8GW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C30 | C11 | sing | 1.53Å | 1.54Å | |
| C30 | C26 | sing | 1.53Å | 1.52Å | |
| C13 | C16 | sing | 1.54Å | 1.52Å | |
| C13 | N13 | sing | 1.48Å | 1.46Å | |
| O29 | C9 | doub | 1.21Å | 1.23Å | |
| C16 | C34 | sing | 1.54Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C3 | N2 | sing | 1.46Å | 1.45Å | |
| C11 | N10 | sing | 1.47Å | 1.44Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.48Å | 1.45Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| C9 | N8 | sing | 1.35Å | 1.34Å | |
| C34 | C18 | sing | 1.53Å | 1.53Å | |
| C34 | C14 | sing | 1.54Å | 1.52Å | |
| C25 | C18 | sing | 1.53Å | 1.53Å | |
| C28 | C7 | sing | 1.53Å | 1.52Å | |
| N2 | C1 | sing | 1.35Å | 1.33Å | |
| C18 | C23 | sing | 1.53Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.23Å | |
| 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 | 1.53Å | |
| C27 | C7 | sing | 1.53Å | 1.52Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| O9 | C8 | sing | 1.43Å | 1.45Å | |
| N8 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | C29 | sing | 1.53Å | 1.52Å | |
| C1 | C8 | sing | 1.51Å | 1.48Å | |
| C1 | O5 | doub | 1.21Å | 1.21Å | |
| C17 | N16 | sing | 1.47Å | 1.45Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | 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 | |
| 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 | |
| O9 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C2 | C4 | 59.9° | 60.0° |
| C2 | C5 | C4 | 59.9° | 60.0° |
| C5 | C2 | H9 | 120.0° | 117.5° |
| C5 | C2 | H10 | 120.0° | 117.5° |
| C2 | C5 | H44 | 120.0° | 117.5° |
| C2 | C5 | H45 | 120.0° | 117.5° |
| C2 | C4 | C5 | 60.3° | 60.0° |
| C2 | C4 | C3 | 110.0° | 117.5° |
| C4 | C2 | H9 | 120.0° | 117.5° |
| C4 | C2 | H10 | 120.0° | 117.5° |
| C2 | C4 | H43 | 121.0° | 117.5° |
| C5 | C4 | C3 | 108.8° | 117.5° |
| C5 | C4 | H43 | 121.0° | 117.5° |
| C4 | C5 | H44 | 120.0° | 117.5° |
| C4 | C5 | H45 | 120.0° | 117.5° |
| C31 | C30 | C32 | 109.2° | 109.5° |
| C31 | C30 | C11 | 109.5° | 109.4° |
| C31 | C30 | C26 | 106.6° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.4° |
| C30 | C31 | H37 | 109.5° | 109.4° |
| C30 | C31 | H38 | 109.4° | 109.5° |
| C32 | C30 | C11 | 110.1° | 109.5° |
| C32 | C30 | C26 | 109.8° | 109.5° |
| C30 | C32 | H39 | 109.5° | 109.5° |
| C30 | C32 | H40 | 109.5° | 109.5° |
| C30 | C32 | H41 | 109.5° | 109.5° |
| C4 | C3 | N2 | 107.9° | 109.5° |
| C4 | C3 | H34 | 109.9° | 109.5° |
| C4 | C3 | H35 | 109.8° | 109.4° |
| C3 | C4 | H43 | 120.9° | 115.6° |
| C11 | C30 | C26 | 111.6° | 109.5° |
| C30 | C11 | N10 | 112.6° | 109.5° |
| C30 | C11 | C12 | 115.4° | 109.5° |
| C30 | C11 | H1 | 106.1° | 109.5° |
| C30 | C26 | H22 | 109.5° | 109.5° |
| C30 | C26 | H23 | 109.5° | 109.4° |
| C30 | C26 | H24 | 109.5° | 109.5° |
| C16 | C13 | N13 | 106.1° | 104.6° |
| C13 | C16 | C34 | 106.8° | 104.9° |
| C13 | C16 | C18 | 117.0° | 118.1° |
| C16 | C13 | H2 | 110.3° | 110.4° |
| C16 | C13 | H3 | 110.3° | 110.4° |
| C13 | C16 | H5 | 119.5° | 117.6° |
| C13 | N13 | C12 | 127.5° | 127.8° |
| C13 | N13 | C14 | 113.0° | 104.3° |
| N13 | C13 | H2 | 110.3° | 110.4° |
| N13 | C13 | H3 | 110.3° | 110.4° |
| O29 | C9 | N10 | 119.5° | 120.0° |
| O29 | C9 | N8 | 124.0° | 120.0° |
| C34 | C16 | C18 | 60.0° | 59.7° |
| C16 | C34 | C18 | 60.5° | 59.7° |
| C16 | C34 | C14 | 107.8° | 105.0° |
| C34 | C16 | H5 | 119.4° | 121.8° |
| C16 | C34 | H42 | 120.0° | 121.9° |
| C16 | C18 | C34 | 59.5° | 60.5° |
| C16 | C18 | C25 | 111.4° | 117.4° |
| C16 | C18 | C23 | 114.8° | 117.4° |
| C18 | C16 | H5 | 119.1° | 120.3° |
| O38 | C15 | C14 | 121.6° | 120.0° |
| O38 | C15 | N16 | 121.7° | 120.0° |
| C3 | N2 | C1 | 125.0° | 120.0° |
| N2 | C3 | H34 | 109.9° | 109.5° |
| N2 | C3 | H35 | 109.9° | 109.5° |
| C3 | N2 | H49 | 117.5° | 120.0° |
| N10 | C11 | C12 | 108.6° | 109.4° |
| C11 | N10 | C9 | 119.5° | 120.0° |
| N10 | C11 | H1 | 107.2° | 109.4° |
| C11 | N10 | H47 | 120.3° | 120.0° |
| C11 | C12 | N13 | 114.6° | 120.0° |
| C11 | C12 | O33 | 122.7° | 120.0° |
| C12 | C11 | H1 | 106.5° | 109.5° |
| C12 | N13 | C14 | 119.4° | 127.9° |
| N13 | C12 | O33 | 122.6° | 120.0° |
| N13 | C14 | C34 | 105.9° | 104.6° |
| N13 | C14 | C15 | 107.3° | 110.5° |
| N13 | C14 | H4 | 111.7° | 110.4° |
| N10 | C9 | N8 | 116.6° | 120.0° |
| C9 | N10 | H47 | 120.3° | 120.0° |
| C9 | N8 | C7 | 128.1° | 120.0° |
| C9 | N8 | H51 | 116.0° | 120.0° |
| C18 | C34 | C14 | 113.9° | 118.1° |
| C34 | C18 | C25 | 119.1° | 117.4° |
| C34 | C18 | C23 | 123.2° | 117.5° |
| C18 | C34 | H42 | 119.9° | 119.6° |
| C34 | C14 | C15 | 110.2° | 110.4° |
| C34 | C14 | H4 | 110.6° | 110.4° |
| C14 | C34 | H42 | 120.1° | 118.1° |
| C25 | C18 | C23 | 114.8° | 115.5° |
| C18 | C25 | H19 | 109.5° | 109.5° |
| C18 | C25 | H20 | 109.5° | 109.5° |
| C18 | C25 | H21 | 109.5° | 109.4° |
| C28 | C7 | C27 | 110.5° | 109.5° |
| C28 | C7 | N8 | 110.5° | 109.5° |
| C28 | C7 | C29 | 108.8° | 109.4° |
| C7 | C28 | H28 | 109.5° | 109.5° |
| C7 | C28 | H29 | 109.4° | 109.5° |
| C7 | C28 | H30 | 109.5° | 109.4° |
| N2 | C1 | C8 | 112.6° | 120.0° |
| N2 | C1 | O5 | 128.8° | 120.0° |
| C1 | N2 | H49 | 117.5° | 120.0° |
| C18 | C23 | H16 | 109.5° | 109.5° |
| C18 | C23 | H17 | 109.5° | 109.4° |
| C18 | C23 | H18 | 109.5° | 109.4° |
| C14 | C15 | N16 | 116.7° | 120.0° |
| C15 | C14 | H4 | 111.0° | 110.3° |
| C15 | N16 | C17 | 117.1° | 120.0° |
| C15 | N16 | H48 | 121.5° | 120.0° |
| C22 | C21 | C20 | 105.1° | 101.8° |
| C21 | C22 | N23 | 105.4° | 105.5° |
| C22 | C21 | H12 | 110.6° | 111.0° |
| C22 | C21 | H13 | 110.6° | 111.0° |
| C21 | C22 | H14 | 110.5° | 110.2° |
| C21 | C22 | H15 | 110.5° | 110.2° |
| C21 | C20 | C19 | 111.7° | 110.5° |
| C21 | C20 | C24 | 103.3° | 104.3° |
| C21 | C20 | H11 | 109.5° | 110.6° |
| C20 | C21 | H12 | 110.6° | 111.0° |
| C20 | C21 | H13 | 110.5° | 111.0° |
| C27 | C7 | N8 | 110.9° | 109.5° |
| C27 | C7 | C29 | 106.8° | 109.5° |
| C7 | C27 | H25 | 109.5° | 109.4° |
| C7 | C27 | H26 | 109.5° | 109.4° |
| C7 | C27 | H27 | 109.4° | 109.5° |
| C22 | N23 | C24 | 112.4° | 111.3° |
| N23 | C22 | H14 | 110.5° | 110.3° |
| N23 | C22 | H15 | 110.5° | 110.3° |
| C22 | N23 | H50 | 123.8° | 124.3° |
| O9 | C8 | C1 | 107.0° | 109.5° |
| O9 | C8 | C17 | 113.8° | 109.5° |
| O9 | C8 | H46 | 107.9° | 109.5° |
| C8 | O9 | H52 | 109.5° | 114.0° |
| N8 | C7 | C29 | 109.3° | 109.4° |
| C7 | N8 | H51 | 115.9° | 120.1° |
| C7 | C29 | H31 | 109.5° | 109.4° |
| C7 | C29 | H32 | 109.4° | 109.5° |
| C7 | C29 | H33 | 109.5° | 109.4° |
| C8 | C1 | O5 | 118.6° | 120.0° |
| C1 | C8 | C17 | 113.7° | 109.5° |
| C1 | C8 | H46 | 107.4° | 109.5° |
| N16 | C17 | C8 | 104.0° | 109.4° |
| N16 | C17 | C19 | 109.2° | 109.5° |
| N16 | C17 | H6 | 109.8° | 109.5° |
| C17 | N16 | H48 | 121.4° | 120.0° |
| C8 | C17 | C19 | 116.1° | 109.5° |
| C8 | C17 | H6 | 108.8° | 109.5° |
| C17 | C8 | H46 | 106.9° | 109.4° |
| C17 | C19 | C20 | 110.7° | 109.5° |
| C19 | C17 | H6 | 108.8° | 109.5° |
| C17 | C19 | H7 | 109.2° | 109.5° |
| C17 | C19 | H8 | 109.1° | 109.5° |
| C19 | C20 | C24 | 112.8° | 110.5° |
| C20 | C19 | H7 | 109.1° | 109.4° |
| C20 | C19 | H8 | 109.2° | 109.5° |
| C19 | C20 | H11 | 109.5° | 110.4° |
| C20 | C24 | N23 | 111.3° | 110.1° |
| C20 | C24 | O26 | 123.0° | 125.0° |
| C24 | C20 | H11 | 109.8° | 110.5° |
| N23 | C24 | O26 | 125.7° | 124.9° |
| C24 | N23 | H50 | 123.8° | 124.4° |
| H2 | C13 | H3 | 109.4° | 110.4° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 115.6° |
| H12 | C21 | H13 | 109.5° | 110.9° |
| H14 | C22 | H15 | 109.5° | 110.3° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.4° | 109.5° |
| H19 | C25 | H20 | 109.4° | 109.4° |
| H19 | C25 | H21 | 109.4° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.4° |
| H22 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.4° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H27 | 109.5° | 109.6° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H30 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H31 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H34 | C3 | H35 | 109.4° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H36 | C31 | H38 | 109.4° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H39 | C32 | H41 | 109.4° | 109.4° |
| H40 | C32 | H41 | 109.4° | 109.5° |
| H44 | C5 | H45 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C2 | C4 | H9 | 109.4° | 107.5° |
| C5 | C2 | C4 | H10 | 109.4° | 107.5° |
| C2 | C5 | C4 | H44 | 109.4° | 107.5° |
| C2 | C5 | C4 | H45 | 109.4° | 107.5° |
| C5 | C2 | C4 | C3 | 100.8° | 107.5° |
| C5 | C2 | H9 | H10 | 144.8° | 145.7° |
| C5 | C2 | C4 | H43 | 110.4° | 107.5° |
| C2 | C5 | H44 | H45 | 144.8° | 145.7° |
| C2 | C4 | C3 | H43 | 148.9° | 145.7° |
| C2 | C4 | C3 | N2 | 140.1° | 175.0° |
| C4 | C2 | H9 | H10 | 144.8° | 145.7° |
| C2 | C4 | C3 | H34 | 100.2° | 55.0° |
| C2 | C4 | C3 | H35 | 20.3° | 65.0° |
| C5 | C4 | C3 | H43 | 146.8° | 145.7° |
| C5 | C4 | C3 | N2 | 75.7° | 116.4° |
| C5 | C4 | C3 | H34 | 164.5° | 123.6° |
| C5 | C4 | C3 | H35 | 44.0° | 3.6° |
| C4 | C5 | H44 | H45 | 144.8° | 145.7° |
| C31 | C30 | C32 | C11 | 120.2° | 120.0° |
| C31 | C30 | C32 | C26 | 116.6° | 120.0° |
| C31 | C30 | C11 | C26 | 117.8° | 120.0° |
| C31 | C30 | C11 | N10 | 59.5° | 178.3° |
| C31 | C30 | C11 | C12 | 175.1° | 61.7° |
| C31 | C30 | C11 | H1 | 57.5° | 58.4° |
| C31 | C30 | C26 | H22 | 180.0° | 59.9° |
| C31 | C30 | C26 | H23 | 60.0° | 60.0° |
| C31 | C30 | C26 | H24 | 60.0° | 180.0° |
| C30 | C31 | H36 | H37 | 120.0° | 119.9° |
| C30 | C31 | H36 | H38 | 120.0° | 120.1° |
| C30 | C31 | H37 | H38 | 120.0° | 120.0° |
| C31 | C30 | C32 | H39 | 180.0° | 180.0° |
| C31 | C30 | C32 | H40 | 60.0° | 60.0° |
| C31 | C30 | C32 | H41 | 60.0° | 60.0° |
| C32 | C30 | C11 | C26 | 122.1° | 120.0° |
| C32 | C30 | C11 | N10 | 179.5° | 58.3° |
| C32 | C30 | C11 | C12 | 55.0° | 178.3° |
| C32 | C30 | C11 | H1 | 62.6° | 61.7° |
| C32 | C30 | C26 | H22 | 61.8° | 180.0° |
| C32 | C30 | C26 | H23 | 58.2° | 60.0° |
| C32 | C30 | C26 | H24 | 178.2° | 60.0° |
| C32 | C30 | C31 | H36 | 180.0° | 57.7° |
| C32 | C30 | C31 | H37 | 60.0° | 62.3° |
| C32 | C30 | C31 | H38 | 60.0° | 177.8° |
| C30 | C32 | H39 | H40 | 120.0° | 120.1° |
| C30 | C32 | H39 | H41 | 120.0° | 120.0° |
| C30 | C32 | H40 | H41 | 120.0° | 120.0° |
| C4 | C3 | N2 | H34 | 119.8° | 120.0° |
| C4 | C3 | N2 | H35 | 119.7° | 120.0° |
| C4 | C3 | N2 | C1 | 166.9° | 180.0° |
| C3 | C4 | C2 | H9 | 149.8° | 0.0° |
| C3 | C4 | C2 | H10 | 8.7° | 145.0° |
| C4 | C3 | H34 | H35 | 120.7° | 120.0° |
| C3 | C4 | C5 | H44 | 6.6° | 0.0° |
| C3 | C4 | C5 | H45 | 147.8° | 145.0° |
| C4 | C3 | N2 | H49 | 13.1° | 0.1° |
| C30 | C11 | N10 | C12 | 129.0° | 120.0° |
| C30 | C11 | N10 | H1 | 116.3° | 120.0° |
| C30 | C11 | C12 | H1 | 117.4° | 120.1° |
| C30 | C11 | C12 | N13 | 111.4° | 93.2° |
| C30 | C11 | N10 | C9 | 123.3° | 85.0° |
| C30 | C11 | C12 | O33 | 71.7° | 86.7° |
| C11 | C30 | C26 | H22 | 60.5° | 60.0° |
| C11 | C30 | C26 | H23 | 179.5° | 180.0° |
| C11 | C30 | C26 | H24 | 59.5° | 60.1° |
| C11 | C30 | C31 | H36 | 59.4° | 62.4° |
| C11 | C30 | C31 | H37 | 179.4° | 177.7° |
| C11 | C30 | C31 | H38 | 60.6° | 57.7° |
| C11 | C30 | C32 | H39 | 59.8° | 60.0° |
| C11 | C30 | C32 | H40 | 60.3° | 180.0° |
| C11 | C30 | C32 | H41 | 179.8° | 60.0° |
| C30 | C11 | N10 | H47 | 56.8° | 95.0° |
| C26 | C30 | C11 | N10 | 58.3° | 61.7° |
| C26 | C30 | C11 | C12 | 67.1° | 58.3° |
| C26 | C30 | C11 | H1 | 175.3° | 178.3° |
| C30 | C26 | H22 | H23 | 120.0° | 119.9° |
| C30 | C26 | H22 | H24 | 120.0° | 120.1° |
| C30 | C26 | H23 | H24 | 120.0° | 120.0° |
| C26 | C30 | C31 | H36 | 61.5° | 177.7° |
| C26 | C30 | C31 | H37 | 58.6° | 57.8° |
| C26 | C30 | C31 | H38 | 178.6° | 62.2° |
| C26 | C30 | C32 | H39 | 63.4° | 60.0° |
| C26 | C30 | C32 | H40 | 176.6° | 60.0° |
| C26 | C30 | C32 | H41 | 56.6° | 180.0° |
| C16 | C13 | N13 | H2 | 119.5° | 118.7° |
| C16 | C13 | N13 | H3 | 119.5° | 118.8° |
| C13 | C16 | C34 | C18 | 111.9° | 114.1° |
| C13 | C16 | C34 | H5 | 139.5° | 136.9° |
| C13 | C16 | C18 | H5 | 156.3° | 157.0° |
| C16 | C13 | N13 | C12 | 171.9° | 140.4° |
| C16 | C13 | N13 | C14 | 6.3° | 39.6° |
| C13 | C16 | C34 | C14 | 4.0° | 0.0° |
| C13 | C16 | C18 | C25 | 153.4° | 160.9° |
| C13 | C16 | C18 | C23 | 20.7° | 16.1° |
| C16 | C13 | H2 | H3 | 121.5° | 122.4° |
| C13 | C16 | C34 | H42 | 138.5° | 137.8° |
| N13 | C13 | C16 | C34 | 6.1° | 23.9° |
| N13 | C13 | C16 | C18 | 58.2° | 39.4° |
| C13 | N13 | C12 | C11 | 6.6° | 4.9° |
| C13 | N13 | C12 | C14 | 178.0° | 180.0° |
| C13 | N13 | C14 | C34 | 3.7° | 39.6° |
| C13 | N13 | C12 | O33 | 170.2° | 175.1° |
| C13 | N13 | C14 | C15 | 114.0° | 79.3° |
| N13 | C13 | H2 | H3 | 121.6° | 122.4° |
| C13 | N13 | C14 | H4 | 124.2° | 158.4° |
| N13 | C13 | C16 | H5 | 145.6° | 162.9° |
| O29 | C9 | N10 | C11 | 22.6° | 0.0° |
| O29 | C9 | N10 | N8 | 179.6° | 180.0° |
| O29 | C9 | N8 | C7 | 7.6° | 0.0° |
| O29 | C9 | N10 | H47 | 157.4° | 180.0° |
| O29 | C9 | N8 | H51 | 172.4° | 180.0° |
| C34 | C16 | C18 | H5 | 109.1° | 111.5° |
| C16 | C34 | C14 | N13 | 0.4° | 23.9° |
| C16 | C34 | C18 | C14 | 97.7° | 91.6° |
| C16 | C34 | C18 | H42 | 109.8° | 111.8° |
| C16 | C34 | C14 | H42 | 142.5° | 139.7° |
| C16 | C34 | C18 | C25 | 99.1° | 107.7° |
| C34 | C16 | C18 | C23 | 115.3° | 107.7° |
| C16 | C34 | C14 | C15 | 116.2° | 95.1° |
| C34 | C16 | C13 | H2 | 113.4° | 94.9° |
| C34 | C16 | C13 | H3 | 125.6° | 142.7° |
| C16 | C34 | C14 | H4 | 120.8° | 142.6° |
| C16 | C18 | C25 | C23 | 132.7° | 145.4° |
| C18 | C16 | C13 | H2 | 177.7° | 158.2° |
| C18 | C16 | C13 | H3 | 61.3° | 79.4° |
| C16 | C18 | C23 | H16 | 180.0° | 111.4° |
| C16 | C18 | C23 | H17 | 60.0° | 128.6° |
| C16 | C18 | C23 | H18 | 60.0° | 8.6° |
| C16 | C18 | C25 | H19 | 180.0° | 8.6° |
| C16 | C18 | C25 | H20 | 60.0° | 128.6° |
| C16 | C18 | C25 | H21 | 60.0° | 111.4° |
| O38 | C15 | C14 | N13 | 49.9° | 17.0° |
| O38 | C15 | C14 | C34 | 65.0° | 98.3° |
| O38 | C15 | C14 | N16 | 178.4° | 180.0° |
| O38 | C15 | N16 | C17 | 5.8° | 5.0° |
| O38 | C15 | C14 | H4 | 172.2° | 139.3° |
| O38 | C15 | N16 | H48 | 174.2° | 175.0° |
| C3 | N2 | C1 | H49 | 180.0° | 179.9° |
| C3 | N2 | C1 | C8 | 167.6° | 180.0° |
| C3 | N2 | C1 | O5 | 14.5° | 0.2° |
| N2 | C3 | H34 | H35 | 120.7° | 120.1° |
| N2 | C3 | C4 | H43 | 71.1° | 29.3° |
| N10 | C11 | C12 | H1 | 115.1° | 119.9° |
| N10 | C11 | C12 | N13 | 121.1° | 146.8° |
| C11 | N10 | C9 | H47 | 180.0° | 180.0° |
| C11 | N10 | C9 | N8 | 157.8° | 180.0° |
| N10 | C11 | C12 | O33 | 55.7° | 33.2° |
| C11 | C12 | N13 | O33 | 176.8° | 179.9° |
| C11 | C12 | N13 | C14 | 175.4° | 175.1° |
| C12 | C11 | N10 | C9 | 107.7° | 155.0° |
| C12 | C11 | N10 | H47 | 72.3° | 25.0° |
| C12 | N13 | C14 | C34 | 174.6° | 140.4° |
| C12 | N13 | C14 | C15 | 67.7° | 100.7° |
| N13 | C12 | C11 | H1 | 6.0° | 26.9° |
| C12 | N13 | C13 | H2 | 68.6° | 100.8° |
| C12 | N13 | C13 | H3 | 52.4° | 21.6° |
| C12 | N13 | C14 | H4 | 54.1° | 21.6° |
| N13 | C14 | C34 | C18 | 65.3° | 39.5° |
| N13 | C14 | C34 | C15 | 115.8° | 118.9° |
| N13 | C14 | C34 | H4 | 121.2° | 118.7° |
| C14 | N13 | C12 | O33 | 7.8° | 4.9° |
| N13 | C14 | C15 | H4 | 122.3° | 122.3° |
| N13 | C14 | C15 | N16 | 128.5° | 163.1° |
| C14 | N13 | C13 | H2 | 113.2° | 79.2° |
| C14 | N13 | C13 | H3 | 125.7° | 158.4° |
| N13 | C14 | C34 | H42 | 142.1° | 163.6° |
| N10 | C9 | N8 | C7 | 172.0° | 180.0° |
| C9 | N10 | C11 | H1 | 7.0° | 35.0° |
| N10 | C9 | N8 | H51 | 8.0° | 0.0° |
| C9 | N8 | C7 | C28 | 68.6° | 60.0° |
| C9 | N8 | C7 | C27 | 54.3° | 60.0° |
| C9 | N8 | C7 | H51 | 180.0° | 180.0° |
| C9 | N8 | C7 | C29 | 171.8° | 180.0° |
| N8 | C9 | N10 | H47 | 22.2° | 0.0° |
| C18 | C34 | C14 | H42 | 152.5° | 156.9° |
| C34 | C18 | C25 | C23 | 161.2° | 145.4° |
| C18 | C34 | C14 | C15 | 178.9° | 158.4° |
| C18 | C34 | C14 | H4 | 55.8° | 79.3° |
| C34 | C18 | C23 | H16 | 111.4° | 179.4° |
| C34 | C18 | C23 | H17 | 8.6° | 59.4° |
| C34 | C18 | C23 | H18 | 128.6° | 60.6° |
| C34 | C18 | C25 | H19 | 113.9° | 60.6° |
| C34 | C18 | C25 | H20 | 126.1° | 59.4° |
| C34 | C18 | C25 | H21 | 6.1° | 179.4° |
| C14 | C34 | C18 | C25 | 163.3° | 160.8° |
| C14 | C34 | C18 | C23 | 3.8° | 16.1° |
| C34 | C14 | C15 | H4 | 122.9° | 122.4° |
| C34 | C14 | C15 | N16 | 116.6° | 81.6° |
| C14 | C34 | C16 | H5 | 143.5° | 136.9° |
| C25 | C18 | C16 | H5 | 2.9° | 3.9° |
| C25 | C18 | C23 | H16 | 48.9° | 34.0° |
| C25 | C18 | C23 | H17 | 168.9° | 86.0° |
| C25 | C18 | C23 | H18 | 71.1° | 154.0° |
| C18 | C25 | H19 | H20 | 120.0° | 120.0° |
| C18 | C25 | H19 | H21 | 120.0° | 120.0° |
| C18 | C25 | H20 | H21 | 120.0° | 120.0° |
| C25 | C18 | C34 | H42 | 10.7° | 4.2° |
| C28 | C7 | C27 | N8 | 122.9° | 120.1° |
| C28 | C7 | C27 | C29 | 118.2° | 119.9° |
| C28 | C7 | N8 | C29 | 119.6° | 120.0° |
| C28 | C7 | C27 | H25 | 180.0° | 60.1° |
| C28 | C7 | C27 | H26 | 60.0° | 180.0° |
| C28 | C7 | C27 | H27 | 60.0° | 60.0° |
| C7 | C28 | H28 | H29 | 120.0° | 120.0° |
| C7 | C28 | H28 | H30 | 120.0° | 120.0° |
| C7 | C28 | H29 | H30 | 120.0° | 119.9° |
| C28 | C7 | C29 | H31 | 180.0° | 179.9° |
| C28 | C7 | C29 | H32 | 60.0° | 60.0° |
| C28 | C7 | C29 | H33 | 60.0° | 60.0° |
| C28 | C7 | N8 | H51 | 111.4° | 120.0° |
| N2 | C1 | C8 | O9 | 14.8° | 174.8° |
| N2 | C1 | C8 | O5 | 178.1° | 179.8° |
| N2 | C1 | C8 | C17 | 111.6° | 65.2° |
| C1 | N2 | C3 | H34 | 73.3° | 60.0° |
| C1 | N2 | C3 | H35 | 47.2° | 60.0° |
| N2 | C1 | C8 | H46 | 130.4° | 54.7° |
| C23 | C18 | C16 | H5 | 135.6° | 140.9° |
| C18 | C23 | H16 | H17 | 120.0° | 120.0° |
| C18 | C23 | H16 | H18 | 120.0° | 120.0° |
| C18 | C23 | H17 | H18 | 120.0° | 120.0° |
| C23 | C18 | C25 | H19 | 47.3° | 154.0° |
| C23 | C18 | C25 | H20 | 72.7° | 86.0° |
| C23 | C18 | C25 | H21 | 167.3° | 34.0° |
| C23 | C18 | C34 | H42 | 148.8° | 140.6° |
| O33 | C12 | C11 | H1 | 170.8° | 153.2° |
| C14 | C15 | N16 | C17 | 175.9° | 174.9° |
| C15 | C14 | C34 | H42 | 26.3° | 44.7° |
| C14 | C15 | N16 | H48 | 4.2° | 5.0° |
| C15 | N16 | C17 | H48 | 180.0° | 180.0° |
| C15 | N16 | C17 | C8 | 103.0° | 151.7° |
| C15 | N16 | C17 | C19 | 132.5° | 88.4° |
| N16 | C15 | C14 | H4 | 6.2° | 40.8° |
| C15 | N16 | C17 | H6 | 13.2° | 31.7° |
| C22 | C21 | C20 | H12 | 119.3° | 118.1° |
| C22 | C21 | C20 | H13 | 119.3° | 118.1° |
| C21 | C22 | N23 | H14 | 119.3° | 119.0° |
| C21 | C22 | N23 | H15 | 119.3° | 119.0° |
| C22 | C21 | C20 | C19 | 136.9° | 93.9° |
| C22 | C21 | C20 | C24 | 15.4° | 24.8° |
| C21 | C22 | N23 | C24 | 6.8° | 17.0° |
| C22 | C21 | C20 | H11 | 101.6° | 143.5° |
| C22 | C21 | H12 | H13 | 122.0° | 123.8° |
| C21 | C22 | H14 | H15 | 121.9° | 122.0° |
| C21 | C22 | N23 | H50 | 173.2° | 163.0° |
| C20 | C21 | C22 | N23 | 13.9° | 25.4° |
| C21 | C20 | C19 | C17 | 75.1° | 179.0° |
| C21 | C20 | C19 | C24 | 115.8° | 114.9° |
| C21 | C20 | C19 | H11 | 121.5° | 122.6° |
| C21 | C20 | C24 | H11 | 116.8° | 118.8° |
| C21 | C20 | C24 | N23 | 12.2° | 16.3° |
| C21 | C20 | C24 | O26 | 167.5° | 163.8° |
| C21 | C20 | C19 | H7 | 164.7° | 61.0° |
| C21 | C20 | C19 | H8 | 45.1° | 58.9° |
| C20 | C21 | H12 | H13 | 122.0° | 123.8° |
| C20 | C21 | C22 | H14 | 133.2° | 93.6° |
| C20 | C21 | C22 | H15 | 105.4° | 144.4° |
| C27 | C7 | N8 | C29 | 117.5° | 120.0° |
| C7 | C27 | H25 | H26 | 120.0° | 119.9° |
| C7 | C27 | H25 | H27 | 120.0° | 120.0° |
| C7 | C27 | H26 | H27 | 120.0° | 120.0° |
| C27 | C7 | C28 | H28 | 180.0° | 59.9° |
| C27 | C7 | C28 | H29 | 60.0° | 180.0° |
| C27 | C7 | C28 | H30 | 60.0° | 60.1° |
| C27 | C7 | C29 | H31 | 60.7° | 60.0° |
| C27 | C7 | C29 | H32 | 179.3° | 180.0° |
| C27 | C7 | C29 | H33 | 59.3° | 59.9° |
| C27 | C7 | N8 | H51 | 125.7° | 120.0° |
| C22 | N23 | C24 | C20 | 3.5° | 0.4° |
| C22 | N23 | C24 | H50 | 180.0° | 179.9° |
| C22 | N23 | C24 | O26 | 176.2° | 179.6° |
| N23 | C22 | C21 | H12 | 133.2° | 143.6° |
| N23 | C22 | C21 | H13 | 105.4° | 92.7° |
| N23 | C22 | H14 | H15 | 121.9° | 122.0° |
| O9 | C8 | C1 | C17 | 126.4° | 120.0° |
| O9 | C8 | C1 | H46 | 115.6° | 120.0° |
| O9 | C8 | C1 | O5 | 163.3° | 5.0° |
| O9 | C8 | C17 | N16 | 47.4° | 60.0° |
| O9 | C8 | C17 | H46 | 119.0° | 120.0° |
| O9 | C8 | C17 | C19 | 167.4° | 60.0° |
| O9 | C8 | C17 | H6 | 69.6° | 180.0° |
| N8 | C7 | C27 | H25 | 57.1° | 60.0° |
| N8 | C7 | C27 | H26 | 177.1° | 60.0° |
| N8 | C7 | C27 | H27 | 62.9° | 180.0° |
| N8 | C7 | C28 | H28 | 56.9° | 180.0° |
| N8 | C7 | C28 | H29 | 63.1° | 59.9° |
| N8 | C7 | C28 | H30 | 176.9° | 60.0° |
| N8 | C7 | C29 | H31 | 59.3° | 60.0° |
| N8 | C7 | C29 | H32 | 60.7° | 60.0° |
| N8 | C7 | C29 | H33 | 179.3° | 180.0° |
| C29 | C7 | C27 | H25 | 61.9° | 180.0° |
| C29 | C7 | C27 | H26 | 58.2° | 60.0° |
| C29 | C7 | C27 | H27 | 178.2° | 60.0° |
| C29 | C7 | C28 | H28 | 63.1° | 60.0° |
| C29 | C7 | C28 | H29 | 176.9° | 60.0° |
| C29 | C7 | C28 | H30 | 57.0° | 180.0° |
| C7 | C29 | H31 | H32 | 120.0° | 120.0° |
| C7 | C29 | H31 | H33 | 120.0° | 119.9° |
| C7 | C29 | H32 | H33 | 120.0° | 120.0° |
| C29 | C7 | N8 | H51 | 8.2° | 0.0° |
| C1 | C8 | C17 | N16 | 170.1° | 60.0° |
| C1 | C8 | C17 | H46 | 118.3° | 120.0° |
| C1 | C8 | C17 | C19 | 69.9° | 180.0° |
| C1 | C8 | C17 | H6 | 53.1° | 60.0° |
| C8 | C1 | N2 | H49 | 12.4° | 0.1° |
| C1 | C8 | O9 | H52 | 180.0° | 60.0° |
| O5 | C1 | C8 | C17 | 70.2° | 115.0° |
| O5 | C1 | C8 | H46 | 47.7° | 125.0° |
| O5 | C1 | N2 | H49 | 165.4° | 179.7° |
| N16 | C17 | C8 | C19 | 120.0° | 120.0° |
| N16 | C17 | C8 | H6 | 117.0° | 120.0° |
| N16 | C17 | C19 | H6 | 119.9° | 120.0° |
| N16 | C17 | C19 | C20 | 60.2° | 173.8° |
| N16 | C17 | C19 | H7 | 59.9° | 53.9° |
| N16 | C17 | C19 | H8 | 179.6° | 66.1° |
| N16 | C17 | C8 | H46 | 71.6° | 180.0° |
| C8 | C17 | C19 | H6 | 123.0° | 120.0° |
| C8 | C17 | C19 | C20 | 177.4° | 66.2° |
| C8 | C17 | C19 | H7 | 57.2° | 173.9° |
| C8 | C17 | C19 | H8 | 62.4° | 53.8° |
| C8 | C17 | N16 | H48 | 77.0° | 28.3° |
| C17 | C8 | O9 | H52 | 53.7° | 60.0° |
| C17 | C19 | C20 | H7 | 120.2° | 120.0° |
| C17 | C19 | C20 | H8 | 120.2° | 120.1° |
| C17 | C19 | C20 | C24 | 169.1° | 66.2° |
| C17 | C19 | H7 | H8 | 119.4° | 120.1° |
| C17 | C19 | C20 | H11 | 46.4° | 56.4° |
| C19 | C17 | C8 | H46 | 48.4° | 60.0° |
| C19 | C17 | N16 | H48 | 47.5° | 91.7° |
| C19 | C20 | C24 | H11 | 122.5° | 122.5° |
| C19 | C20 | C24 | N23 | 132.9° | 102.4° |
| C19 | C20 | C24 | O26 | 46.8° | 77.5° |
| C20 | C19 | C17 | H6 | 59.6° | 53.8° |
| C20 | C19 | H7 | H8 | 119.5° | 120.0° |
| C19 | C20 | C21 | H12 | 103.8° | 24.2° |
| C19 | C20 | C21 | H13 | 17.6° | 148.0° |
| C20 | C24 | N23 | O26 | 179.7° | 180.0° |
| C24 | C20 | C19 | H7 | 48.9° | 53.8° |
| C24 | C20 | C19 | H8 | 70.8° | 173.8° |
| C24 | C20 | C21 | H12 | 134.7° | 142.9° |
| C24 | C20 | C21 | H13 | 103.9° | 93.3° |
| C20 | C24 | N23 | H50 | 176.5° | 179.6° |
| N23 | C24 | C20 | H11 | 104.6° | 135.1° |
| C24 | N23 | C22 | H14 | 126.2° | 102.0° |
| C24 | N23 | C22 | H15 | 112.5° | 136.0° |
| O26 | C24 | C20 | H11 | 75.7° | 45.0° |
| O26 | C24 | N23 | H50 | 3.8° | 0.5° |
| H1 | C11 | N10 | H47 | 173.1° | 145.0° |
| H2 | C13 | C16 | H5 | 26.1° | 44.1° |
| H3 | C13 | C16 | H5 | 94.9° | 78.2° |
| H4 | C14 | C34 | H42 | 96.7° | 77.7° |
| H5 | C16 | C34 | H42 | 1.0° | 0.9° |
| H6 | C17 | C19 | H7 | 179.8° | 66.1° |
| H6 | C17 | C19 | H8 | 60.6° | 173.8° |
| H6 | C17 | C8 | H46 | 171.4° | 60.0° |
| H6 | C17 | N16 | H48 | 166.8° | 148.3° |
| H7 | C19 | C20 | H11 | 73.8° | 176.4° |
| H8 | C19 | C20 | H11 | 166.6° | 63.7° |
| H9 | C2 | C4 | H43 | 1.0° | 145.0° |
| H9 | C2 | C5 | H44 | 141.1° | 0.0° |
| H9 | C2 | C5 | H45 | 0.0° | 145.1° |
| H10 | C2 | C4 | H43 | 140.2° | 0.0° |
| H10 | C2 | C5 | H44 | 0.0° | 145.1° |
| H10 | C2 | C5 | H45 | 141.1° | 0.0° |
| H11 | C20 | C21 | H12 | 17.7° | 98.3° |
| H11 | C20 | C21 | H13 | 139.1° | 25.4° |
| H12 | C21 | C22 | H14 | 107.5° | 24.6° |
| H12 | C21 | C22 | H15 | 13.9° | 97.4° |
| H13 | C21 | C22 | H14 | 13.9° | 148.3° |
| H13 | C21 | C22 | H15 | 135.3° | 26.3° |
| H14 | C22 | N23 | H50 | 53.9° | 78.1° |
| H15 | C22 | N23 | H50 | 67.5° | 44.0° |
| H16 | C23 | H17 | H18 | 119.9° | 120.0° |
| H19 | C25 | H20 | H21 | 120.0° | 120.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.1° |
| H25 | C27 | H26 | H27 | 120.0° | 120.1° |
| H28 | C28 | H29 | H30 | 120.0° | 120.0° |
| H31 | C29 | H32 | H33 | 120.0° | 120.0° |
| H34 | C3 | C4 | H43 | 48.7° | 90.7° |
| H34 | C3 | N2 | H49 | 106.7° | 120.0° |
| H35 | C3 | C4 | H43 | 169.2° | 149.3° |
| H35 | C3 | N2 | H49 | 132.8° | 119.9° |
| H36 | C31 | H37 | H38 | 120.0° | 120.1° |
| H39 | C32 | H40 | H41 | 119.9° | 119.9° |
| H43 | C4 | C5 | H44 | 140.2° | 145.0° |
| H43 | C4 | C5 | H45 | 1.0° | 0.0° |
| H46 | C8 | O9 | H52 | 64.7° | 180.0° |
