0KN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C10 | sing | 1.37Å | 1.36Å | |
| O32 | C33 | sing | 1.44Å | 1.45Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C2 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| N1 | C35 | sing | 1.35Å | 1.33Å | |
| C8 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | O14 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C33 | O34 | sing | 1.44Å | 1.43Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| N5 | C4 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| C37 | C35 | sing | 1.51Å | 1.52Å | |
| C37 | O39 | sing | 1.43Å | 1.43Å | |
| C40 | O39 | sing | 1.43Å | 1.44Å | |
| C35 | O36 | doub | 1.21Å | 1.23Å | |
| C11 | O34 | sing | 1.36Å | 1.36Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C6 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C6 | C15 | sing | 1.51Å | 1.55Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.54Å | 1.54Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C29 | C18 | sing | 1.53Å | 1.54Å | |
| C31 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | O17 | sing | 1.42Å | 1.44Å | |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| O17 | C16 | sing | 1.36Å | 1.37Å | |
| C16 | N23 | doub | 1.33Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.51Å | 1.54Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| N23 | C22 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | H23 | sing | 1.01Å | 1.00Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| O14 | H28 | sing | 0.97Å | 0.95Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| N1 | H30 | sing | 0.97Å | 1.00Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.08Å | 1.08Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C12 | H43 | sing | 1.08Å | 1.08Å | |
| C13 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | O32 | C33 | 103.8° | 105.5° |
| O32 | C10 | C9 | 131.3° | 131.6° |
| O32 | C10 | C11 | 107.8° | 108.6° |
| O32 | C33 | O34 | 104.8° | 103.7° |
| O32 | C33 | H41 | 110.6° | 110.5° |
| O32 | C33 | H42 | 110.6° | 110.5° |
| C10 | C9 | C8 | 118.4° | 120.1° |
| C9 | C10 | C11 | 120.9° | 119.8° |
| C10 | C9 | H40 | 120.8° | 119.9° |
| C9 | C8 | C7 | 122.0° | 119.9° |
| C9 | C8 | C13 | 120.2° | 120.1° |
| C8 | C9 | H40 | 120.8° | 120.0° |
| C8 | C7 | C2 | 108.1° | 109.5° |
| C7 | C8 | C13 | 117.8° | 119.9° |
| C8 | C7 | H38 | 109.8° | 109.5° |
| C8 | C7 | H39 | 109.8° | 109.5° |
| C7 | C2 | N1 | 105.4° | 109.4° |
| C7 | C2 | C3 | 112.8° | 109.5° |
| C7 | C2 | H29 | 108.2° | 109.4° |
| C2 | C7 | H38 | 109.8° | 109.4° |
| C2 | C7 | H39 | 109.8° | 109.5° |
| C10 | C11 | O34 | 110.0° | 108.6° |
| C10 | C11 | C12 | 120.1° | 119.8° |
| C2 | N1 | C35 | 123.0° | 120.0° |
| N1 | C2 | C3 | 112.9° | 109.5° |
| N1 | C2 | H29 | 109.1° | 109.5° |
| C2 | N1 | H30 | 118.5° | 120.0° |
| N1 | C35 | C37 | 116.8° | 120.0° |
| N1 | C35 | O36 | 124.5° | 120.0° |
| C35 | N1 | H30 | 118.5° | 120.0° |
| C8 | C13 | C12 | 121.4° | 120.1° |
| C8 | C13 | H44 | 119.3° | 119.9° |
| C2 | C3 | O14 | 109.1° | 109.5° |
| C2 | C3 | C4 | 113.5° | 109.4° |
| C2 | C3 | H27 | 108.1° | 109.4° |
| C3 | C2 | H29 | 108.3° | 109.5° |
| O14 | C3 | C4 | 108.4° | 109.5° |
| O14 | C3 | H27 | 109.5° | 109.5° |
| C3 | O14 | H28 | 109.5° | 114.0° |
| C3 | C4 | N5 | 108.7° | 109.4° |
| C3 | C4 | H25 | 109.6° | 109.5° |
| C3 | C4 | H26 | 109.6° | 109.5° |
| C4 | C3 | H27 | 108.2° | 109.5° |
| C33 | O34 | C11 | 103.2° | 105.5° |
| O34 | C33 | H41 | 110.6° | 110.6° |
| O34 | C33 | H42 | 110.6° | 110.6° |
| C38 | C37 | C35 | 109.7° | 109.5° |
| C38 | C37 | O39 | 113.2° | 109.5° |
| C38 | C37 | H31 | 108.4° | 109.5° |
| C37 | C38 | H32 | 109.5° | 109.5° |
| C37 | C38 | H33 | 109.4° | 109.5° |
| C37 | C38 | H34 | 109.5° | 109.4° |
| C4 | N5 | C6 | 115.4° | 111.0° |
| C4 | N5 | H23 | 108.0° | 111.0° |
| N5 | C4 | H25 | 109.7° | 109.4° |
| N5 | C4 | H26 | 109.7° | 109.5° |
| N5 | C6 | C19 | 110.0° | 109.4° |
| N5 | C6 | C15 | 112.3° | 109.4° |
| N5 | C6 | H22 | 108.0° | 109.2° |
| C6 | N5 | H23 | 108.0° | 111.0° |
| C35 | C37 | O39 | 107.0° | 109.5° |
| C37 | C35 | O36 | 118.6° | 120.0° |
| C35 | C37 | H31 | 108.6° | 109.4° |
| C37 | O39 | C40 | 109.4° | 114.0° |
| O39 | C37 | H31 | 109.8° | 109.5° |
| O39 | C40 | H35 | 109.5° | 109.5° |
| O39 | C40 | H36 | 109.5° | 109.5° |
| O39 | C40 | H37 | 109.5° | 109.5° |
| O34 | C11 | C12 | 129.9° | 131.6° |
| C11 | C12 | C13 | 119.0° | 120.1° |
| C11 | C12 | H43 | 120.5° | 120.0° |
| C6 | C19 | C18 | 110.7° | 108.1° |
| C19 | C6 | C15 | 112.0° | 110.1° |
| C6 | C19 | H7 | 109.2° | 109.8° |
| C6 | C19 | H8 | 109.2° | 109.7° |
| C19 | C6 | H22 | 107.3° | 109.4° |
| C19 | C18 | C29 | 111.6° | 113.7° |
| C19 | C18 | C31 | 113.3° | 113.6° |
| C19 | C18 | O17 | 113.3° | 111.9° |
| C18 | C19 | H7 | 109.2° | 109.7° |
| C18 | C19 | H8 | 109.2° | 109.8° |
| C6 | C15 | C20 | 120.1° | 118.6° |
| C6 | C15 | C16 | 121.5° | 122.3° |
| C15 | C6 | H22 | 107.1° | 109.4° |
| C13 | C12 | H43 | 120.5° | 120.0° |
| C12 | C13 | H44 | 119.3° | 120.0° |
| C29 | C30 | C31 | 90.2° | 87.2° |
| C30 | C29 | C18 | 90.0° | 86.9° |
| C30 | C29 | H1 | 114.1° | 113.6° |
| C30 | C29 | H2 | 114.1° | 113.7° |
| C29 | C30 | H3 | 114.1° | 113.6° |
| C29 | C30 | H4 | 114.0° | 113.5° |
| C30 | C31 | C18 | 89.8° | 86.9° |
| C31 | C30 | H3 | 114.1° | 113.6° |
| C31 | C30 | H4 | 114.0° | 113.6° |
| C30 | C31 | H5 | 114.1° | 113.6° |
| C30 | C31 | H6 | 114.1° | 113.7° |
| C29 | C18 | C31 | 89.7° | 87.6° |
| C29 | C18 | O17 | 111.8° | 114.1° |
| C18 | C29 | H1 | 114.1° | 113.6° |
| C18 | C29 | H2 | 114.1° | 113.6° |
| C31 | C18 | O17 | 114.9° | 113.9° |
| C18 | C31 | H5 | 114.1° | 113.6° |
| C18 | C31 | H6 | 114.2° | 113.6° |
| C18 | O17 | C16 | 116.5° | 117.3° |
| C20 | C15 | C16 | 118.4° | 119.1° |
| C15 | C20 | C21 | 119.6° | 118.8° |
| C15 | C20 | H21 | 120.2° | 120.6° |
| C15 | C16 | O17 | 122.4° | 121.8° |
| C15 | C16 | N23 | 120.2° | 120.2° |
| C20 | C21 | C24 | 120.7° | 120.4° |
| C20 | C21 | C22 | 119.2° | 119.1° |
| C21 | C20 | H21 | 120.2° | 120.7° |
| O17 | C16 | N23 | 117.4° | 118.1° |
| C16 | N23 | C22 | 122.3° | 122.1° |
| C26 | C25 | C24 | 109.9° | 109.5° |
| C26 | C25 | C27 | 108.2° | 109.5° |
| C26 | C25 | C28 | 108.9° | 109.4° |
| C25 | C26 | H18 | 109.5° | 109.4° |
| C25 | C26 | H19 | 109.5° | 109.5° |
| C25 | C26 | H20 | 109.4° | 109.5° |
| C24 | C21 | C22 | 120.1° | 120.5° |
| C21 | C24 | C25 | 113.6° | 109.4° |
| C21 | C24 | H10 | 108.4° | 109.5° |
| C21 | C24 | H11 | 108.4° | 109.5° |
| C21 | C22 | N23 | 120.3° | 120.7° |
| C21 | C22 | H9 | 119.8° | 119.6° |
| C24 | C25 | C27 | 109.3° | 109.5° |
| C24 | C25 | C28 | 111.8° | 109.5° |
| C25 | C24 | H10 | 108.4° | 109.5° |
| C25 | C24 | H11 | 108.4° | 109.4° |
| N23 | C22 | H9 | 119.8° | 119.7° |
| C27 | C25 | C28 | 108.6° | 109.5° |
| C25 | C27 | H12 | 109.5° | 109.5° |
| C25 | C27 | H13 | 109.5° | 109.5° |
| C25 | C27 | H14 | 109.5° | 109.5° |
| C25 | C28 | H15 | 109.5° | 109.5° |
| C25 | C28 | H16 | 109.5° | 109.5° |
| C25 | C28 | H17 | 109.5° | 109.5° |
| H1 | C29 | H2 | 109.4° | 112.9° |
| H3 | C30 | H4 | 109.5° | 112.9° |
| H5 | C31 | H6 | 109.5° | 113.0° |
| H7 | C19 | H8 | 109.5° | 109.8° |
| H10 | C24 | H11 | 109.5° | 109.6° |
| H12 | C27 | H13 | 109.5° | 109.4° |
| H12 | C27 | H14 | 109.5° | 109.4° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H15 | C28 | H17 | 109.5° | 109.4° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.4° | 109.5° |
| H18 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H25 | C4 | H26 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.5° | 109.5° |
| H32 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.5° |
| H35 | C40 | H37 | 109.5° | 109.5° |
| H36 | C40 | H37 | 109.5° | 109.4° |
| H38 | C7 | H39 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C10 | C9 | C11 | 179.9° | 179.9° |
| O32 | C10 | C9 | C8 | 179.8° | 180.0° |
| C10 | O32 | C33 | O34 | 31.1° | 27.1° |
| O32 | C10 | C11 | O34 | 0.2° | 0.1° |
| O32 | C10 | C11 | C12 | 180.0° | 180.0° |
| O32 | C10 | C9 | H40 | 0.2° | 0.0° |
| C10 | O32 | C33 | H41 | 88.1° | 145.7° |
| C10 | O32 | C33 | H42 | 150.4° | 91.4° |
| C33 | O32 | C10 | C9 | 160.5° | 162.7° |
| C33 | O32 | C10 | C11 | 19.4° | 17.2° |
| O32 | C33 | O34 | H41 | 119.3° | 118.5° |
| O32 | C33 | O34 | H42 | 119.3° | 118.5° |
| O32 | C33 | O34 | C11 | 30.7° | 27.2° |
| O32 | C33 | H41 | H42 | 122.2° | 122.8° |
| C10 | C9 | C8 | H40 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 179.8° | 180.0° |
| C10 | C9 | C8 | C13 | 0.3° | 0.4° |
| C9 | C10 | C11 | O34 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C9 | C8 | C7 | C13 | 179.5° | 179.7° |
| C9 | C8 | C7 | C2 | 122.2° | 89.7° |
| C8 | C9 | C10 | C11 | 0.3° | 0.1° |
| C9 | C8 | C13 | C12 | 0.1° | 0.6° |
| C9 | C8 | C7 | H38 | 118.0° | 150.3° |
| C9 | C8 | C7 | H39 | 2.5° | 30.3° |
| C9 | C8 | C13 | H44 | 179.9° | 179.7° |
| C8 | C7 | C2 | H38 | 119.8° | 120.0° |
| C8 | C7 | C2 | H39 | 119.8° | 120.0° |
| C8 | C7 | C2 | N1 | 62.2° | 65.0° |
| C8 | C7 | C2 | C3 | 174.2° | 175.0° |
| C7 | C8 | C13 | C12 | 179.7° | 179.7° |
| C8 | C7 | C2 | H29 | 54.4° | 55.0° |
| C8 | C7 | H38 | H39 | 120.7° | 120.0° |
| C7 | C8 | C9 | H40 | 0.1° | 0.1° |
| C7 | C8 | C13 | H44 | 0.3° | 0.0° |
| C7 | C2 | N1 | C3 | 123.5° | 120.0° |
| C7 | C2 | N1 | H29 | 116.0° | 119.9° |
| C7 | C2 | N1 | C35 | 130.6° | 60.1° |
| C2 | C7 | C8 | C13 | 57.3° | 89.9° |
| C7 | C2 | C3 | H29 | 119.7° | 119.9° |
| C7 | C2 | C3 | O14 | 60.8° | 55.9° |
| C7 | C2 | C3 | C4 | 178.3° | 175.9° |
| C7 | C2 | C3 | H27 | 58.3° | 64.1° |
| C7 | C2 | N1 | H30 | 49.4° | 120.0° |
| C2 | C7 | H38 | H39 | 120.6° | 120.0° |
| C10 | C11 | O34 | C33 | 19.3° | 17.3° |
| C10 | C11 | O34 | C12 | 179.8° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C11 | C10 | C9 | H40 | 179.7° | 180.0° |
| C10 | C11 | C12 | H43 | 179.9° | 179.9° |
| C2 | N1 | C35 | H30 | 180.0° | 179.9° |
| N1 | C2 | C3 | H29 | 121.0° | 120.1° |
| N1 | C2 | C3 | O14 | 179.9° | 175.9° |
| N1 | C2 | C3 | C4 | 58.9° | 64.1° |
| C2 | N1 | C35 | C37 | 178.0° | 174.6° |
| C2 | N1 | C35 | O36 | 6.1° | 5.4° |
| N1 | C2 | C3 | H27 | 61.1° | 55.9° |
| N1 | C2 | C7 | H38 | 178.0° | 55.0° |
| N1 | C2 | C7 | H39 | 57.6° | 175.0° |
| C35 | N1 | C2 | C3 | 105.8° | 60.0° |
| N1 | C35 | C37 | C38 | 86.6° | 67.9° |
| N1 | C35 | C37 | O36 | 176.1° | 180.0° |
| N1 | C35 | C37 | O39 | 150.2° | 172.1° |
| C35 | N1 | C2 | H29 | 14.6° | 180.0° |
| N1 | C35 | C37 | H31 | 31.8° | 52.2° |
| C8 | C13 | C12 | C11 | 0.1° | 0.6° |
| C8 | C13 | C12 | H44 | 180.0° | 179.7° |
| C13 | C8 | C7 | H38 | 62.5° | 30.0° |
| C13 | C8 | C7 | H39 | 177.0° | 150.0° |
| C13 | C8 | C9 | H40 | 179.7° | 179.7° |
| C8 | C13 | C12 | H43 | 179.9° | 179.7° |
| C2 | C3 | O14 | C4 | 124.0° | 120.0° |
| C2 | C3 | O14 | H27 | 118.1° | 120.0° |
| C2 | C3 | C4 | H27 | 119.9° | 119.9° |
| C2 | C3 | C4 | N5 | 179.4° | 179.1° |
| C2 | C3 | C4 | H25 | 59.5° | 61.0° |
| C2 | C3 | C4 | H26 | 60.7° | 59.1° |
| C2 | C3 | O14 | H28 | 180.0° | 60.0° |
| C3 | C2 | N1 | H30 | 74.1° | 120.0° |
| C3 | C2 | C7 | H38 | 54.4° | 65.0° |
| C3 | C2 | C7 | H39 | 66.1° | 55.0° |
| O14 | C3 | C4 | H27 | 118.7° | 120.1° |
| O14 | C3 | C4 | N5 | 59.3° | 60.9° |
| O14 | C3 | C4 | H25 | 179.1° | 59.0° |
| O14 | C3 | C4 | H26 | 60.6° | 179.1° |
| O14 | C3 | C2 | H29 | 59.0° | 64.0° |
| C3 | C4 | N5 | H25 | 119.9° | 119.9° |
| C3 | C4 | N5 | H26 | 119.9° | 120.1° |
| C3 | C4 | N5 | C6 | 161.6° | 86.2° |
| C3 | C4 | N5 | H23 | 40.7° | 37.7° |
| C3 | C4 | H25 | H26 | 120.3° | 120.1° |
| C4 | C3 | O14 | H28 | 56.0° | 60.0° |
| C4 | C3 | C2 | H29 | 62.0° | 56.0° |
| C33 | O34 | C11 | C12 | 160.5° | 162.8° |
| O34 | C33 | H41 | H42 | 122.1° | 122.9° |
| C38 | C37 | C35 | O39 | 123.2° | 120.0° |
| C38 | C37 | C35 | H31 | 118.4° | 120.0° |
| C38 | C37 | O39 | H31 | 121.3° | 120.0° |
| C38 | C37 | O39 | C40 | 142.8° | 94.4° |
| C38 | C37 | C35 | O36 | 97.3° | 112.1° |
| C37 | C38 | H32 | H33 | 120.0° | 120.0° |
| C37 | C38 | H32 | H34 | 120.0° | 120.0° |
| C37 | C38 | H33 | H34 | 120.0° | 120.0° |
| C4 | N5 | C6 | H23 | 120.9° | 124.0° |
| C4 | N5 | C6 | C19 | 71.1° | 133.2° |
| C4 | N5 | C6 | C15 | 54.2° | 106.2° |
| C4 | N5 | C6 | H22 | 172.1° | 13.5° |
| N5 | C4 | H25 | H26 | 120.4° | 120.0° |
| N5 | C4 | C3 | H27 | 59.4° | 59.2° |
| N5 | C6 | C19 | C15 | 125.5° | 120.2° |
| N5 | C6 | C19 | H22 | 117.2° | 119.6° |
| N5 | C6 | C19 | C18 | 160.8° | 166.3° |
| N5 | C6 | C15 | H22 | 118.4° | 119.6° |
| N5 | C6 | C15 | C20 | 46.8° | 41.6° |
| N5 | C6 | C15 | C16 | 133.9° | 138.9° |
| N5 | C6 | C19 | H7 | 79.0° | 46.6° |
| N5 | C6 | C19 | H8 | 40.7° | 74.1° |
| C6 | N5 | C4 | H25 | 78.5° | 33.7° |
| C6 | N5 | C4 | H26 | 41.8° | 153.7° |
| C35 | C37 | O39 | H31 | 117.6° | 119.9° |
| C35 | C37 | O39 | C40 | 96.1° | 145.5° |
| C37 | C35 | N1 | H30 | 2.0° | 5.3° |
| C35 | C37 | C38 | H32 | 180.0° | 64.9° |
| C35 | C37 | C38 | H33 | 60.0° | 175.1° |
| C35 | C37 | C38 | H34 | 60.0° | 55.0° |
| O39 | C37 | C35 | O36 | 25.9° | 7.9° |
| O39 | C37 | C38 | H32 | 60.5° | 55.1° |
| O39 | C37 | C38 | H33 | 179.5° | 64.9° |
| O39 | C37 | C38 | H34 | 59.5° | 175.0° |
| C37 | O39 | C40 | H35 | 180.0° | 175.0° |
| C37 | O39 | C40 | H36 | 60.0° | 65.0° |
| C37 | O39 | C40 | H37 | 60.0° | 55.0° |
| C40 | O39 | C37 | H31 | 21.5° | 25.6° |
| O39 | C40 | H35 | H36 | 120.0° | 120.0° |
| O39 | C40 | H35 | H37 | 120.0° | 120.0° |
| O39 | C40 | H36 | H37 | 120.0° | 120.0° |
| O36 | C35 | N1 | H30 | 173.8° | 174.7° |
| O36 | C35 | C37 | H31 | 144.3° | 127.9° |
| O34 | C11 | C12 | C13 | 179.9° | 179.8° |
| C11 | O34 | C33 | H41 | 88.5° | 145.7° |
| C11 | O34 | C33 | H42 | 150.0° | 91.4° |
| O34 | C11 | C12 | H43 | 0.1° | 0.1° |
| C11 | C12 | C13 | H43 | 180.0° | 179.7° |
| C11 | C12 | C13 | H44 | 179.9° | 179.7° |
| C6 | C19 | C18 | H7 | 120.2° | 119.6° |
| C6 | C19 | C18 | H8 | 120.2° | 119.6° |
| C19 | C6 | C15 | H22 | 117.4° | 120.2° |
| C6 | C19 | C18 | C29 | 176.7° | 167.5° |
| C6 | C19 | C18 | C31 | 77.1° | 69.4° |
| C6 | C19 | C18 | O17 | 56.1° | 61.4° |
| C19 | C6 | C15 | C20 | 171.0° | 161.8° |
| C19 | C6 | C15 | C16 | 9.7° | 18.7° |
| C6 | C19 | H7 | H8 | 119.5° | 120.7° |
| C19 | C6 | N5 | H23 | 168.0° | 9.3° |
| C18 | C19 | C6 | C15 | 35.3° | 46.1° |
| C19 | C18 | C29 | C30 | 111.2° | 89.6° |
| C19 | C18 | C31 | C30 | 109.6° | 89.7° |
| C19 | C18 | C29 | C31 | 115.1° | 114.7° |
| C19 | C18 | C29 | O17 | 128.0° | 130.0° |
| C19 | C18 | C31 | O17 | 132.5° | 129.8° |
| C19 | C18 | O17 | C16 | 48.8° | 45.4° |
| C19 | C18 | C29 | H1 | 132.2° | 155.9° |
| C19 | C18 | C29 | H2 | 5.4° | 25.0° |
| C19 | C18 | C31 | H5 | 6.9° | 24.8° |
| C19 | C18 | C31 | H6 | 133.9° | 155.8° |
| C18 | C19 | H7 | H8 | 119.4° | 120.7° |
| C18 | C19 | C6 | H22 | 82.0° | 74.1° |
| C6 | C15 | C20 | C16 | 179.3° | 179.6° |
| C6 | C15 | C20 | C21 | 179.8° | 179.3° |
| C6 | C15 | C16 | O17 | 0.8° | 0.9° |
| C6 | C15 | C16 | N23 | 179.8° | 179.1° |
| C15 | C6 | C19 | H7 | 155.5° | 73.5° |
| C15 | C6 | C19 | H8 | 84.9° | 165.7° |
| C6 | C15 | C20 | H21 | 0.2° | 0.8° |
| C15 | C6 | N5 | H23 | 66.6° | 129.9° |
| C29 | C30 | C31 | H3 | 116.6° | 114.6° |
| C29 | C30 | C31 | H4 | 116.6° | 114.5° |
| C30 | C29 | C18 | H1 | 116.6° | 114.5° |
| C30 | C29 | C18 | H2 | 116.6° | 114.6° |
| C29 | C30 | C31 | C18 | 3.9° | 25.1° |
| C30 | C29 | C18 | O17 | 120.8° | 140.4° |
| C30 | C29 | H1 | H2 | 129.2° | 131.4° |
| C29 | C30 | H3 | H4 | 129.1° | 131.2° |
| C29 | C30 | C31 | H5 | 120.5° | 139.6° |
| C29 | C30 | C31 | H6 | 112.6° | 89.4° |
| C30 | C31 | C18 | H5 | 116.5° | 114.5° |
| C30 | C31 | C18 | H6 | 116.5° | 114.5° |
| C30 | C31 | C18 | O17 | 117.9° | 140.6° |
| C31 | C30 | C29 | H1 | 112.6° | 89.4° |
| C31 | C30 | C29 | H2 | 120.5° | 139.6° |
| C31 | C30 | H3 | H4 | 129.1° | 131.2° |
| C30 | C31 | H5 | H6 | 129.3° | 131.4° |
| C29 | C18 | C31 | O17 | 114.0° | 115.4° |
| C29 | C18 | O17 | C16 | 175.9° | 176.3° |
| C18 | C29 | H1 | H2 | 129.2° | 131.3° |
| C18 | C29 | C30 | H3 | 112.7° | 89.5° |
| C18 | C29 | C30 | H4 | 120.6° | 139.6° |
| C29 | C18 | C31 | H5 | 120.4° | 139.7° |
| C29 | C18 | C31 | H6 | 112.6° | 89.3° |
| C29 | C18 | C19 | H7 | 56.5° | 72.8° |
| C29 | C18 | C19 | H8 | 63.2° | 47.9° |
| C31 | C18 | O17 | C16 | 83.7° | 85.2° |
| C31 | C18 | C29 | H1 | 112.6° | 89.3° |
| C31 | C18 | C29 | H2 | 120.5° | 139.8° |
| C18 | C31 | C30 | H3 | 112.7° | 89.6° |
| C18 | C31 | C30 | H4 | 120.5° | 139.6° |
| C18 | C31 | H5 | H6 | 129.4° | 131.3° |
| C31 | C18 | C19 | H7 | 43.1° | 170.9° |
| C31 | C18 | C19 | H8 | 162.7° | 50.2° |
| C18 | O17 | C16 | C15 | 20.6° | 14.5° |
| C18 | O17 | C16 | N23 | 160.4° | 165.6° |
| O17 | C18 | C29 | H1 | 4.2° | 25.9° |
| O17 | C18 | C29 | H2 | 122.6° | 105.0° |
| O17 | C18 | C31 | H5 | 125.6° | 105.0° |
| O17 | C18 | C31 | H6 | 1.4° | 26.0° |
| O17 | C18 | C19 | H7 | 176.3° | 58.3° |
| O17 | C18 | C19 | H8 | 64.0° | 179.0° |
| C15 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C15 | C16 | O17 | 179.9° | 179.5° |
| C20 | C15 | C16 | N23 | 0.9° | 0.5° |
| C15 | C20 | C21 | C24 | 179.9° | 180.0° |
| C15 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C15 | C6 | H22 | 71.6° | 78.0° |
| C16 | C15 | C20 | C21 | 0.5° | 0.3° |
| C15 | C16 | O17 | N23 | 179.1° | 180.0° |
| C15 | C16 | N23 | C22 | 0.6° | 0.3° |
| C16 | C15 | C20 | H21 | 179.5° | 179.7° |
| C16 | C15 | C6 | H22 | 107.7° | 101.5° |
| C20 | C21 | C24 | C22 | 179.8° | 179.9° |
| C20 | C21 | C24 | C25 | 100.5° | 93.6° |
| C20 | C21 | C22 | N23 | 0.4° | 0.2° |
| C20 | C21 | C22 | H9 | 179.7° | 179.8° |
| C20 | C21 | C24 | H10 | 138.9° | 26.4° |
| C20 | C21 | C24 | H11 | 20.1° | 146.5° |
| O17 | C16 | N23 | C22 | 179.7° | 179.7° |
| C16 | N23 | C22 | C21 | 0.0° | 0.1° |
| C16 | N23 | C22 | H9 | 180.0° | 180.0° |
| C26 | C25 | C24 | C21 | 74.1° | 55.6° |
| C26 | C25 | C24 | C27 | 118.6° | 120.0° |
| C26 | C25 | C24 | C28 | 121.1° | 120.0° |
| C26 | C25 | C27 | C28 | 118.1° | 119.9° |
| C26 | C25 | C24 | H10 | 165.3° | 175.6° |
| C26 | C25 | C24 | H11 | 46.6° | 64.3° |
| C26 | C25 | C27 | H12 | 180.0° | 175.5° |
| C26 | C25 | C27 | H13 | 60.0° | 55.5° |
| C26 | C25 | C27 | H14 | 60.0° | 64.6° |
| C26 | C25 | C28 | H15 | 180.0° | 65.0° |
| C26 | C25 | C28 | H16 | 60.0° | 55.1° |
| C26 | C25 | C28 | H17 | 60.0° | 175.1° |
| C25 | C26 | H18 | H19 | 120.0° | 120.0° |
| C25 | C26 | H18 | H20 | 120.0° | 120.0° |
| C25 | C26 | H19 | H20 | 120.0° | 120.0° |
| C21 | C24 | C25 | H10 | 120.6° | 120.0° |
| C21 | C24 | C25 | H11 | 120.6° | 119.9° |
| C24 | C21 | C22 | N23 | 179.8° | 179.9° |
| C21 | C24 | C25 | C27 | 167.3° | 64.4° |
| C21 | C24 | C25 | C28 | 47.0° | 175.6° |
| C24 | C21 | C22 | H9 | 0.2° | 0.1° |
| C21 | C24 | H10 | H11 | 118.1° | 120.0° |
| C24 | C21 | C20 | H21 | 0.1° | 0.1° |
| C22 | C21 | C24 | C25 | 79.7° | 86.5° |
| C21 | C22 | N23 | H9 | 180.0° | 180.0° |
| C22 | C21 | C24 | H10 | 40.9° | 153.5° |
| C22 | C21 | C24 | H11 | 159.7° | 33.4° |
| C22 | C21 | C20 | H21 | 179.9° | 180.0° |
| C24 | C25 | C27 | C28 | 122.3° | 120.0° |
| C25 | C24 | H10 | H11 | 118.1° | 120.0° |
| C24 | C25 | C27 | H12 | 60.3° | 64.4° |
| C24 | C25 | C27 | H13 | 59.7° | 175.5° |
| C24 | C25 | C27 | H14 | 179.7° | 55.5° |
| C24 | C25 | C28 | H15 | 58.3° | 55.0° |
| C24 | C25 | C28 | H16 | 178.3° | 175.1° |
| C24 | C25 | C28 | H17 | 61.7° | 64.9° |
| C24 | C25 | C26 | H18 | 180.0° | 60.0° |
| C24 | C25 | C26 | H19 | 60.0° | 180.0° |
| C24 | C25 | C26 | H20 | 60.0° | 59.9° |
| C27 | C25 | C24 | H10 | 46.7° | 55.6° |
| C27 | C25 | C24 | H11 | 72.0° | 175.6° |
| C25 | C27 | H12 | H13 | 120.0° | 120.1° |
| C25 | C27 | H12 | H14 | 120.0° | 120.0° |
| C25 | C27 | H13 | H14 | 120.0° | 120.1° |
| C27 | C25 | C28 | H15 | 62.4° | 175.1° |
| C27 | C25 | C28 | H16 | 57.6° | 64.9° |
| C27 | C25 | C28 | H17 | 177.6° | 55.1° |
| C27 | C25 | C26 | H18 | 60.7° | 60.0° |
| C27 | C25 | C26 | H19 | 59.3° | 60.0° |
| C27 | C25 | C26 | H20 | 179.3° | 180.0° |
| C28 | C25 | C24 | H10 | 73.6° | 64.4° |
| C28 | C25 | C24 | H11 | 167.7° | 55.6° |
| C28 | C25 | C27 | H12 | 61.9° | 55.6° |
| C28 | C25 | C27 | H13 | 178.1° | 64.4° |
| C28 | C25 | C27 | H14 | 58.1° | 175.5° |
| C25 | C28 | H15 | H16 | 120.0° | 120.1° |
| C25 | C28 | H15 | H17 | 120.0° | 120.0° |
| C25 | C28 | H16 | H17 | 120.0° | 120.0° |
| C28 | C25 | C26 | H18 | 57.2° | 180.0° |
| C28 | C25 | C26 | H19 | 177.1° | 60.0° |
| C28 | C25 | C26 | H20 | 62.9° | 60.0° |
| H1 | C29 | C30 | H3 | 130.8° | 156.0° |
| H1 | C29 | C30 | H4 | 4.0° | 25.2° |
| H2 | C29 | C30 | H3 | 3.9° | 25.0° |
| H2 | C29 | C30 | H4 | 122.9° | 105.8° |
| H3 | C30 | C31 | H5 | 3.8° | 24.9° |
| H3 | C30 | C31 | H6 | 130.8° | 155.9° |
| H4 | C30 | C31 | H5 | 123.0° | 105.9° |
| H4 | C30 | C31 | H6 | 4.0° | 25.1° |
| H7 | C19 | C6 | H22 | 38.2° | 166.2° |
| H8 | C19 | C6 | H22 | 157.9° | 45.5° |
| H12 | C27 | H13 | H14 | 120.0° | 119.9° |
| H15 | C28 | H16 | H17 | 120.0° | 119.9° |
| H18 | C26 | H19 | H20 | 120.0° | 120.0° |
| H22 | C6 | N5 | H23 | 51.2° | 110.5° |
| H23 | N5 | C4 | H25 | 160.6° | 157.7° |
| H23 | N5 | C4 | H26 | 79.1° | 82.3° |
| H25 | C4 | C3 | H27 | 60.4° | 179.1° |
| H26 | C4 | C3 | H27 | 179.3° | 60.9° |
| H27 | C3 | O14 | H28 | 61.9° | 180.0° |
| H27 | C3 | C2 | H29 | 178.0° | 176.0° |
| H29 | C2 | N1 | H30 | 165.4° | 0.1° |
| H29 | C2 | C7 | H38 | 65.4° | 175.0° |
| H29 | C2 | C7 | H39 | 174.2° | 65.0° |
| H31 | C37 | C38 | H32 | 61.5° | 175.1° |
| H31 | C37 | C38 | H33 | 58.4° | 55.1° |
| H31 | C37 | C38 | H34 | 178.4° | 65.0° |
| H32 | C38 | H33 | H34 | 120.0° | 120.0° |
| H35 | C40 | H36 | H37 | 120.0° | 120.0° |
| H43 | C12 | C13 | H44 | 0.1° | 0.0° |
