KPO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.42Å | Aromatic |
| C34 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.36Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C23 | C18 | sing | 1.42Å | 1.42Å | Aromatic |
| C31 | N7 | sing | 1.48Å | 1.45Å | |
| C21 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | N4 | sing | 1.47Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| O1 | C32 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| N6 | C26 | sing | 1.37Å | 1.34Å | |
| N6 | C14 | sing | 1.48Å | 1.46Å | |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C26 | O2 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| N7 | C32 | sing | 1.36Å | 1.33Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| N5 | C13 | sing | 1.36Å | 1.34Å | |
| N5 | C8 | sing | 1.47Å | 1.45Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| N1 | C2 | doub | 1.30Å | 1.38Å | |
| C33 | N8 | sing | 1.48Å | 1.45Å | |
| O4 | C7 | doub | 1.21Å | 1.24Å | |
| C | N8 | sing | 1.37Å | 1.33Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C7 | N3 | sing | 1.36Å | 1.33Å | |
| C2 | N2 | sing | 1.38Å | 1.31Å | |
| C2 | N | sing | 1.37Å | 1.40Å | |
| C1 | N | sing | 1.47Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| N3 | C6 | sing | 1.48Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 1.01Å | 1.00Å | |
| N4 | H18 | sing | 1.01Å | 1.00Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C20 | H32 | sing | 1.08Å | 1.08Å | |
| C21 | H33 | sing | 1.08Å | 1.08Å | |
| C22 | H34 | sing | 1.08Å | 1.08Å | |
| C24 | H35 | sing | 1.08Å | 1.08Å | |
| C25 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å | |
| C35 | H45 | sing | 1.08Å | 1.08Å | |
| C36 | H46 | sing | 1.08Å | 1.08Å | |
| N5 | H47 | sing | 0.97Å | 1.00Å | |
| N6 | H48 | sing | 0.97Å | 1.00Å | |
| N7 | H49 | sing | 0.97Å | 1.00Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 120.3° | 120.0° |
| C35 | C36 | C28 | 120.5° | 120.0° |
| C36 | C35 | H45 | 119.9° | 120.0° |
| C35 | C36 | H46 | 119.7° | 119.9° |
| C35 | C34 | C30 | 120.4° | 120.0° |
| C35 | C34 | H44 | 119.8° | 120.0° |
| C34 | C35 | H45 | 119.9° | 120.0° |
| C36 | C28 | C27 | 120.9° | 119.8° |
| C36 | C28 | C29 | 118.6° | 120.0° |
| C28 | C36 | H46 | 119.7° | 120.0° |
| C25 | C24 | C23 | 121.0° | 119.6° |
| C24 | C25 | C16 | 121.1° | 121.0° |
| C25 | C24 | H35 | 119.5° | 120.2° |
| C24 | C25 | H36 | 119.4° | 119.5° |
| C24 | C23 | C22 | 123.2° | 121.3° |
| C24 | C23 | C18 | 118.3° | 119.4° |
| C23 | C24 | H35 | 119.5° | 120.2° |
| C34 | C30 | C29 | 118.8° | 119.9° |
| C34 | C30 | C31 | 121.0° | 120.0° |
| C30 | C34 | H44 | 119.8° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.1° |
| C28 | C27 | C26 | 114.2° | 108.9° |
| C28 | C27 | H37 | 108.3° | 109.6° |
| C28 | C27 | H38 | 108.3° | 109.7° |
| C28 | C29 | C30 | 121.4° | 120.0° |
| C28 | C29 | H39 | 119.3° | 120.0° |
| C23 | C22 | C21 | 120.7° | 119.7° |
| C22 | C23 | C18 | 118.5° | 119.3° |
| C23 | C22 | H34 | 119.6° | 120.1° |
| C22 | C21 | C20 | 120.7° | 121.0° |
| C22 | C21 | H33 | 119.6° | 119.6° |
| C21 | C22 | H34 | 119.6° | 120.2° |
| C27 | C26 | N6 | 114.7° | 118.5° |
| C27 | C26 | O2 | 122.5° | 120.8° |
| C26 | C27 | H37 | 108.3° | 109.5° |
| C26 | C27 | H38 | 108.3° | 109.6° |
| C25 | C16 | C15 | 121.4° | 119.5° |
| C25 | C16 | C17 | 119.1° | 121.0° |
| C16 | C25 | H36 | 119.5° | 119.5° |
| C29 | C30 | C31 | 120.2° | 120.1° |
| C30 | C29 | H39 | 119.3° | 120.0° |
| C30 | C31 | N7 | 109.8° | 108.9° |
| C30 | C31 | H40 | 109.4° | 109.6° |
| C30 | C31 | H41 | 109.4° | 109.6° |
| C23 | C18 | C17 | 118.7° | 119.4° |
| C23 | C18 | C19 | 118.8° | 119.4° |
| C31 | N7 | C32 | 122.8° | 116.6° |
| N7 | C31 | H40 | 109.4° | 109.5° |
| N7 | C31 | H41 | 109.4° | 109.5° |
| C31 | N7 | H49 | 118.6° | 121.7° |
| C21 | C20 | C19 | 120.6° | 121.0° |
| C21 | C20 | H32 | 119.7° | 119.5° |
| C20 | C21 | H33 | 119.6° | 119.4° |
| N4 | C12 | C11 | 112.9° | 109.5° |
| C12 | N4 | H17 | 109.5° | 111.0° |
| C12 | N4 | H18 | 109.5° | 111.0° |
| N4 | C12 | H25 | 108.6° | 109.5° |
| N4 | C12 | H26 | 108.6° | 109.5° |
| C12 | C11 | C10 | 110.8° | 109.5° |
| C12 | C11 | H23 | 109.1° | 109.5° |
| C12 | C11 | H24 | 109.1° | 109.5° |
| C11 | C12 | H25 | 108.6° | 109.5° |
| C11 | C12 | H26 | 108.6° | 109.5° |
| O1 | C32 | N7 | 123.2° | 120.4° |
| O1 | C32 | C33 | 121.0° | 120.4° |
| C15 | C16 | C17 | 119.6° | 119.5° |
| C16 | C15 | C14 | 115.1° | 109.5° |
| C16 | C15 | H28 | 108.0° | 109.5° |
| C16 | C15 | H29 | 108.0° | 109.4° |
| C16 | C17 | C18 | 121.7° | 119.7° |
| C16 | C17 | H30 | 119.1° | 120.1° |
| C11 | C10 | C9 | 115.3° | 109.5° |
| C11 | C10 | H21 | 108.0° | 109.4° |
| C11 | C10 | H22 | 108.0° | 109.5° |
| C10 | C11 | H23 | 109.1° | 109.5° |
| C10 | C11 | H24 | 109.1° | 109.4° |
| C10 | C9 | C8 | 113.7° | 109.5° |
| C10 | C9 | H5 | 108.4° | 109.5° |
| C10 | C9 | H6 | 108.4° | 109.5° |
| C9 | C10 | H21 | 108.0° | 109.5° |
| C9 | C10 | H22 | 108.0° | 109.5° |
| C26 | N6 | C14 | 123.9° | 115.4° |
| N6 | C26 | O2 | 122.8° | 120.8° |
| C26 | N6 | H48 | 118.1° | 122.3° |
| N6 | C14 | C15 | 108.6° | 109.8° |
| N6 | C14 | C13 | 112.5° | 108.7° |
| N6 | C14 | H27 | 109.3° | 109.6° |
| C14 | N6 | H48 | 118.0° | 122.3° |
| C17 | C18 | C19 | 122.5° | 121.3° |
| C18 | C17 | H30 | 119.1° | 120.2° |
| C18 | C19 | C20 | 120.7° | 119.6° |
| C18 | C19 | H31 | 119.7° | 120.2° |
| C20 | C19 | H31 | 119.7° | 120.2° |
| C19 | C20 | H32 | 119.7° | 119.5° |
| C15 | C14 | C13 | 110.0° | 109.6° |
| C15 | C14 | H27 | 108.1° | 109.6° |
| C14 | C15 | H28 | 108.1° | 109.5° |
| C14 | C15 | H29 | 108.1° | 109.5° |
| N7 | C32 | C33 | 115.8° | 119.2° |
| C32 | N7 | H49 | 118.6° | 121.7° |
| C32 | C33 | N8 | 114.3° | 108.4° |
| C32 | C33 | H42 | 108.3° | 109.7° |
| C32 | C33 | H43 | 108.2° | 109.7° |
| C9 | C8 | N5 | 110.4° | 109.5° |
| C9 | C8 | C7 | 111.7° | 109.5° |
| C9 | C8 | H2 | 108.4° | 109.5° |
| C8 | C9 | H5 | 108.4° | 109.5° |
| C8 | C9 | H6 | 108.4° | 109.5° |
| C14 | C13 | N5 | 116.4° | 118.8° |
| C14 | C13 | O3 | 120.3° | 120.6° |
| C13 | C14 | H27 | 108.3° | 109.5° |
| C13 | N5 | C8 | 123.7° | 116.5° |
| N5 | C13 | O3 | 123.3° | 120.6° |
| C13 | N5 | H47 | 118.1° | 121.7° |
| N5 | C8 | C7 | 108.6° | 109.3° |
| N5 | C8 | H2 | 109.4° | 109.5° |
| C8 | N5 | H47 | 118.1° | 121.8° |
| O | C | N8 | 122.3° | 120.9° |
| O | C | C1 | 120.5° | 120.8° |
| C8 | C7 | O4 | 121.1° | 120.6° |
| C8 | C7 | N3 | 116.0° | 118.7° |
| C7 | C8 | H2 | 108.4° | 109.5° |
| N1 | C2 | N2 | 125.7° | 120.0° |
| N1 | C2 | N | 117.8° | 120.1° |
| C2 | N1 | H1 | 112.0° | 120.0° |
| C33 | N8 | C | 120.0° | 115.7° |
| N8 | C33 | H42 | 108.2° | 109.7° |
| N8 | C33 | H43 | 108.2° | 109.7° |
| C33 | N8 | H50 | 120.0° | 122.2° |
| O4 | C7 | N3 | 122.8° | 120.7° |
| N8 | C | C1 | 117.1° | 118.3° |
| C | N8 | H50 | 120.0° | 122.2° |
| C | C1 | N | 113.1° | 109.5° |
| C | C1 | C3 | 111.1° | 109.5° |
| C | C1 | H7 | 107.8° | 109.5° |
| C7 | N3 | C6 | 123.5° | 116.6° |
| C7 | N3 | H12 | 118.2° | 121.7° |
| N2 | C2 | N | 116.5° | 120.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N2 | H4 | 120.0° | 120.0° |
| C2 | N | C1 | 125.5° | 120.0° |
| C2 | N | H20 | 117.3° | 120.0° |
| N | C1 | C3 | 107.9° | 109.5° |
| N | C1 | H7 | 108.9° | 109.5° |
| C1 | N | H20 | 117.2° | 120.0° |
| C1 | C3 | C4 | 114.4° | 109.5° |
| C3 | C1 | H7 | 107.9° | 109.4° |
| C1 | C3 | H15 | 108.2° | 109.4° |
| C1 | C3 | H16 | 108.2° | 109.4° |
| N3 | C6 | C5 | 112.6° | 108.9° |
| N3 | C6 | H10 | 108.7° | 109.6° |
| N3 | C6 | H11 | 108.7° | 109.6° |
| C6 | N3 | H12 | 118.3° | 121.7° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C3 | C4 | H13 | 108.7° | 109.5° |
| C3 | C4 | H14 | 108.7° | 109.4° |
| C4 | C3 | H15 | 108.2° | 109.5° |
| C4 | C3 | H16 | 108.2° | 109.5° |
| C4 | C5 | C6 | 113.9° | 109.8° |
| C4 | C5 | H8 | 108.4° | 109.4° |
| C4 | C5 | H9 | 108.4° | 109.4° |
| C5 | C4 | H13 | 108.7° | 109.5° |
| C5 | C4 | H14 | 108.8° | 109.5° |
| C6 | C5 | H8 | 108.3° | 109.4° |
| C6 | C5 | H9 | 108.3° | 109.4° |
| C5 | C6 | H10 | 108.7° | 109.6° |
| C5 | C6 | H11 | 108.7° | 109.6° |
| H3 | N2 | H4 | 120.0° | 120.0° |
| H5 | C9 | H6 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.7° |
| H13 | C4 | H14 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.5° |
| H17 | N4 | H18 | 109.5° | 110.9° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H40 | C31 | H41 | 109.4° | 109.7° |
| H42 | C33 | H43 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H45 | 180.0° | 180.0° |
| C35 | C36 | C28 | H46 | 180.0° | 180.0° |
| C36 | C35 | C34 | C30 | 0.3° | 0.4° |
| C35 | C36 | C28 | C27 | 179.3° | 179.7° |
| C35 | C36 | C28 | C29 | 0.1° | 0.3° |
| C36 | C35 | C34 | H44 | 179.7° | 179.5° |
| C34 | C35 | C36 | C28 | 0.0° | 0.2° |
| C35 | C34 | C30 | H44 | 180.0° | 179.9° |
| C35 | C34 | C30 | C29 | 0.7° | 0.2° |
| C35 | C34 | C30 | C31 | 177.7° | 179.6° |
| C34 | C35 | C36 | H46 | 180.0° | 179.8° |
| C36 | C28 | C27 | C29 | 179.4° | 180.0° |
| C36 | C28 | C27 | C26 | 78.3° | 83.6° |
| C36 | C28 | C29 | C30 | 0.6° | 0.6° |
| C36 | C28 | C27 | H37 | 42.4° | 36.2° |
| C36 | C28 | C27 | H38 | 161.0° | 156.4° |
| C36 | C28 | C29 | H39 | 179.4° | 179.4° |
| C28 | C36 | C35 | H45 | 180.0° | 179.8° |
| C25 | C24 | C23 | H35 | 180.0° | 179.4° |
| C25 | C24 | C23 | C22 | 176.9° | 179.7° |
| C24 | C25 | C16 | H36 | 180.0° | 179.4° |
| C25 | C24 | C23 | C18 | 3.0° | 0.3° |
| C24 | C25 | C16 | C15 | 175.9° | 179.7° |
| C24 | C25 | C16 | C17 | 2.8° | 0.5° |
| C24 | C23 | C22 | C18 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 179.3° | 180.0° |
| C23 | C24 | C25 | C16 | 0.0° | 0.6° |
| C24 | C23 | C18 | C17 | 3.2° | 0.0° |
| C24 | C23 | C18 | C19 | 178.2° | 180.0° |
| C24 | C23 | C22 | H34 | 0.7° | 0.0° |
| C23 | C24 | C25 | H36 | 180.0° | 180.0° |
| C34 | C30 | C29 | C28 | 0.9° | 0.3° |
| C34 | C30 | C29 | C31 | 178.4° | 179.7° |
| C34 | C30 | C31 | N7 | 126.1° | 94.8° |
| C34 | C30 | C29 | H39 | 179.1° | 179.6° |
| C34 | C30 | C31 | H40 | 113.8° | 25.0° |
| C34 | C30 | C31 | H41 | 6.0° | 145.4° |
| C30 | C34 | C35 | H45 | 179.7° | 179.5° |
| C28 | C27 | C26 | H37 | 120.7° | 119.8° |
| C28 | C27 | C26 | H38 | 120.7° | 120.0° |
| C27 | C28 | C29 | C30 | 178.8° | 179.4° |
| C28 | C27 | C26 | N6 | 165.0° | 147.4° |
| C28 | C27 | C26 | O2 | 15.2° | 32.6° |
| C28 | C27 | H37 | H38 | 117.8° | 120.4° |
| C27 | C28 | C29 | H39 | 1.2° | 0.7° |
| C27 | C28 | C36 | H46 | 0.7° | 0.3° |
| C29 | C28 | C27 | C26 | 101.1° | 96.3° |
| C28 | C29 | C30 | H39 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 177.5° | 179.9° |
| C29 | C28 | C27 | H37 | 138.2° | 143.9° |
| C29 | C28 | C27 | H38 | 19.6° | 23.6° |
| C29 | C28 | C36 | H46 | 179.9° | 179.7° |
| C23 | C22 | C21 | H34 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.8° | 0.0° |
| C22 | C23 | C18 | C17 | 176.6° | 180.0° |
| C22 | C23 | C18 | C19 | 1.9° | 0.0° |
| C23 | C22 | C21 | H33 | 179.2° | 180.0° |
| C22 | C23 | C24 | H35 | 3.1° | 0.3° |
| C21 | C22 | C23 | C18 | 0.9° | 0.0° |
| C22 | C21 | C20 | H33 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.3° | 0.1° |
| C22 | C21 | C20 | H32 | 178.7° | 180.0° |
| C27 | C26 | N6 | O2 | 179.8° | 180.0° |
| C27 | C26 | N6 | C14 | 169.2° | 179.9° |
| C26 | C27 | H37 | H38 | 117.9° | 120.2° |
| C27 | C26 | N6 | H48 | 10.8° | 0.1° |
| C25 | C16 | C15 | C17 | 178.7° | 179.7° |
| C25 | C16 | C17 | C18 | 2.5° | 0.3° |
| C25 | C16 | C15 | C14 | 63.5° | 132.3° |
| C25 | C16 | C15 | H28 | 175.7° | 107.7° |
| C25 | C16 | C15 | H29 | 57.3° | 12.3° |
| C25 | C16 | C17 | H30 | 177.6° | 179.7° |
| C16 | C25 | C24 | H35 | 180.0° | 180.0° |
| C29 | C30 | C31 | N7 | 52.3° | 85.5° |
| C29 | C30 | C31 | H40 | 67.8° | 154.8° |
| C29 | C30 | C31 | H41 | 172.3° | 34.3° |
| C29 | C30 | C34 | H44 | 179.3° | 179.7° |
| C30 | C31 | N7 | H40 | 120.1° | 119.8° |
| C30 | C31 | N7 | H41 | 120.1° | 119.9° |
| C30 | C31 | N7 | C32 | 115.3° | 152.7° |
| C31 | C30 | C29 | H39 | 2.5° | 0.1° |
| C30 | C31 | H40 | H41 | 119.8° | 120.4° |
| C31 | C30 | C34 | H44 | 2.3° | 0.5° |
| C30 | C31 | N7 | H49 | 64.7° | 27.2° |
| C23 | C18 | C17 | C16 | 0.6° | 0.0° |
| C23 | C18 | C17 | C19 | 178.5° | 180.0° |
| C23 | C18 | C19 | C20 | 1.4° | 0.0° |
| C23 | C18 | C17 | H30 | 179.4° | 180.0° |
| C23 | C18 | C19 | H31 | 178.6° | 180.0° |
| C18 | C23 | C22 | H34 | 179.1° | 179.9° |
| C18 | C23 | C24 | H35 | 177.0° | 179.7° |
| C31 | N7 | C32 | O1 | 7.8° | 1.4° |
| C31 | N7 | C32 | H49 | 180.0° | 179.9° |
| C31 | N7 | C32 | C33 | 173.9° | 178.5° |
| N7 | C31 | H40 | H41 | 119.8° | 120.2° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C21 | C20 | C19 | H32 | 180.0° | 179.9° |
| C21 | C20 | C19 | H31 | 179.8° | 179.9° |
| C20 | C21 | C22 | H34 | 179.2° | 180.0° |
| N4 | C12 | C11 | H25 | 120.5° | 120.0° |
| N4 | C12 | C11 | H26 | 120.5° | 120.0° |
| N4 | C12 | C11 | C10 | 168.9° | 180.0° |
| C12 | N4 | H17 | H18 | 120.0° | 123.9° |
| N4 | C12 | C11 | H23 | 70.9° | 60.0° |
| N4 | C12 | C11 | H24 | 48.7° | 60.0° |
| N4 | C12 | H25 | H26 | 118.4° | 120.0° |
| C12 | C11 | C10 | H23 | 120.2° | 120.1° |
| C12 | C11 | C10 | H24 | 120.2° | 120.0° |
| C12 | C11 | C10 | C9 | 172.9° | 180.0° |
| C11 | C12 | N4 | H17 | 180.0° | 179.9° |
| C11 | C12 | N4 | H18 | 60.0° | 56.1° |
| C12 | C11 | C10 | H21 | 66.2° | 60.0° |
| C12 | C11 | C10 | H22 | 52.1° | 60.0° |
| C12 | C11 | H23 | H24 | 119.4° | 120.0° |
| C11 | C12 | H25 | H26 | 118.4° | 120.0° |
| O1 | C32 | N7 | C33 | 178.3° | 180.0° |
| O1 | C32 | C33 | N8 | 153.9° | 47.9° |
| O1 | C32 | C33 | H42 | 33.2° | 167.6° |
| O1 | C32 | C33 | H43 | 85.4° | 71.8° |
| O1 | C32 | N7 | H49 | 172.3° | 178.7° |
| C16 | C15 | C14 | N6 | 74.3° | 179.8° |
| C15 | C16 | C17 | C18 | 176.3° | 180.0° |
| C16 | C15 | C14 | H28 | 120.8° | 120.0° |
| C16 | C15 | C14 | H29 | 120.8° | 120.0° |
| C16 | C15 | C14 | C13 | 162.1° | 60.5° |
| C16 | C15 | C14 | H27 | 44.1° | 59.7° |
| C16 | C15 | H28 | H29 | 117.4° | 120.0° |
| C15 | C16 | C17 | H30 | 3.7° | 0.0° |
| C15 | C16 | C25 | H36 | 4.1° | 0.3° |
| C16 | C17 | C18 | H30 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.0° | 180.0° |
| C17 | C16 | C15 | C14 | 115.2° | 48.0° |
| C17 | C16 | C15 | H28 | 5.6° | 72.0° |
| C17 | C16 | C15 | H29 | 124.0° | 168.0° |
| C17 | C16 | C25 | H36 | 177.2° | 180.0° |
| C11 | C10 | C9 | H21 | 120.9° | 120.0° |
| C11 | C10 | C9 | H22 | 120.8° | 120.0° |
| C11 | C10 | C9 | C8 | 70.7° | 180.0° |
| C11 | C10 | C9 | H5 | 49.9° | 60.0° |
| C11 | C10 | C9 | H6 | 168.7° | 60.0° |
| C11 | C10 | H21 | H22 | 117.3° | 120.0° |
| C10 | C11 | H23 | H24 | 119.4° | 120.0° |
| C10 | C11 | C12 | H25 | 48.4° | 60.0° |
| C10 | C11 | C12 | H26 | 70.6° | 60.0° |
| C10 | C9 | C8 | H5 | 120.6° | 120.0° |
| C10 | C9 | C8 | H6 | 120.6° | 120.0° |
| C10 | C9 | C8 | N5 | 56.1° | 65.1° |
| C10 | C9 | C8 | C7 | 177.0° | 175.0° |
| C10 | C9 | C8 | H2 | 63.6° | 55.0° |
| C10 | C9 | H5 | H6 | 118.1° | 120.0° |
| C9 | C10 | H21 | H22 | 117.4° | 120.0° |
| C9 | C10 | C11 | H23 | 52.7° | 60.0° |
| C9 | C10 | C11 | H24 | 66.9° | 60.0° |
| C26 | N6 | C14 | H48 | 180.0° | 180.0° |
| C26 | N6 | C14 | C15 | 125.6° | 30.7° |
| C26 | N6 | C14 | C13 | 112.4° | 150.5° |
| C26 | N6 | C14 | H27 | 7.9° | 89.7° |
| N6 | C26 | C27 | H37 | 44.3° | 92.8° |
| N6 | C26 | C27 | H38 | 74.3° | 27.4° |
| C14 | N6 | C26 | O2 | 11.0° | 0.1° |
| N6 | C14 | C15 | C13 | 123.6° | 119.3° |
| N6 | C14 | C15 | H27 | 118.4° | 120.5° |
| N6 | C14 | C13 | H27 | 120.9° | 119.8° |
| N6 | C14 | C13 | N5 | 1.0° | 144.7° |
| N6 | C14 | C13 | O3 | 177.7° | 35.3° |
| N6 | C14 | C15 | H28 | 164.8° | 60.1° |
| N6 | C14 | C15 | H29 | 46.5° | 59.9° |
| C17 | C18 | C19 | C20 | 177.1° | 180.0° |
| C17 | C18 | C19 | H31 | 2.9° | 0.1° |
| C18 | C19 | C20 | H31 | 180.0° | 180.0° |
| C19 | C18 | C17 | H30 | 0.9° | 0.0° |
| C18 | C19 | C20 | H32 | 179.8° | 180.0° |
| O2 | C26 | C27 | H37 | 135.8° | 87.2° |
| O2 | C26 | C27 | H38 | 105.5° | 152.6° |
| O2 | C26 | N6 | H48 | 169.0° | 179.9° |
| C19 | C20 | C21 | H33 | 178.6° | 180.0° |
| C15 | C14 | C13 | H27 | 117.9° | 120.3° |
| C15 | C14 | C13 | N5 | 122.3° | 24.7° |
| C15 | C14 | C13 | O3 | 56.4° | 155.2° |
| C14 | C15 | H28 | H29 | 117.5° | 120.0° |
| C15 | C14 | N6 | H48 | 54.4° | 149.3° |
| N7 | C32 | C33 | N8 | 27.7° | 132.1° |
| C32 | N7 | C31 | H40 | 4.8° | 87.5° |
| C32 | N7 | C31 | H41 | 124.7° | 32.8° |
| N7 | C32 | C33 | H42 | 148.4° | 12.3° |
| N7 | C32 | C33 | H43 | 93.0° | 108.2° |
| C32 | C33 | N8 | H42 | 120.7° | 119.7° |
| C32 | C33 | N8 | H43 | 120.7° | 119.7° |
| C32 | C33 | N8 | C | 71.3° | 157.9° |
| C32 | C33 | H42 | H43 | 117.8° | 120.5° |
| C33 | C32 | N7 | H49 | 6.1° | 1.3° |
| C32 | C33 | N8 | H50 | 108.6° | 22.1° |
| C9 | C8 | N5 | C13 | 115.9° | 130.8° |
| C9 | C8 | N5 | C7 | 122.7° | 119.9° |
| C9 | C8 | N5 | H2 | 119.2° | 120.1° |
| C9 | C8 | C7 | H2 | 119.3° | 120.1° |
| C9 | C8 | C7 | O4 | 41.8° | 171.9° |
| C9 | C8 | C7 | N3 | 140.8° | 8.4° |
| C8 | C9 | H5 | H6 | 118.1° | 120.0° |
| C8 | C9 | C10 | H21 | 168.5° | 60.0° |
| C8 | C9 | C10 | H22 | 50.2° | 60.0° |
| C9 | C8 | N5 | H47 | 64.1° | 49.2° |
| C14 | C13 | N5 | O3 | 178.7° | 179.9° |
| C14 | C13 | N5 | C8 | 166.7° | 178.3° |
| C13 | C14 | C15 | H28 | 41.3° | 179.5° |
| C13 | C14 | C15 | H29 | 77.1° | 59.5° |
| C14 | C13 | N5 | H47 | 13.4° | 1.7° |
| C13 | C14 | N6 | H48 | 67.6° | 29.4° |
| C13 | N5 | C8 | H47 | 180.0° | 180.0° |
| C13 | N5 | C8 | C7 | 121.3° | 109.2° |
| C13 | N5 | C8 | H2 | 3.2° | 10.7° |
| N5 | C13 | C14 | H27 | 119.8° | 95.5° |
| C8 | N5 | C13 | O3 | 12.0° | 1.7° |
| N5 | C8 | C7 | H2 | 118.7° | 120.0° |
| N5 | C8 | C7 | O4 | 80.1° | 68.2° |
| N5 | C8 | C7 | N3 | 97.3° | 111.6° |
| N5 | C8 | C9 | H5 | 176.8° | 54.9° |
| N5 | C8 | C9 | H6 | 64.5° | 174.8° |
| O | C | N8 | C33 | 4.0° | 0.1° |
| O | C | N8 | C1 | 178.8° | 179.9° |
| O | C | C1 | N | 147.6° | 94.4° |
| O | C | C1 | C3 | 90.9° | 25.6° |
| O | C | C1 | H7 | 27.2° | 145.6° |
| O | C | N8 | H50 | 176.0° | 179.8° |
| O3 | C13 | C14 | H27 | 61.5° | 84.5° |
| O3 | C13 | N5 | H47 | 168.0° | 178.2° |
| C8 | C7 | O4 | N3 | 177.2° | 179.7° |
| C8 | C7 | N3 | C6 | 170.9° | 177.6° |
| C7 | C8 | C9 | H5 | 62.3° | 65.0° |
| C7 | C8 | C9 | H6 | 56.4° | 55.0° |
| C8 | C7 | N3 | H12 | 9.1° | 2.4° |
| C7 | C8 | N5 | H47 | 58.7° | 70.7° |
| N1 | C2 | N2 | N | 178.4° | 180.0° |
| N1 | C2 | N | C1 | 3.2° | 180.0° |
| N1 | C2 | N2 | H3 | 178.4° | 0.0° |
| N1 | C2 | N2 | H4 | 1.6° | 180.0° |
| N1 | C2 | N | H20 | 176.8° | 0.0° |
| C33 | N8 | C | H50 | 180.0° | 180.0° |
| C33 | N8 | C | C1 | 174.9° | 179.9° |
| N8 | C33 | H42 | H43 | 117.8° | 120.6° |
| O4 | C7 | N3 | C6 | 6.4° | 2.7° |
| O4 | C7 | C8 | H2 | 161.2° | 51.8° |
| O4 | C7 | N3 | H12 | 173.6° | 177.4° |
| N8 | C | C1 | N | 33.6° | 85.7° |
| N8 | C | C1 | C3 | 88.0° | 154.3° |
| N8 | C | C1 | H7 | 154.0° | 34.3° |
| C | N8 | C33 | H42 | 49.4° | 38.2° |
| C | N8 | C33 | H43 | 167.9° | 82.4° |
| C | C1 | N | C2 | 73.2° | 85.0° |
| C | C1 | N | C3 | 123.3° | 120.0° |
| C | C1 | N | H7 | 119.8° | 120.0° |
| C | C1 | C3 | H7 | 118.0° | 120.0° |
| C | C1 | C3 | C4 | 58.1° | 118.4° |
| C | C1 | C3 | H15 | 62.6° | 1.6° |
| C | C1 | C3 | H16 | 178.9° | 121.6° |
| C | C1 | N | H20 | 106.8° | 95.0° |
| C1 | C | N8 | H50 | 5.1° | 0.1° |
| C7 | N3 | C6 | H12 | 180.0° | 179.9° |
| C7 | N3 | C6 | C5 | 96.9° | 47.3° |
| N3 | C7 | C8 | H2 | 21.4° | 128.5° |
| C7 | N3 | C6 | H10 | 142.6° | 167.2° |
| C7 | N3 | C6 | H11 | 23.6° | 72.5° |
| N2 | C2 | N | C1 | 175.3° | 0.0° |
| N2 | C2 | N1 | H1 | 178.3° | 180.0° |
| C2 | N2 | H3 | H4 | 179.9° | 179.9° |
| N2 | C2 | N | H20 | 4.7° | 180.0° |
| C2 | N | C1 | H20 | 180.0° | 180.0° |
| C2 | N | C1 | C3 | 163.5° | 155.0° |
| N | C2 | N1 | H1 | 0.0° | 0.1° |
| N | C2 | N2 | H3 | 0.0° | 180.0° |
| N | C2 | N2 | H4 | 180.0° | 0.1° |
| C2 | N | C1 | H7 | 46.6° | 35.0° |
| N | C1 | C3 | H7 | 117.4° | 120.0° |
| N | C1 | C3 | C4 | 177.3° | 121.6° |
| N | C1 | C3 | H15 | 61.9° | 118.4° |
| N | C1 | C3 | H16 | 56.6° | 1.6° |
| C1 | C3 | C4 | H15 | 120.7° | 119.9° |
| C1 | C3 | C4 | H16 | 120.8° | 120.0° |
| C1 | C3 | C4 | C5 | 174.6° | 121.2° |
| C1 | C3 | C4 | H13 | 54.2° | 1.1° |
| C1 | C3 | C4 | H14 | 64.9° | 118.9° |
| C1 | C3 | H15 | H16 | 117.8° | 120.0° |
| C3 | C1 | N | H20 | 16.5° | 25.0° |
| N3 | C6 | C5 | C4 | 55.8° | 150.2° |
| N3 | C6 | C5 | H10 | 120.5° | 119.9° |
| N3 | C6 | C5 | H11 | 120.5° | 119.8° |
| N3 | C6 | C5 | H8 | 176.5° | 89.7° |
| N3 | C6 | C5 | H9 | 64.8° | 30.2° |
| N3 | C6 | H10 | H11 | 118.6° | 120.3° |
| C3 | C4 | C5 | H13 | 120.4° | 120.1° |
| C3 | C4 | C5 | H14 | 120.4° | 119.9° |
| C3 | C4 | C5 | C6 | 175.4° | 132.0° |
| C4 | C3 | C1 | H7 | 59.9° | 1.7° |
| C3 | C4 | C5 | H8 | 64.0° | 11.9° |
| C3 | C4 | C5 | H9 | 54.7° | 108.0° |
| C3 | C4 | H13 | H14 | 118.7° | 119.9° |
| C4 | C3 | H15 | H16 | 117.7° | 120.1° |
| C4 | C5 | C6 | H8 | 120.6° | 120.1° |
| C4 | C5 | C6 | H9 | 120.7° | 120.0° |
| C4 | C5 | H8 | H9 | 118.0° | 119.8° |
| C4 | C5 | C6 | H10 | 176.3° | 89.9° |
| C4 | C5 | C6 | H11 | 64.7° | 30.4° |
| C5 | C4 | H13 | H14 | 118.7° | 120.0° |
| C5 | C4 | C3 | H15 | 64.6° | 1.2° |
| C5 | C4 | C3 | H16 | 53.9° | 118.8° |
| C6 | C5 | H8 | H9 | 118.0° | 119.9° |
| C5 | C6 | H10 | H11 | 118.5° | 120.3° |
| C5 | C6 | N3 | H12 | 83.1° | 132.7° |
| C6 | C5 | C4 | H13 | 54.9° | 108.0° |
| C6 | C5 | C4 | H14 | 64.2° | 12.0° |
| H2 | C8 | C9 | H5 | 57.0° | 175.0° |
| H2 | C8 | C9 | H6 | 175.8° | 65.1° |
| H2 | C8 | N5 | H47 | 176.8° | 169.3° |
| H5 | C9 | C10 | H21 | 70.9° | 179.9° |
| H5 | C9 | C10 | H22 | 170.7° | 60.0° |
| H6 | C9 | C10 | H21 | 47.9° | 60.0° |
| H6 | C9 | C10 | H22 | 70.5° | 180.0° |
| H7 | C1 | C3 | H15 | 179.4° | 121.6° |
| H7 | C1 | C3 | H16 | 60.8° | 118.4° |
| H7 | C1 | N | H20 | 133.4° | 145.0° |
| H8 | C5 | C6 | H10 | 63.1° | 30.2° |
| H8 | C5 | C6 | H11 | 56.0° | 150.5° |
| H8 | C5 | C4 | H13 | 175.6° | 131.9° |
| H8 | C5 | C4 | H14 | 56.4° | 108.0° |
| H9 | C5 | C6 | H10 | 55.7° | 150.1° |
| H9 | C5 | C6 | H11 | 174.7° | 89.6° |
| H9 | C5 | C4 | H13 | 65.7° | 12.1° |
| H9 | C5 | C4 | H14 | 175.2° | 132.1° |
| H10 | C6 | N3 | H12 | 37.4° | 12.8° |
| H11 | C6 | N3 | H12 | 156.4° | 107.5° |
| H13 | C4 | C3 | H15 | 174.9° | 118.8° |
| H13 | C4 | C3 | H16 | 66.5° | 121.1° |
| H14 | C4 | C3 | H15 | 55.8° | 121.2° |
| H14 | C4 | C3 | H16 | 174.3° | 1.1° |
| H17 | N4 | C12 | H25 | 59.5° | 59.9° |
| H17 | N4 | C12 | H26 | 59.5° | 60.1° |
| H18 | N4 | C12 | H25 | 60.5° | 64.0° |
| H18 | N4 | C12 | H26 | 179.5° | 176.0° |
| H21 | C10 | C11 | H23 | 173.6° | 180.0° |
| H21 | C10 | C11 | H24 | 54.0° | 60.0° |
| H22 | C10 | C11 | H23 | 68.1° | 60.1° |
| H22 | C10 | C11 | H24 | 172.3° | 180.0° |
| H23 | C11 | C12 | H25 | 168.6° | 60.0° |
| H23 | C11 | C12 | H26 | 49.6° | 180.0° |
| H24 | C11 | C12 | H25 | 71.8° | 180.0° |
| H24 | C11 | C12 | H26 | 169.2° | 59.9° |
| H27 | C14 | C15 | H28 | 76.7° | 60.3° |
| H27 | C14 | C15 | H29 | 164.9° | 179.7° |
| H27 | C14 | N6 | H48 | 172.1° | 90.3° |
| H31 | C19 | C20 | H32 | 0.3° | 0.0° |
| H32 | C20 | C21 | H33 | 1.4° | 0.1° |
| H33 | C21 | C22 | H34 | 0.8° | 0.1° |
| H35 | C24 | C25 | H36 | 0.0° | 0.6° |
| H40 | C31 | N7 | H49 | 175.2° | 92.6° |
| H41 | C31 | N7 | H49 | 55.3° | 147.0° |
| H42 | C33 | N8 | H50 | 130.6° | 141.8° |
| H43 | C33 | N8 | H50 | 12.1° | 97.6° |
| H44 | C34 | C35 | H45 | 0.3° | 0.6° |
| H45 | C35 | C36 | H46 | 0.0° | 0.2° |
