8H3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C30 | C11 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C13 | C16 | sing | 1.54Å | 1.54Å | |
| C13 | N13 | sing | 1.48Å | 1.46Å | |
| C16 | C34 | sing | 1.54Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| O29 | C9 | doub | 1.22Å | 1.23Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C3 | N2 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| C29 | C7 | sing | 1.53Å | 1.53Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| N13 | C14 | sing | 1.48Å | 1.45Å | |
| C12 | O33 | doub | 1.21Å | 1.23Å | |
| C9 | N10 | sing | 1.35Å | 1.32Å | |
| C9 | N8 | sing | 1.35Å | 1.34Å | |
| C34 | C18 | sing | 1.53Å | 1.53Å | |
| C34 | C14 | sing | 1.54Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C18 | C25 | sing | 1.53Å | 1.54Å | |
| C18 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| N8 | C7 | sing | 1.46Å | 1.45Å | |
| C7 | C28 | sing | 1.53Å | 1.52Å | |
| C7 | C27 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C1 | C8 | sing | 1.51Å | 1.49Å | |
| C1 | O5 | doub | 1.21Å | 1.21Å | |
| O9 | C8 | sing | 1.43Å | 1.44Å | |
| C17 | N16 | sing | 1.46Å | 1.45Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| N10 | H48 | sing | 0.97Å | 1.00Å | |
| N16 | H49 | sing | 0.97Å | 1.00Å | |
| N2 | H50 | sing | 0.97Å | 1.00Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| O9 | H52 | sing | 0.97Å | 0.95Å | |
| C22 | H53 | sing | 1.09Å | 1.10Å | |
| N23 | H54 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C2 | C4 | 111.6° | 109.5° |
| C5 | C2 | H9 | 109.0° | 109.5° |
| C5 | C2 | H10 | 109.0° | 109.5° |
| C2 | C5 | H44 | 109.5° | 109.5° |
| C2 | C5 | H45 | 109.4° | 109.5° |
| C2 | C5 | H46 | 109.5° | 109.4° |
| C2 | C4 | C3 | 113.1° | 109.5° |
| C4 | C2 | H9 | 109.0° | 109.5° |
| C4 | C2 | H10 | 108.9° | 109.4° |
| C2 | C4 | H42 | 108.6° | 109.5° |
| C2 | C4 | H43 | 108.5° | 109.5° |
| C26 | C30 | C31 | 108.6° | 109.5° |
| C26 | C30 | C11 | 107.3° | 109.5° |
| C26 | C30 | C32 | 108.5° | 109.4° |
| C30 | C26 | H21 | 109.5° | 109.4° |
| C30 | C26 | H22 | 109.4° | 109.5° |
| C30 | C26 | H23 | 109.5° | 109.5° |
| C31 | C30 | C11 | 111.9° | 109.5° |
| C31 | C30 | C32 | 111.3° | 109.5° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.5° |
| C30 | C31 | H37 | 109.4° | 109.5° |
| C4 | C3 | N2 | 111.2° | 109.5° |
| C4 | C3 | H33 | 109.0° | 109.5° |
| C4 | C3 | H34 | 109.0° | 109.4° |
| C3 | C4 | H42 | 108.6° | 109.5° |
| C3 | C4 | H43 | 108.6° | 109.4° |
| C11 | C30 | C32 | 109.1° | 109.5° |
| C30 | C11 | C12 | 117.1° | 109.5° |
| C30 | C11 | N10 | 107.4° | 109.5° |
| C30 | C11 | H1 | 106.9° | 109.5° |
| C30 | C32 | H38 | 109.5° | 109.5° |
| C30 | C32 | H39 | 109.5° | 109.5° |
| C30 | C32 | H40 | 109.4° | 109.5° |
| C16 | C13 | N13 | 106.3° | 104.6° |
| C13 | C16 | C34 | 106.9° | 105.0° |
| C13 | C16 | C18 | 114.4° | 118.2° |
| C16 | C13 | H2 | 110.3° | 110.4° |
| C16 | C13 | H3 | 110.3° | 110.4° |
| C13 | C16 | H5 | 120.1° | 117.6° |
| C13 | N13 | C12 | 130.0° | 127.8° |
| C13 | N13 | C14 | 112.2° | 104.3° |
| N13 | C13 | H2 | 110.3° | 110.4° |
| N13 | C13 | H3 | 110.3° | 110.4° |
| C34 | C16 | C18 | 60.1° | 59.7° |
| C16 | C34 | C18 | 60.6° | 59.7° |
| C16 | C34 | C14 | 107.3° | 104.9° |
| C34 | C16 | H5 | 120.4° | 121.8° |
| C16 | C34 | H41 | 119.0° | 121.8° |
| C16 | C18 | C34 | 59.3° | 60.6° |
| C16 | C18 | C25 | 115.0° | 117.4° |
| C16 | C18 | C23 | 110.7° | 117.4° |
| C18 | C16 | H5 | 120.0° | 120.2° |
| O29 | C9 | N10 | 117.8° | 120.0° |
| O29 | C9 | N8 | 125.2° | 120.0° |
| O38 | C15 | C14 | 122.8° | 120.0° |
| O38 | C15 | N16 | 123.0° | 120.0° |
| C3 | N2 | C1 | 124.1° | 120.0° |
| N2 | C3 | H33 | 109.0° | 109.5° |
| N2 | C3 | H34 | 109.0° | 109.4° |
| C3 | N2 | H50 | 117.9° | 120.0° |
| C12 | C11 | N10 | 110.2° | 109.5° |
| C11 | C12 | N13 | 117.3° | 120.0° |
| C11 | C12 | O33 | 121.7° | 120.0° |
| C12 | C11 | H1 | 107.0° | 109.4° |
| C11 | N10 | C9 | 116.1° | 120.0° |
| N10 | C11 | H1 | 107.9° | 109.5° |
| C11 | N10 | H48 | 121.9° | 120.0° |
| C29 | C7 | N8 | 112.7° | 109.5° |
| C29 | C7 | C28 | 111.7° | 109.5° |
| C29 | C7 | C27 | 106.4° | 109.5° |
| C7 | C29 | H30 | 109.5° | 109.5° |
| C7 | C29 | H31 | 109.5° | 109.4° |
| C7 | C29 | H32 | 109.5° | 109.5° |
| N2 | C1 | C8 | 117.1° | 120.0° |
| N2 | C1 | O5 | 125.3° | 120.0° |
| C1 | N2 | H50 | 117.9° | 120.0° |
| C12 | N13 | C14 | 117.8° | 127.9° |
| N13 | C12 | O33 | 120.9° | 120.0° |
| N13 | C14 | C34 | 106.8° | 104.6° |
| N13 | C14 | C15 | 110.3° | 110.5° |
| N13 | C14 | H4 | 110.7° | 110.4° |
| N10 | C9 | N8 | 117.0° | 120.0° |
| C9 | N10 | H48 | 121.9° | 120.0° |
| C9 | N8 | C7 | 125.7° | 120.0° |
| C9 | N8 | H51 | 117.1° | 119.9° |
| C18 | C34 | C14 | 117.7° | 118.2° |
| C34 | C18 | C25 | 115.6° | 117.5° |
| C34 | C18 | C23 | 126.1° | 117.4° |
| C18 | C34 | H41 | 118.7° | 119.5° |
| C34 | C14 | C15 | 109.4° | 110.4° |
| C34 | C14 | H4 | 109.7° | 110.4° |
| C14 | C34 | H41 | 119.0° | 118.2° |
| C14 | C15 | N16 | 114.2° | 120.0° |
| C15 | C14 | H4 | 109.9° | 110.3° |
| C15 | N16 | C17 | 121.7° | 120.0° |
| C15 | N16 | H49 | 119.1° | 120.0° |
| C25 | C18 | C23 | 115.6° | 115.6° |
| C18 | C25 | H18 | 109.5° | 109.5° |
| C18 | C25 | H19 | 109.5° | 109.5° |
| C18 | C25 | H20 | 109.4° | 109.5° |
| C18 | C23 | H15 | 109.5° | 109.4° |
| C18 | C23 | H16 | 109.5° | 109.5° |
| C18 | C23 | H17 | 109.5° | 109.5° |
| C22 | C21 | C20 | 105.5° | 101.7° |
| C21 | C22 | N23 | 105.9° | 105.5° |
| C22 | C21 | H12 | 110.4° | 111.0° |
| C22 | C21 | H13 | 110.4° | 111.0° |
| C21 | C22 | H14 | 110.3° | 110.2° |
| C21 | C22 | H53 | 110.3° | 110.2° |
| C21 | C20 | C19 | 107.5° | 110.5° |
| C21 | C20 | C24 | 104.6° | 104.2° |
| C21 | C20 | H11 | 109.9° | 110.5° |
| C20 | C21 | H12 | 110.4° | 111.0° |
| C20 | C21 | H13 | 110.5° | 110.9° |
| N8 | C7 | C28 | 105.7° | 109.5° |
| N8 | C7 | C27 | 109.6° | 109.5° |
| C7 | N8 | H51 | 117.2° | 120.0° |
| C28 | C7 | C27 | 110.8° | 109.4° |
| C7 | C28 | H27 | 109.5° | 109.4° |
| C7 | C28 | H28 | 109.5° | 109.5° |
| C7 | C28 | H29 | 109.5° | 109.5° |
| C7 | C27 | H24 | 109.5° | 109.5° |
| C7 | C27 | H25 | 109.5° | 109.5° |
| C7 | C27 | H26 | 109.5° | 109.4° |
| C22 | N23 | C24 | 112.9° | 111.3° |
| N23 | C22 | H14 | 110.4° | 110.3° |
| N23 | C22 | H53 | 110.3° | 110.3° |
| C22 | N23 | H54 | 123.5° | 124.4° |
| C8 | C1 | O5 | 117.6° | 120.0° |
| C1 | C8 | O9 | 108.2° | 109.5° |
| C1 | C8 | C17 | 109.7° | 109.5° |
| C1 | C8 | H47 | 108.3° | 109.5° |
| O9 | C8 | C17 | 113.7° | 109.5° |
| O9 | C8 | H47 | 108.9° | 109.5° |
| C8 | O9 | H52 | 109.5° | 114.1° |
| N16 | C17 | C8 | 111.0° | 109.5° |
| N16 | C17 | C19 | 106.1° | 109.5° |
| N16 | C17 | H6 | 108.9° | 109.5° |
| C17 | N16 | H49 | 119.2° | 120.0° |
| C8 | C17 | C19 | 114.8° | 109.5° |
| C8 | C17 | H6 | 107.9° | 109.5° |
| C17 | C8 | H47 | 107.9° | 109.5° |
| C17 | C19 | C20 | 106.6° | 109.5° |
| C19 | C17 | H6 | 108.0° | 109.4° |
| C17 | C19 | H7 | 110.2° | 109.4° |
| C17 | C19 | H8 | 110.2° | 109.4° |
| C19 | C20 | C24 | 114.6° | 110.5° |
| C20 | C19 | H7 | 110.2° | 109.5° |
| C20 | C19 | H8 | 110.2° | 109.5° |
| C19 | C20 | H11 | 109.9° | 110.5° |
| C20 | C24 | N23 | 110.9° | 110.1° |
| C20 | C24 | O26 | 124.4° | 124.9° |
| C24 | C20 | H11 | 110.1° | 110.5° |
| N23 | C24 | O26 | 124.6° | 125.0° |
| C24 | N23 | H54 | 123.5° | 124.3° |
| H2 | C13 | H3 | 109.4° | 110.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.5° | 110.9° |
| H14 | C22 | H53 | 109.5° | 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 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.4° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H21 | C26 | H23 | 109.4° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H24 | C27 | H26 | 109.5° | 109.4° |
| 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 | 109.4° | 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 | 109.5° | 109.4° |
| H35 | C31 | H37 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.4° |
| H38 | C32 | H39 | 109.4° | 109.5° |
| H38 | C32 | H40 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.4° |
| H44 | C5 | H45 | 109.5° | 109.5° |
| H44 | C5 | H46 | 109.5° | 109.5° |
| H45 | C5 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C2 | C4 | H9 | 120.3° | 120.0° |
| C5 | C2 | C4 | H10 | 120.3° | 120.0° |
| C5 | C2 | C4 | C3 | 162.2° | 180.0° |
| C5 | C2 | H9 | H10 | 119.0° | 120.1° |
| C5 | C2 | C4 | H42 | 41.7° | 60.0° |
| C5 | C2 | C4 | H43 | 77.2° | 60.0° |
| C2 | C5 | H44 | H45 | 120.0° | 120.0° |
| C2 | C5 | H44 | H46 | 120.0° | 120.0° |
| C2 | C5 | H45 | H46 | 120.0° | 119.9° |
| C2 | C4 | C3 | H42 | 120.6° | 120.1° |
| C2 | C4 | C3 | H43 | 120.5° | 120.0° |
| C2 | C4 | C3 | N2 | 90.4° | 180.0° |
| C4 | C2 | H9 | H10 | 119.0° | 119.9° |
| C2 | C4 | C3 | H33 | 149.3° | 60.0° |
| C2 | C4 | C3 | H34 | 29.8° | 60.0° |
| C2 | C4 | H42 | H43 | 118.3° | 120.0° |
| C4 | C2 | C5 | H44 | 180.0° | 60.0° |
| C4 | C2 | C5 | H45 | 60.0° | 60.1° |
| C4 | C2 | C5 | H46 | 60.0° | 180.0° |
| C26 | C30 | C31 | C11 | 118.3° | 120.0° |
| C26 | C30 | C31 | C32 | 119.4° | 120.0° |
| C26 | C30 | C11 | C32 | 117.4° | 120.0° |
| C26 | C30 | C11 | C12 | 152.4° | 61.7° |
| C26 | C30 | C11 | N10 | 83.1° | 178.3° |
| C26 | C30 | C11 | H1 | 32.5° | 58.3° |
| C30 | C26 | H21 | H22 | 120.0° | 120.0° |
| C30 | C26 | H21 | H23 | 120.0° | 120.0° |
| C30 | C26 | H22 | H23 | 120.0° | 120.0° |
| C26 | C30 | C31 | H35 | 180.0° | 60.0° |
| C26 | C30 | C31 | H36 | 60.0° | 180.0° |
| C26 | C30 | C31 | H37 | 60.0° | 60.0° |
| C26 | C30 | C32 | H38 | 180.0° | 60.0° |
| C26 | C30 | C32 | H39 | 60.0° | 180.0° |
| C26 | C30 | C32 | H40 | 60.0° | 60.0° |
| C31 | C30 | C11 | C32 | 123.6° | 120.0° |
| C31 | C30 | C11 | C12 | 33.3° | 178.3° |
| C31 | C30 | C11 | N10 | 157.9° | 58.3° |
| C31 | C30 | C11 | H1 | 86.6° | 61.7° |
| C31 | C30 | C26 | H21 | 180.0° | 57.7° |
| C31 | C30 | C26 | H22 | 60.0° | 62.3° |
| C31 | C30 | C26 | H23 | 60.0° | 177.7° |
| C30 | C31 | H35 | H36 | 120.0° | 120.0° |
| C30 | C31 | H35 | H37 | 120.0° | 120.0° |
| C30 | C31 | H36 | H37 | 120.0° | 120.0° |
| C31 | C30 | C32 | H38 | 60.5° | 60.0° |
| C31 | C30 | C32 | H39 | 59.4° | 60.0° |
| C31 | C30 | C32 | H40 | 179.4° | 180.0° |
| C4 | C3 | N2 | H33 | 120.3° | 120.1° |
| C4 | C3 | N2 | H34 | 120.3° | 119.9° |
| C4 | C3 | N2 | C1 | 145.7° | 180.0° |
| C3 | C4 | C2 | H9 | 77.4° | 60.0° |
| C3 | C4 | C2 | H10 | 41.9° | 60.0° |
| C4 | C3 | H33 | H34 | 119.2° | 120.0° |
| C3 | C4 | H42 | H43 | 118.4° | 119.9° |
| C4 | C3 | N2 | H50 | 34.3° | 0.0° |
| C30 | C11 | C12 | N10 | 123.1° | 120.0° |
| C30 | C11 | C12 | H1 | 119.9° | 120.0° |
| C30 | C11 | N10 | H1 | 114.9° | 120.0° |
| C30 | C11 | C12 | N13 | 124.2° | 93.2° |
| C30 | C11 | C12 | O33 | 59.4° | 86.8° |
| C30 | C11 | N10 | C9 | 110.3° | 85.0° |
| C11 | C30 | C26 | H21 | 58.8° | 62.3° |
| C11 | C30 | C26 | H22 | 178.9° | 177.7° |
| C11 | C30 | C26 | H23 | 61.2° | 57.7° |
| C11 | C30 | C31 | H35 | 61.7° | 60.0° |
| C11 | C30 | C31 | H36 | 58.3° | 60.0° |
| C11 | C30 | C31 | H37 | 178.3° | 180.0° |
| C11 | C30 | C32 | H38 | 63.4° | 180.0° |
| C11 | C30 | C32 | H39 | 176.6° | 60.0° |
| C11 | C30 | C32 | H40 | 56.6° | 60.0° |
| C30 | C11 | N10 | H48 | 69.7° | 95.0° |
| C32 | C30 | C11 | C12 | 90.2° | 58.3° |
| C32 | C30 | C11 | N10 | 34.3° | 61.7° |
| C32 | C30 | C11 | H1 | 149.8° | 178.3° |
| C32 | C30 | C26 | H21 | 58.9° | 177.7° |
| C32 | C30 | C26 | H22 | 61.1° | 57.7° |
| C32 | C30 | C26 | H23 | 178.9° | 62.3° |
| C32 | C30 | C31 | H35 | 60.6° | 180.0° |
| C32 | C30 | C31 | H36 | 179.4° | 60.0° |
| C32 | C30 | C31 | H37 | 59.4° | 60.0° |
| C30 | C32 | H38 | H39 | 120.0° | 120.0° |
| C30 | C32 | H38 | H40 | 120.0° | 120.0° |
| C30 | C32 | H39 | H40 | 120.0° | 120.0° |
| C16 | C13 | N13 | H2 | 119.5° | 118.8° |
| C16 | C13 | N13 | H3 | 119.5° | 118.8° |
| C13 | C16 | C34 | C18 | 108.9° | 114.2° |
| C13 | C16 | C34 | H5 | 141.8° | 136.9° |
| C13 | C16 | C18 | H5 | 153.9° | 157.0° |
| C16 | C13 | N13 | C12 | 172.5° | 140.4° |
| C16 | C13 | N13 | C14 | 5.1° | 39.6° |
| C13 | C16 | C34 | C14 | 3.6° | 0.0° |
| C13 | C16 | C18 | C25 | 157.8° | 160.8° |
| C13 | C16 | C18 | C23 | 24.5° | 16.0° |
| C16 | C13 | H2 | H3 | 121.5° | 122.4° |
| C13 | C16 | C34 | H41 | 142.5° | 137.8° |
| N13 | C13 | C16 | C34 | 0.7° | 23.9° |
| N13 | C13 | C16 | C18 | 63.6° | 39.5° |
| C13 | N13 | C12 | C11 | 8.1° | 4.9° |
| C13 | N13 | C12 | C14 | 177.5° | 179.9° |
| C13 | N13 | C12 | O33 | 175.5° | 175.1° |
| C13 | N13 | C14 | C34 | 7.4° | 39.6° |
| C13 | N13 | C14 | C15 | 111.4° | 79.3° |
| N13 | C13 | H2 | H3 | 121.5° | 122.4° |
| C13 | N13 | C14 | H4 | 126.7° | 158.4° |
| N13 | C13 | C16 | H5 | 142.6° | 162.9° |
| C34 | C16 | C18 | H5 | 110.0° | 111.5° |
| C16 | C34 | C14 | N13 | 6.6° | 23.9° |
| C16 | C34 | C18 | C14 | 95.2° | 91.5° |
| C16 | C34 | C18 | H41 | 109.0° | 111.8° |
| C16 | C34 | C14 | H41 | 138.9° | 139.6° |
| C16 | C34 | C14 | C15 | 112.8° | 95.0° |
| C34 | C16 | C18 | C25 | 106.1° | 107.7° |
| C34 | C16 | C18 | C23 | 120.6° | 107.6° |
| C34 | C16 | C13 | H2 | 118.8° | 94.9° |
| C34 | C16 | C13 | H3 | 120.2° | 142.6° |
| C16 | C34 | C14 | H4 | 126.6° | 142.7° |
| C16 | C18 | C25 | C23 | 131.0° | 145.4° |
| C18 | C16 | C13 | H2 | 176.9° | 158.3° |
| C18 | C16 | C13 | H3 | 55.9° | 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° | 128.7° |
| C16 | C18 | C25 | H20 | 60.0° | 111.4° |
| O29 | C9 | N10 | C11 | 5.5° | 0.0° |
| O29 | C9 | N10 | N8 | 178.4° | 180.0° |
| O29 | C9 | N8 | C7 | 9.2° | 0.0° |
| O29 | C9 | N10 | H48 | 174.6° | 180.0° |
| O29 | C9 | N8 | H51 | 170.8° | 180.0° |
| O38 | C15 | C14 | N13 | 50.6° | 16.9° |
| O38 | C15 | C14 | C34 | 66.6° | 98.3° |
| O38 | C15 | C14 | N16 | 179.9° | 180.0° |
| O38 | C15 | N16 | C17 | 3.6° | 5.1° |
| O38 | C15 | C14 | H4 | 172.9° | 139.3° |
| O38 | C15 | N16 | H49 | 176.4° | 175.0° |
| C3 | N2 | C1 | H50 | 180.0° | 180.0° |
| C3 | N2 | C1 | C8 | 142.4° | 180.0° |
| C3 | N2 | C1 | O5 | 38.8° | 0.3° |
| N2 | C3 | H33 | H34 | 119.2° | 120.0° |
| N2 | C3 | C4 | H42 | 30.1° | 59.9° |
| N2 | C3 | C4 | H43 | 149.0° | 60.0° |
| C12 | C11 | N10 | H1 | 116.5° | 120.0° |
| C11 | C12 | N13 | O33 | 176.4° | 179.9° |
| C11 | C12 | N13 | C14 | 169.4° | 175.1° |
| C12 | C11 | N10 | C9 | 121.1° | 155.0° |
| C12 | C11 | N10 | H48 | 58.9° | 25.0° |
| N10 | C11 | C12 | N13 | 112.7° | 146.8° |
| N10 | C11 | C12 | O33 | 63.7° | 33.2° |
| C11 | N10 | C9 | H48 | 180.0° | 180.0° |
| C11 | N10 | C9 | N8 | 172.9° | 180.0° |
| C29 | C7 | N8 | C9 | 50.6° | 60.0° |
| C29 | C7 | N8 | C28 | 122.2° | 120.0° |
| C29 | C7 | N8 | C27 | 118.3° | 120.0° |
| C29 | C7 | C28 | C27 | 118.5° | 120.0° |
| C29 | C7 | C27 | H24 | 180.0° | 59.9° |
| C29 | C7 | C27 | H25 | 60.0° | 180.0° |
| C29 | C7 | C27 | H26 | 60.0° | 60.0° |
| C29 | C7 | C28 | H27 | 180.0° | 60.0° |
| C29 | C7 | C28 | H28 | 60.0° | 180.0° |
| C29 | C7 | C28 | H29 | 60.0° | 60.0° |
| 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 | 129.4° | 120.0° |
| N2 | C1 | C8 | O5 | 178.9° | 179.7° |
| N2 | C1 | C8 | O9 | 28.9° | 174.7° |
| N2 | C1 | C8 | C17 | 95.7° | 65.3° |
| C1 | N2 | C3 | H33 | 25.4° | 60.0° |
| C1 | N2 | C3 | H34 | 94.0° | 60.0° |
| N2 | C1 | C8 | H47 | 146.8° | 54.7° |
| C12 | N13 | C14 | C34 | 170.5° | 140.4° |
| C12 | N13 | C14 | C15 | 70.7° | 100.8° |
| N13 | C12 | C11 | H1 | 4.3° | 26.8° |
| C12 | N13 | C13 | H2 | 68.0° | 100.8° |
| C12 | N13 | C13 | H3 | 53.0° | 21.6° |
| C12 | N13 | C14 | H4 | 51.2° | 21.6° |
| C14 | N13 | C12 | O33 | 7.0° | 5.0° |
| N13 | C14 | C34 | C18 | 58.7° | 39.5° |
| N13 | C14 | C34 | C15 | 119.4° | 118.9° |
| N13 | C14 | C34 | H4 | 120.0° | 118.8° |
| N13 | C14 | C15 | H4 | 122.3° | 122.4° |
| N13 | C14 | C15 | N16 | 129.3° | 163.1° |
| C14 | N13 | C13 | H2 | 114.4° | 79.2° |
| C14 | N13 | C13 | H3 | 124.6° | 158.3° |
| N13 | C14 | C34 | H41 | 145.5° | 163.5° |
| O33 | C12 | C11 | H1 | 179.3° | 153.2° |
| N10 | C9 | N8 | C7 | 172.6° | 180.0° |
| C9 | N10 | C11 | H1 | 4.6° | 35.0° |
| N10 | C9 | N8 | H51 | 7.4° | 0.0° |
| C9 | N8 | C7 | H51 | 180.0° | 180.0° |
| C9 | N8 | C7 | C28 | 71.6° | 180.0° |
| C9 | N8 | C7 | C27 | 168.9° | 60.0° |
| N8 | C9 | N10 | H48 | 7.1° | 0.0° |
| C18 | C34 | C14 | H41 | 155.7° | 157.0° |
| C18 | C34 | C14 | C15 | 178.1° | 158.4° |
| C34 | C18 | C25 | C23 | 162.6° | 145.4° |
| C18 | C34 | C14 | H4 | 61.2° | 79.3° |
| C34 | C18 | C23 | H15 | 113.5° | 179.4° |
| C34 | C18 | C23 | H16 | 6.5° | 59.4° |
| C34 | C18 | C23 | H17 | 126.4° | 60.6° |
| C34 | C18 | C25 | H18 | 113.7° | 60.6° |
| C34 | C18 | C25 | H19 | 126.4° | 59.4° |
| C34 | C18 | C25 | H20 | 6.3° | 179.3° |
| C34 | C14 | C15 | H4 | 120.5° | 122.4° |
| C34 | C14 | C15 | N16 | 113.5° | 81.6° |
| C14 | C34 | C18 | C25 | 159.7° | 160.9° |
| C14 | C34 | C18 | C23 | 0.9° | 16.1° |
| C14 | C34 | C16 | H5 | 138.1° | 136.9° |
| C14 | C15 | N16 | C17 | 176.3° | 174.9° |
| C15 | C14 | C34 | H41 | 26.1° | 44.6° |
| C14 | C15 | N16 | H49 | 3.8° | 5.0° |
| C15 | N16 | C17 | H49 | 180.0° | 179.9° |
| C15 | N16 | C17 | C8 | 100.2° | 151.6° |
| C15 | N16 | C17 | C19 | 134.4° | 88.3° |
| N16 | C15 | C14 | H4 | 7.0° | 40.7° |
| C15 | N16 | C17 | H6 | 18.4° | 31.6° |
| C25 | C18 | C16 | H5 | 3.9° | 3.8° |
| C25 | C18 | C23 | H15 | 47.0° | 34.0° |
| C25 | C18 | C23 | H16 | 167.0° | 86.0° |
| C25 | C18 | C23 | H17 | 73.0° | 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 | H41 | 3.9° | 4.1° |
| C23 | C18 | C16 | H5 | 129.4° | 141.0° |
| C18 | C23 | H15 | H16 | 120.0° | 119.9° |
| C18 | C23 | H15 | H17 | 120.0° | 120.0° |
| C18 | C23 | H16 | H17 | 120.0° | 120.1° |
| C23 | C18 | C25 | H18 | 49.0° | 154.0° |
| C23 | C18 | C25 | H19 | 71.0° | 86.0° |
| C23 | C18 | C25 | H20 | 169.0° | 34.0° |
| C23 | C18 | C34 | H41 | 156.6° | 140.6° |
| C22 | C21 | C20 | H12 | 119.4° | 118.1° |
| C22 | C21 | C20 | H13 | 119.4° | 118.1° |
| C21 | C22 | N23 | H14 | 119.4° | 119.0° |
| C21 | C22 | N23 | H53 | 119.4° | 118.9° |
| C22 | C21 | C20 | C19 | 124.3° | 93.9° |
| C22 | C21 | C20 | C24 | 2.1° | 24.8° |
| C21 | C22 | N23 | C24 | 0.1° | 17.1° |
| C22 | C21 | C20 | H11 | 116.1° | 143.5° |
| C22 | C21 | H12 | H13 | 121.8° | 123.9° |
| C21 | C22 | H14 | H53 | 121.6° | 121.9° |
| C21 | C22 | N23 | H54 | 180.0° | 163.0° |
| C20 | C21 | C22 | N23 | 1.3° | 25.5° |
| C21 | C20 | C19 | C17 | 78.1° | 179.0° |
| C21 | C20 | C19 | C24 | 115.8° | 114.8° |
| C21 | C20 | C19 | H11 | 119.6° | 122.6° |
| C21 | C20 | C24 | H11 | 118.0° | 118.8° |
| C21 | C20 | C24 | N23 | 2.3° | 16.2° |
| C21 | C20 | C24 | O26 | 178.3° | 163.7° |
| C21 | C20 | C19 | H7 | 162.3° | 61.0° |
| C21 | C20 | C19 | H8 | 41.4° | 59.0° |
| C20 | C21 | H12 | H13 | 121.9° | 123.8° |
| C20 | C21 | C22 | H14 | 120.8° | 93.6° |
| C20 | C21 | C22 | H53 | 118.1° | 144.4° |
| N8 | C7 | C28 | C27 | 118.6° | 120.0° |
| N8 | C7 | C27 | H24 | 57.8° | 180.0° |
| N8 | C7 | C27 | H25 | 62.2° | 60.0° |
| N8 | C7 | C27 | H26 | 177.8° | 60.1° |
| N8 | C7 | C28 | H27 | 57.1° | 60.0° |
| N8 | C7 | C28 | H28 | 177.1° | 60.0° |
| N8 | C7 | C28 | H29 | 62.9° | 180.0° |
| N8 | C7 | C29 | H30 | 180.0° | 180.0° |
| N8 | C7 | C29 | H31 | 60.0° | 60.0° |
| N8 | C7 | C29 | H32 | 60.0° | 60.0° |
| C28 | C7 | C27 | H24 | 58.4° | 60.1° |
| C28 | C7 | C27 | H25 | 178.4° | 60.0° |
| C28 | C7 | C27 | H26 | 61.6° | 180.0° |
| C7 | C28 | H27 | H28 | 120.0° | 120.0° |
| C7 | C28 | H27 | H29 | 120.0° | 120.0° |
| C7 | C28 | H28 | H29 | 120.0° | 120.0° |
| C28 | C7 | C29 | H30 | 61.2° | 60.0° |
| C28 | C7 | C29 | H31 | 178.9° | 180.0° |
| C28 | C7 | C29 | H32 | 58.9° | 60.0° |
| C28 | C7 | N8 | H51 | 108.3° | 0.0° |
| C7 | C27 | H24 | H25 | 120.0° | 120.0° |
| C7 | C27 | H24 | H26 | 120.0° | 119.9° |
| C7 | C27 | H25 | H26 | 120.0° | 120.0° |
| C27 | C7 | C28 | H27 | 61.5° | 180.0° |
| C27 | C7 | C28 | H28 | 58.5° | 60.0° |
| C27 | C7 | C28 | H29 | 178.5° | 60.0° |
| C27 | C7 | C29 | H30 | 59.9° | 60.0° |
| C27 | C7 | C29 | H31 | 60.1° | 60.0° |
| C27 | C7 | C29 | H32 | 179.9° | 180.0° |
| C27 | C7 | N8 | H51 | 11.1° | 120.0° |
| C22 | N23 | C24 | C20 | 1.5° | 0.4° |
| C22 | N23 | C24 | H54 | 180.0° | 179.9° |
| C22 | N23 | C24 | O26 | 179.1° | 179.6° |
| N23 | C22 | C21 | H12 | 120.7° | 143.6° |
| N23 | C22 | C21 | H13 | 118.0° | 92.6° |
| N23 | C22 | H14 | H53 | 121.7° | 122.1° |
| C1 | C8 | O9 | C17 | 122.2° | 120.0° |
| C1 | C8 | O9 | H47 | 117.5° | 120.0° |
| C1 | C8 | C17 | N16 | 157.2° | 60.0° |
| C1 | C8 | C17 | H47 | 117.8° | 120.0° |
| C1 | C8 | C17 | C19 | 82.5° | 180.0° |
| C1 | C8 | C17 | H6 | 37.9° | 60.0° |
| C8 | C1 | N2 | H50 | 37.6° | 0.0° |
| C1 | C8 | O9 | H52 | 180.0° | 60.0° |
| O5 | C1 | C8 | O9 | 152.3° | 5.0° |
| O5 | C1 | C8 | C17 | 83.2° | 115.0° |
| O5 | C1 | C8 | H47 | 34.3° | 125.0° |
| O5 | C1 | N2 | H50 | 141.2° | 179.7° |
| O9 | C8 | C17 | N16 | 35.9° | 60.0° |
| O9 | C8 | C17 | H47 | 120.9° | 120.0° |
| O9 | C8 | C17 | C19 | 156.2° | 60.1° |
| O9 | C8 | C17 | H6 | 83.4° | 180.0° |
| N16 | C17 | C8 | C19 | 120.3° | 120.0° |
| N16 | C17 | C8 | H6 | 119.3° | 120.0° |
| N16 | C17 | C19 | H6 | 116.7° | 120.0° |
| N16 | C17 | C19 | C20 | 65.9° | 173.8° |
| N16 | C17 | C19 | H7 | 53.6° | 53.8° |
| N16 | C17 | C19 | H8 | 174.5° | 66.2° |
| N16 | C17 | C8 | H47 | 85.1° | 180.0° |
| C8 | C17 | C19 | H6 | 120.3° | 120.0° |
| C8 | C17 | C19 | C20 | 171.1° | 66.1° |
| C8 | C17 | C19 | H7 | 69.4° | 173.9° |
| C8 | C17 | C19 | H8 | 51.5° | 53.9° |
| C8 | C17 | N16 | H49 | 79.7° | 28.3° |
| C17 | C8 | O9 | H52 | 57.9° | 60.0° |
| C17 | C19 | C20 | H7 | 119.5° | 120.0° |
| C17 | C19 | C20 | H8 | 119.5° | 120.0° |
| C17 | C19 | C20 | C24 | 166.1° | 66.3° |
| C17 | C19 | H7 | H8 | 121.3° | 119.9° |
| C17 | C19 | C20 | H11 | 41.5° | 56.3° |
| C19 | C17 | C8 | H47 | 35.3° | 59.9° |
| C19 | C17 | N16 | H49 | 45.6° | 91.7° |
| C19 | C20 | C24 | H11 | 124.5° | 122.6° |
| C19 | C20 | C24 | N23 | 119.8° | 102.4° |
| C19 | C20 | C24 | O26 | 60.8° | 77.6° |
| C20 | C19 | C17 | H6 | 50.7° | 53.9° |
| C20 | C19 | H7 | H8 | 121.4° | 120.1° |
| C19 | C20 | C21 | H12 | 116.3° | 24.2° |
| C19 | C20 | C21 | H13 | 5.0° | 148.0° |
| C20 | C24 | N23 | O26 | 179.4° | 180.0° |
| C24 | C20 | C19 | H7 | 46.5° | 53.7° |
| C24 | C20 | C19 | H8 | 74.4° | 173.8° |
| C24 | C20 | C21 | H12 | 121.5° | 142.9° |
| C24 | C20 | C21 | H13 | 117.2° | 93.3° |
| C20 | C24 | N23 | H54 | 178.5° | 179.7° |
| N23 | C24 | C20 | H11 | 115.8° | 135.0° |
| C24 | N23 | C22 | H14 | 119.4° | 101.9° |
| C24 | N23 | C22 | H53 | 119.5° | 136.0° |
| O26 | C24 | C20 | H11 | 63.6° | 45.0° |
| O26 | C24 | N23 | H54 | 0.9° | 0.3° |
| H1 | C11 | N10 | H48 | 175.4° | 145.0° |
| H2 | C13 | C16 | H5 | 23.1° | 44.1° |
| H3 | C13 | C16 | H5 | 97.9° | 78.3° |
| H4 | C14 | C34 | H41 | 94.5° | 77.7° |
| H5 | C16 | C34 | H41 | 0.8° | 0.9° |
| H6 | C17 | C19 | H7 | 170.3° | 66.2° |
| H6 | C17 | C19 | H8 | 68.8° | 173.9° |
| H6 | C17 | C8 | H47 | 155.7° | 60.0° |
| H6 | C17 | N16 | H49 | 161.7° | 148.3° |
| H7 | C19 | C20 | H11 | 78.1° | 176.3° |
| H8 | C19 | C20 | H11 | 161.0° | 63.6° |
| H9 | C2 | C4 | H42 | 162.0° | 60.1° |
| H9 | C2 | C4 | H43 | 43.2° | 180.0° |
| H9 | C2 | C5 | H44 | 59.6° | 180.0° |
| H9 | C2 | C5 | H45 | 60.4° | 59.9° |
| H9 | C2 | C5 | H46 | 179.7° | 60.0° |
| H10 | C2 | C4 | H42 | 78.6° | 180.0° |
| H10 | C2 | C4 | H43 | 162.5° | 60.0° |
| H10 | C2 | C5 | H44 | 59.7° | 60.0° |
| H10 | C2 | C5 | H45 | 179.7° | 180.0° |
| H10 | C2 | C5 | H46 | 60.3° | 60.0° |
| H11 | C20 | C21 | H12 | 3.3° | 98.4° |
| H11 | C20 | C21 | H13 | 124.5° | 25.4° |
| H12 | C21 | C22 | H14 | 119.8° | 24.5° |
| H12 | C21 | C22 | H53 | 1.3° | 97.5° |
| H13 | C21 | C22 | H14 | 1.4° | 148.3° |
| H13 | C21 | C22 | H53 | 122.5° | 26.4° |
| H14 | C22 | N23 | H54 | 60.6° | 78.0° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H18 | C25 | H19 | H20 | 120.0° | 120.0° |
| H21 | C26 | H22 | H23 | 120.0° | 120.1° |
| H24 | C27 | H25 | H26 | 120.0° | 120.0° |
| H27 | C28 | H28 | H29 | 119.9° | 120.0° |
| H30 | C29 | H31 | H32 | 120.0° | 120.0° |
| H33 | C3 | C4 | H42 | 90.1° | 180.0° |
| H33 | C3 | C4 | H43 | 28.8° | 60.1° |
| H33 | C3 | N2 | H50 | 154.5° | 120.0° |
| H34 | C3 | C4 | H42 | 150.4° | 60.0° |
| H34 | C3 | C4 | H43 | 90.7° | 179.9° |
| H34 | C3 | N2 | H50 | 86.0° | 120.0° |
| H35 | C31 | H36 | H37 | 120.0° | 120.0° |
| H38 | C32 | H39 | H40 | 120.0° | 120.0° |
| H44 | C5 | H45 | H46 | 120.0° | 120.0° |
| H47 | C8 | O9 | H52 | 62.4° | 180.0° |
| H53 | C22 | N23 | H54 | 60.5° | 44.1° |
