 | H50 | 55.3° | 59.9° |
| N16 | C17 | C19 | H6 | 119.6° | 119.9° |
| N16 | C17 | C19 | C20 | 64.2° | 173.8° |
| N16 | C17 | C19 | H7 | 56.1° | 53.8° |
| N16 | C17 | C19 | H8 | 175.5° | 66.2° |
| N16 | C17 | C8 | H44 | 72.6° | 179.9° |
| C17 | C19 | C20 | H7 | 120.3° | 120.1° |
| C17 | C19 | C20 | H8 | 120.3° | 120.0° |
| C17 | C19 | C20 | C24 | 168.5° | 66.2° |
| C17 | C19 | H7 | H8 | 119.1° | 120.0° |
| C17 | C19 | C20 | H9 | 46.6° | 56.2° |
| C19 | C17 | C8 | H44 | 46.8° | 59.9° |
| C19 | C17 | N16 | H46 | 47.7° | 91.7° |
| C19 | C20 | C24 | H9 | 121.7° | 122.4° |
| C19 | C20 | C24 | N23 | 135.4° | 102.5° |
| C19 | C20 | C24 | O26 | 45.3° | 77.5° |
| C20 | C19 | C17 | H6 | 55.3° | 53.9° |
| C20 | C19 | H7 | H8 | 119.0° | 119.9° |
| C19 | C20 | C21 | H10 | 99.9° | 24.2° |
| C19 | C20 | C21 | H11 | 21.5° | 148.0° |
| C20 | C24 | N23 | O26 | 179.3° | 180.0° |
| C24 | C20 | C19 | H7 | 48.2° | 53.8° |
| C24 | C20 | C19 | H8 | 71.2° | 173.8° |
| C24 | C20 | C21 | H10 | 137.4° | 142.9° |
| C24 | C20 | C21 | H11 | 101.3° | 93.3° |
| C20 | C24 | N23 | H48 | 178.1° | 179.6° |
| N23 | C24 | C20 | H9 | 102.9° | 135.1° |
| C24 | N23 | C22 | H12 | 129.4° | 102.0° |
| C24 | N23 | C22 | H13 | 109.1° | 136.1° |
| O26 | C24 | C20 | H9 | 76.4° | 44.9° |
| O26 | C24 | N23 | H48 | 1.2° | 0.4° |
| H1 | C11 | N10 | H45 | 172.9° | 145.0° |
| H2 | C13 | C16 | H5 | 22.6° | 44.2° |
| H3 | C13 | C16 | H5 | 98.9° | 78.3° |
| H4 | C14 | C34 | H40 | 92.4° | 77.7° |
| H5 | C16 | C34 | H40 | 0.4° | 0.9° |
| H6 | C17 | C19 | H7 | 175.6° | 66.1° |
| H6 | C17 | C19 | H8 | 65.0° | 173.9° |
| H6 | C17 | C8 | H44 | 170.2° | 60.0° |
| H6 | C17 | N16 | H46 | 166.6° | 148.4° |
| H7 | C19 | C20 | H9 | 73.7° | 176.3° |
| H8 | C19 | C20 | H9 | 166.9° | 63.8° |
| H9 | C20 | C21 | H10 | 21.5° | 98.4° |
| H9 | C20 | C21 | H11 | 142.9° | 25.4° |
| H10 | C21 | C22 | H12 | 103.9° | 24.5° |
| H10 | C21 | C22 | H13 | 17.6° | 97.4° |
| H11 | C21 | C22 | H12 | 17.5° | 148.3° |
| H11 | C21 | C22 | H13 | 138.9° | 26.3° |
| H12 | C22 | N23 | H48 | 50.6° | 78.0° |
| H13 | C22 | N23 | H48 | 70.9° | 44.0° |
| H14 | C23 | H15 | H16 | 120.0° | 120.1° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
| H20 | C26 | H21 | H22 | 120.0° | 120.0° |
| H23 | C27 | H24 | H25 | 120.0° | 120.0° |
| H26 | C28 | H27 | H28 | 120.0° | 120.1° |
| H29 | C29 | H30 | H31 | 120.0° | 120.1° |
| H32 | C3 | C4 | H41 | 59.5° | 60.0° |
| H32 | C3 | C4 | H42 | 60.5° | 180.0° |
| H32 | C3 | C4 | H43 | 179.5° | 60.0° |
| H32 | C3 | N2 | H47 | 88.2° | 120.0° |
| H33 | C3 | C4 | H41 | 59.5° | 179.9° |
| H33 | C3 | C4 | H42 | 179.5° | 60.1° |
| H33 | C3 | C4 | H43 | 60.5° | 60.0° |
| H33 | C3 | N2 | H47 | 152.8° | 120.0° |
| H34 | C31 | H35 | H36 | 120.0° | 120.1° |
| H37 | C32 | H38 | H39 | 120.0° | 120.0° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| H44 | C8 | O9 | H50 | 63.2° | 179.9° |
