D8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| C39 | N40 | sing | 1.46Å | 1.46Å | |
| O24 | C23 | doub | 1.21Å | 1.26Å | |
| C38 | C37 | sing | 1.54Å | 1.54Å | |
| C23 | N40 | sing | 1.35Å | 1.37Å | |
| C23 | C15 | sing | 1.51Å | 1.51Å | |
| N40 | C36 | sing | 1.47Å | 1.49Å | |
| C37 | C36 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.53Å | 1.56Å | |
| C36 | C34 | sing | 1.51Å | 1.54Å | |
| O30 | N29 | sing | 1.21Å | 1.43Å | Aromatic |
| O30 | C31 | sing | 1.34Å | 1.33Å | Aromatic |
| N29 | C27 | doub | 1.31Å | 1.28Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | O41 | sing | 1.43Å | 1.43Å | |
| C33 | C31 | sing | 1.51Å | 1.50Å | |
| C12 | N10 | sing | 1.48Å | 1.48Å | |
| C34 | N22 | sing | 1.37Å | 1.39Å | |
| C34 | O35 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | doub | 1.35Å | 1.32Å | Aromatic |
| N22 | C8 | sing | 1.48Å | 1.51Å | |
| O5 | C4 | doub | 1.21Å | 1.23Å | |
| N10 | C9 | sing | 1.36Å | 1.36Å | |
| C27 | C32 | sing | 1.42Å | 1.47Å | Aromatic |
| C27 | C26 | sing | 1.48Å | 1.48Å | |
| N7 | C26 | sing | 1.35Å | 1.36Å | |
| N7 | C6 | sing | 1.47Å | 1.46Å | |
| C8 | C6 | sing | 1.53Å | 1.58Å | |
| C26 | O28 | doub | 1.21Å | 1.23Å | |
| C9 | O11 | doub | 1.21Å | 1.25Å | |
| C9 | C2 | sing | 1.51Å | 1.51Å | |
| C4 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | N1 | sing | 1.36Å | 1.37Å | |
| C2 | N1 | sing | 1.48Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C16 | sing | 1.51Å | 1.53Å | |
| C21 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | F25 | sing | 1.35Å | 1.33Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.98Å | 1.00Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| N10 | H20 | sing | 0.97Å | 1.00Å | |
| N22 | H21 | sing | 0.97Å | 1.00Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| O41 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C39 | N40 | 101.6° | 108.2° |
| C39 | C38 | C37 | 104.4° | 105.8° |
| C39 | C38 | H29 | 110.7° | 110.2° |
| C39 | C38 | H30 | 110.7° | 110.3° |
| C38 | C39 | H31 | 111.4° | 109.4° |
| C38 | C39 | H32 | 111.4° | 109.9° |
| C39 | N40 | C23 | 121.5° | 125.8° |
| C39 | N40 | C36 | 115.3° | 108.9° |
| N40 | C39 | H31 | 111.4° | 109.7° |
| N40 | C39 | H32 | 111.4° | 110.0° |
| O24 | C23 | N40 | 124.8° | 120.1° |
| O24 | C23 | C15 | 120.4° | 119.7° |
| C38 | C37 | C36 | 102.6° | 106.3° |
| C38 | C37 | H27 | 111.2° | 110.1° |
| C38 | C37 | H28 | 111.2° | 110.2° |
| C37 | C38 | H29 | 110.8° | 110.0° |
| C37 | C38 | H30 | 110.7° | 110.2° |
| N40 | C23 | C15 | 114.8° | 120.2° |
| C23 | N40 | C36 | 123.2° | 125.3° |
| C23 | C15 | C14 | 116.6° | 109.5° |
| C23 | C15 | H9 | 107.7° | 109.5° |
| C23 | C15 | H10 | 107.7° | 109.3° |
| N40 | C36 | C37 | 100.3° | 107.6° |
| N40 | C36 | C34 | 123.8° | 110.3° |
| N40 | C36 | H26 | 106.3° | 109.5° |
| C37 | C36 | C34 | 113.6° | 110.3° |
| C37 | C36 | H26 | 105.7° | 109.9° |
| C36 | C37 | H27 | 111.2° | 110.0° |
| C36 | C37 | H28 | 111.2° | 110.5° |
| C15 | C14 | C12 | 107.6° | 110.0° |
| C15 | C14 | H7 | 109.9° | 109.3° |
| C15 | C14 | H8 | 109.9° | 109.4° |
| C14 | C15 | H9 | 107.6° | 109.4° |
| C14 | C15 | H10 | 107.7° | 109.6° |
| C14 | C12 | C13 | 110.2° | 109.6° |
| C14 | C12 | N10 | 110.3° | 108.1° |
| C14 | C12 | H4 | 106.9° | 109.8° |
| C12 | C14 | H7 | 109.9° | 109.3° |
| C12 | C14 | H8 | 109.9° | 109.4° |
| C36 | C34 | N22 | 128.0° | 119.0° |
| C36 | C34 | O35 | 109.9° | 120.4° |
| C34 | C36 | H26 | 105.9° | 109.3° |
| N29 | O30 | C31 | 106.4° | 111.8° |
| O30 | N29 | C27 | 105.6° | 111.4° |
| O30 | C31 | C33 | 119.1° | 126.6° |
| O30 | C31 | C32 | 114.6° | 106.7° |
| N29 | C27 | C32 | 112.6° | 106.2° |
| N29 | C27 | C26 | 123.2° | 126.9° |
| C12 | C13 | O41 | 110.6° | 109.5° |
| C13 | C12 | N10 | 113.9° | 109.6° |
| C13 | C12 | H4 | 107.4° | 109.7° |
| C12 | C13 | H5 | 109.2° | 109.5° |
| C12 | C13 | H6 | 109.2° | 109.5° |
| O41 | C13 | H5 | 109.2° | 109.4° |
| O41 | C13 | H6 | 109.2° | 109.5° |
| C13 | O41 | H33 | 109.5° | 114.0° |
| C33 | C31 | C32 | 126.3° | 126.7° |
| C31 | C33 | H23 | 109.5° | 109.5° |
| C31 | C33 | H24 | 109.5° | 109.5° |
| C31 | C33 | H25 | 109.5° | 109.5° |
| C12 | N10 | C9 | 122.5° | 117.0° |
| N10 | C12 | H4 | 107.9° | 110.0° |
| C12 | N10 | H20 | 118.8° | 121.6° |
| N22 | C34 | O35 | 122.1° | 120.6° |
| C34 | N22 | C8 | 124.9° | 116.6° |
| C34 | N22 | H21 | 117.5° | 121.3° |
| C31 | C32 | C27 | 100.7° | 103.9° |
| C31 | C32 | H22 | 129.6° | 128.1° |
| N22 | C8 | C6 | 115.2° | 110.0° |
| N22 | C8 | H18 | 108.0° | 109.2° |
| N22 | C8 | H19 | 108.0° | 109.8° |
| C8 | N22 | H21 | 117.6° | 122.1° |
| O5 | C4 | C6 | 116.5° | 119.7° |
| O5 | C4 | N1 | 120.7° | 120.9° |
| N10 | C9 | O11 | 122.8° | 121.2° |
| N10 | C9 | C2 | 123.0° | 118.0° |
| C9 | N10 | H20 | 118.8° | 121.5° |
| C32 | C27 | C26 | 124.1° | 126.9° |
| C27 | C32 | H22 | 129.6° | 128.1° |
| C27 | C26 | N7 | 118.4° | 120.0° |
| C27 | C26 | O28 | 117.1° | 120.0° |
| C26 | N7 | C6 | 122.9° | 120.0° |
| N7 | C26 | O28 | 124.5° | 120.0° |
| C26 | N7 | H17 | 118.6° | 120.0° |
| N7 | C6 | C8 | 111.5° | 109.7° |
| N7 | C6 | C4 | 106.1° | 109.4° |
| N7 | C6 | H16 | 110.9° | 109.2° |
| C6 | N7 | H17 | 118.5° | 120.0° |
| C8 | C6 | C4 | 109.1° | 110.2° |
| C8 | C6 | H16 | 109.2° | 109.2° |
| C6 | C8 | H18 | 108.0° | 109.4° |
| C6 | C8 | H19 | 108.0° | 109.4° |
| O11 | C9 | C2 | 114.2° | 120.7° |
| C9 | C2 | N1 | 106.1° | 108.4° |
| C9 | C2 | C3 | 108.2° | 110.3° |
| C9 | C2 | H1 | 108.1° | 109.2° |
| C6 | C4 | N1 | 122.8° | 119.3° |
| C4 | C6 | H16 | 110.0° | 109.0° |
| C4 | N1 | C2 | 126.3° | 117.2° |
| C4 | N1 | H15 | 116.9° | 121.3° |
| N1 | C2 | C3 | 117.9° | 110.5° |
| N1 | C2 | H1 | 108.6° | 109.4° |
| C2 | N1 | H15 | 116.9° | 121.5° |
| C2 | C3 | C16 | 114.7° | 109.5° |
| C3 | C2 | H1 | 107.6° | 109.1° |
| C2 | C3 | H2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| C3 | C16 | C21 | 122.1° | 120.0° |
| C3 | C16 | C17 | 117.4° | 120.0° |
| C16 | C3 | H2 | 108.2° | 109.5° |
| C16 | C3 | H3 | 108.2° | 109.5° |
| C16 | C21 | C20 | 119.2° | 120.0° |
| C21 | C16 | C17 | 120.5° | 120.1° |
| C16 | C21 | H14 | 120.4° | 120.0° |
| C21 | C20 | C19 | 120.6° | 119.9° |
| C21 | C20 | H13 | 119.7° | 120.0° |
| C20 | C21 | H14 | 120.4° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C16 | C17 | H11 | 119.9° | 120.0° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C20 | C19 | F25 | 119.7° | 120.0° |
| C19 | C20 | H13 | 119.7° | 120.1° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C18 | C17 | H11 | 119.9° | 120.0° |
| C17 | C18 | H12 | 120.2° | 120.0° |
| C18 | C19 | F25 | 120.3° | 120.0° |
| C19 | C18 | H12 | 120.2° | 120.0° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H18 | C8 | H19 | 109.5° | 108.9° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H25 | 109.5° | 109.4° |
| H24 | C33 | H25 | 109.5° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.8° |
| H29 | C38 | H30 | 109.4° | 110.2° |
| H31 | C39 | H32 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C39 | N40 | H31 | 118.7° | 119.3° |
| C38 | C39 | N40 | H32 | 118.7° | 120.0° |
| C39 | C38 | C37 | H29 | 119.2° | 119.0° |
| C39 | C38 | C37 | H30 | 119.2° | 119.3° |
| C38 | C39 | N40 | C23 | 176.2° | 163.6° |
| C38 | C39 | N40 | C36 | 6.0° | 16.8° |
| C39 | C38 | C37 | C36 | 40.0° | 2.9° |
| C39 | C38 | C37 | H27 | 158.9° | 116.2° |
| C39 | C38 | C37 | H28 | 78.9° | 122.6° |
| C39 | C38 | H29 | H30 | 122.4° | 122.0° |
| C38 | C39 | H31 | H32 | 123.6° | 120.5° |
| C39 | N40 | C23 | O24 | 0.1° | 169.6° |
| N40 | C39 | C38 | C37 | 28.3° | 8.2° |
| C39 | N40 | C23 | C36 | 177.6° | 179.6° |
| C39 | N40 | C23 | C15 | 179.7° | 9.9° |
| C39 | N40 | C36 | C37 | 18.2° | 18.6° |
| C39 | N40 | C36 | C34 | 109.4° | 101.7° |
| C39 | N40 | C36 | H26 | 128.0° | 138.0° |
| N40 | C39 | C38 | H29 | 90.9° | 110.7° |
| N40 | C39 | C38 | H30 | 147.5° | 127.5° |
| N40 | C39 | H31 | H32 | 123.7° | 120.9° |
| O24 | C23 | N40 | C15 | 179.8° | 179.5° |
| O24 | C23 | N40 | C36 | 177.7° | 10.9° |
| O24 | C23 | C15 | C14 | 9.6° | 90.5° |
| O24 | C23 | C15 | H9 | 111.4° | 149.6° |
| O24 | C23 | C15 | H10 | 130.7° | 29.7° |
| C38 | C37 | C36 | N40 | 34.5° | 13.0° |
| C38 | C37 | C36 | H27 | 118.9° | 119.1° |
| C38 | C37 | C36 | H28 | 118.9° | 119.5° |
| C38 | C37 | C36 | C34 | 99.6° | 107.4° |
| C38 | C37 | C36 | H26 | 144.8° | 132.1° |
| C38 | C37 | H27 | H28 | 123.2° | 121.5° |
| C37 | C38 | H29 | H30 | 122.4° | 121.7° |
| C37 | C38 | C39 | H31 | 90.4° | 127.7° |
| C37 | C38 | C39 | H32 | 147.0° | 111.9° |
| C23 | N40 | C36 | C37 | 159.5° | 161.8° |
| N40 | C23 | C15 | C14 | 170.2° | 90.1° |
| C23 | N40 | C36 | C34 | 72.9° | 77.9° |
| N40 | C23 | C15 | H9 | 68.8° | 29.9° |
| N40 | C23 | C15 | H10 | 49.1° | 149.8° |
| C23 | N40 | C36 | H26 | 49.7° | 42.4° |
| C23 | N40 | C39 | H31 | 65.1° | 44.3° |
| C23 | N40 | C39 | H32 | 57.5° | 76.4° |
| C15 | C23 | N40 | C36 | 2.2° | 169.7° |
| C23 | C15 | C14 | H9 | 121.0° | 120.0° |
| C23 | C15 | C14 | H10 | 121.1° | 119.9° |
| C23 | C15 | C14 | C12 | 172.9° | 104.7° |
| C23 | C15 | C14 | H7 | 67.4° | 15.4° |
| C23 | C15 | C14 | H8 | 53.2° | 135.1° |
| C23 | C15 | H9 | H10 | 116.8° | 119.8° |
| N40 | C36 | C37 | C34 | 134.1° | 120.3° |
| N40 | C36 | C37 | H26 | 110.3° | 119.1° |
| N40 | C36 | C34 | H26 | 122.8° | 120.4° |
| N40 | C36 | C34 | N22 | 24.6° | 59.6° |
| N40 | C36 | C34 | O35 | 154.9° | 121.3° |
| N40 | C36 | C37 | H27 | 153.4° | 106.2° |
| N40 | C36 | C37 | H28 | 84.4° | 132.5° |
| C36 | N40 | C39 | H31 | 112.7° | 136.1° |
| C36 | N40 | C39 | H32 | 124.7° | 103.2° |
| C37 | C36 | C34 | H26 | 115.5° | 121.0° |
| C37 | C36 | C34 | N22 | 97.2° | 178.3° |
| C37 | C36 | C34 | O35 | 83.3° | 2.6° |
| C36 | C37 | H27 | H28 | 123.2° | 121.8° |
| C36 | C37 | C38 | H29 | 79.2° | 121.9° |
| C36 | C37 | C38 | H30 | 159.2° | 116.4° |
| C15 | C14 | C12 | H7 | 119.7° | 120.0° |
| C15 | C14 | C12 | H8 | 119.7° | 120.2° |
| C15 | C14 | C12 | C13 | 151.0° | 101.7° |
| C15 | C14 | C12 | N10 | 82.3° | 138.9° |
| C15 | C14 | C12 | H4 | 34.7° | 18.9° |
| C15 | C14 | H7 | H8 | 120.8° | 119.8° |
| C14 | C15 | H9 | H10 | 116.7° | 120.1° |
| C14 | C12 | C13 | N10 | 124.5° | 118.5° |
| C14 | C12 | C13 | H4 | 116.0° | 120.6° |
| C14 | C12 | C13 | O41 | 178.3° | 176.4° |
| C14 | C12 | N10 | H4 | 116.4° | 119.9° |
| C14 | C12 | N10 | C9 | 107.1° | 130.9° |
| C14 | C12 | C13 | H5 | 61.6° | 56.5° |
| C14 | C12 | C13 | H6 | 58.1° | 63.5° |
| C12 | C14 | H7 | H8 | 120.9° | 119.8° |
| C12 | C14 | C15 | H9 | 51.9° | 135.3° |
| C12 | C14 | C15 | H10 | 66.0° | 15.3° |
| C14 | C12 | N10 | H20 | 72.9° | 49.2° |
| C36 | C34 | N22 | O35 | 179.5° | 179.0° |
| C36 | C34 | N22 | C8 | 179.4° | 170.1° |
| C36 | C34 | N22 | H21 | 0.5° | 9.7° |
| C34 | C36 | C37 | H27 | 19.3° | 133.5° |
| C34 | C36 | C37 | H28 | 141.5° | 12.1° |
| N29 | O30 | C31 | C33 | 178.6° | 180.0° |
| N29 | O30 | C31 | C32 | 0.7° | 0.0° |
| O30 | N29 | C27 | C32 | 2.5° | 0.0° |
| O30 | N29 | C27 | C26 | 179.4° | 179.8° |
| C31 | O30 | N29 | C27 | 2.0° | 0.0° |
| O30 | C31 | C33 | C32 | 179.2° | 180.0° |
| O30 | C31 | C32 | C27 | 0.7° | 0.0° |
| O30 | C31 | C32 | H22 | 179.3° | 179.8° |
| O30 | C31 | C33 | H23 | 0.0° | 0.0° |
| O30 | C31 | C33 | H24 | 120.0° | 120.0° |
| O30 | C31 | C33 | H25 | 120.0° | 120.0° |
| N29 | C27 | C32 | C31 | 2.1° | 0.0° |
| N29 | C27 | C32 | C26 | 176.8° | 179.7° |
| N29 | C27 | C26 | N7 | 7.3° | 0.3° |
| N29 | C27 | C26 | O28 | 172.7° | 179.7° |
| N29 | C27 | C32 | H22 | 177.9° | 179.8° |
| C12 | C13 | O41 | H5 | 120.2° | 119.9° |
| C12 | C13 | O41 | H6 | 120.2° | 120.1° |
| C13 | C12 | N10 | H4 | 119.1° | 120.7° |
| C13 | C12 | N10 | C9 | 128.4° | 109.7° |
| C12 | C13 | H5 | H6 | 119.5° | 120.0° |
| C13 | C12 | C14 | H7 | 31.3° | 138.3° |
| C13 | C12 | C14 | H8 | 89.2° | 18.5° |
| C13 | C12 | N10 | H20 | 51.6° | 70.2° |
| C12 | C13 | O41 | H33 | 180.0° | 180.0° |
| O41 | C13 | C12 | N10 | 53.7° | 65.0° |
| O41 | C13 | C12 | H4 | 65.7° | 55.8° |
| O41 | C13 | H5 | H6 | 119.5° | 120.0° |
| C33 | C31 | C32 | C27 | 180.0° | 180.0° |
| C33 | C31 | C32 | H22 | 0.0° | 0.2° |
| C31 | C33 | H23 | H24 | 120.0° | 120.1° |
| C31 | C33 | H23 | H25 | 120.0° | 120.0° |
| C31 | C33 | H24 | H25 | 120.0° | 120.0° |
| C12 | N10 | C9 | H20 | 180.0° | 179.9° |
| C12 | N10 | C9 | O11 | 0.7° | 2.5° |
| C12 | N10 | C9 | C2 | 179.1° | 177.3° |
| N10 | C12 | C13 | H5 | 173.9° | 175.1° |
| N10 | C12 | C13 | H6 | 66.4° | 55.1° |
| N10 | C12 | C14 | H7 | 157.9° | 18.9° |
| N10 | C12 | C14 | H8 | 37.4° | 100.9° |
| C34 | N22 | C8 | H21 | 180.0° | 179.8° |
| C34 | N22 | C8 | C6 | 139.6° | 123.0° |
| C34 | N22 | C8 | H18 | 99.6° | 116.8° |
| C34 | N22 | C8 | H19 | 18.8° | 2.6° |
| N22 | C34 | C36 | H26 | 147.3° | 60.7° |
| O35 | C34 | N22 | C8 | 1.1° | 9.0° |
| O35 | C34 | N22 | H21 | 179.0° | 171.2° |
| O35 | C34 | C36 | H26 | 32.2° | 118.3° |
| C31 | C32 | C27 | H22 | 180.0° | 179.8° |
| C31 | C32 | C27 | C26 | 178.9° | 179.8° |
| C32 | C31 | C33 | H23 | 179.3° | 180.0° |
| C32 | C31 | C33 | H24 | 60.8° | 60.0° |
| C32 | C31 | C33 | H25 | 59.3° | 60.0° |
| N22 | C8 | C6 | N7 | 62.3° | 59.8° |
| N22 | C8 | C6 | H18 | 120.8° | 120.0° |
| N22 | C8 | C6 | H19 | 120.8° | 120.7° |
| N22 | C8 | C6 | C4 | 54.6° | 60.7° |
| N22 | C8 | C6 | H16 | 174.9° | 179.5° |
| N22 | C8 | H18 | H19 | 117.4° | 119.9° |
| O5 | C4 | C6 | N7 | 42.9° | 109.8° |
| O5 | C4 | C6 | C8 | 77.3° | 10.9° |
| O5 | C4 | C6 | N1 | 177.5° | 179.5° |
| O5 | C4 | N1 | C2 | 3.1° | 7.2° |
| O5 | C4 | N1 | H15 | 176.8° | 172.9° |
| O5 | C4 | C6 | H16 | 162.9° | 130.7° |
| N10 | C9 | O11 | C2 | 178.5° | 179.7° |
| N10 | C9 | C2 | N1 | 135.4° | 50.1° |
| N10 | C9 | C2 | C3 | 97.1° | 171.2° |
| N10 | C9 | C2 | H1 | 19.0° | 69.0° |
| C9 | N10 | C12 | H4 | 9.3° | 11.0° |
| C32 | C27 | C26 | N7 | 169.1° | 179.9° |
| C32 | C27 | C26 | O28 | 10.8° | 0.0° |
| C27 | C26 | N7 | O28 | 179.9° | 179.9° |
| C27 | C26 | N7 | C6 | 178.0° | 180.0° |
| C27 | C26 | N7 | H17 | 2.0° | 0.0° |
| C26 | C27 | C32 | H22 | 1.2° | 0.0° |
| C26 | N7 | C6 | H17 | 180.0° | 180.0° |
| C26 | N7 | C6 | C8 | 133.4° | 154.0° |
| C26 | N7 | C6 | C4 | 107.9° | 85.0° |
| C26 | N7 | C6 | H16 | 11.5° | 34.3° |
| N7 | C6 | C8 | C4 | 116.8° | 120.5° |
| N7 | C6 | C8 | H16 | 122.9° | 119.7° |
| C6 | N7 | C26 | O28 | 1.9° | 0.0° |
| N7 | C6 | C4 | H16 | 120.0° | 119.4° |
| N7 | C6 | C4 | N1 | 139.6° | 70.7° |
| N7 | C6 | C8 | H18 | 58.6° | 179.9° |
| N7 | C6 | C8 | H19 | 176.9° | 60.9° |
| C8 | C6 | C4 | H16 | 119.8° | 119.9° |
| C8 | C6 | C4 | N1 | 100.2° | 168.6° |
| C8 | C6 | N7 | H17 | 46.6° | 26.0° |
| C6 | C8 | H18 | H19 | 117.4° | 119.6° |
| C6 | C8 | N22 | H21 | 40.5° | 57.2° |
| O28 | C26 | N7 | H17 | 178.1° | 180.0° |
| O11 | C9 | C2 | N1 | 46.1° | 129.6° |
| O11 | C9 | C2 | C3 | 81.4° | 8.5° |
| O11 | C9 | C2 | H1 | 162.4° | 111.3° |
| O11 | C9 | N10 | H20 | 179.3° | 177.5° |
| C9 | C2 | N1 | C4 | 57.6° | 45.8° |
| C9 | C2 | N1 | C3 | 121.4° | 120.9° |
| C9 | C2 | N1 | H1 | 116.0° | 118.9° |
| C9 | C2 | C3 | H1 | 116.5° | 119.9° |
| C9 | C2 | C3 | C16 | 159.4° | 175.2° |
| C9 | C2 | C3 | H2 | 79.9° | 64.8° |
| C9 | C2 | C3 | H3 | 38.6° | 55.2° |
| C9 | C2 | N1 | H15 | 122.4° | 134.1° |
| C2 | C9 | N10 | H20 | 0.9° | 2.8° |
| C6 | C4 | N1 | C2 | 174.3° | 173.3° |
| C6 | C4 | N1 | H15 | 5.7° | 6.6° |
| C4 | C6 | N7 | H17 | 72.1° | 95.0° |
| C4 | C6 | C8 | H18 | 175.4° | 59.3° |
| C4 | C6 | C8 | H19 | 66.3° | 178.6° |
| C4 | N1 | C2 | H15 | 180.0° | 179.9° |
| C4 | N1 | C2 | C3 | 179.0° | 75.1° |
| C4 | N1 | C2 | H1 | 58.4° | 164.8° |
| N1 | C4 | C6 | H16 | 19.5° | 48.8° |
| N1 | C2 | C3 | H1 | 123.1° | 120.3° |
| N1 | C2 | C3 | C16 | 80.3° | 65.0° |
| N1 | C2 | C3 | H2 | 40.5° | 55.0° |
| N1 | C2 | C3 | H3 | 159.0° | 175.0° |
| C2 | C3 | C16 | H2 | 120.7° | 120.0° |
| C2 | C3 | C16 | H3 | 120.8° | 120.1° |
| C2 | C3 | C16 | C21 | 47.5° | 90.3° |
| C2 | C3 | C16 | C17 | 132.8° | 90.0° |
| C2 | C3 | H2 | H3 | 117.6° | 120.0° |
| C3 | C2 | N1 | H15 | 1.0° | 105.0° |
| C3 | C16 | C21 | C17 | 179.7° | 179.7° |
| C3 | C16 | C21 | C20 | 180.0° | 179.7° |
| C3 | C16 | C17 | C18 | 179.2° | 180.0° |
| C16 | C3 | C2 | H1 | 42.9° | 55.4° |
| C16 | C3 | H2 | H3 | 117.7° | 120.0° |
| C3 | C16 | C17 | H11 | 0.8° | 0.0° |
| C3 | C16 | C21 | H14 | 0.0° | 0.0° |
| C16 | C21 | C20 | H14 | 180.0° | 179.7° |
| C16 | C21 | C20 | C19 | 0.8° | 0.5° |
| C21 | C16 | C17 | C18 | 1.1° | 0.2° |
| C21 | C16 | C3 | H2 | 168.3° | 149.7° |
| C21 | C16 | C3 | H3 | 73.2° | 29.8° |
| C21 | C16 | C17 | H11 | 178.9° | 179.8° |
| C16 | C21 | C20 | H13 | 179.2° | 179.8° |
| C20 | C21 | C16 | C17 | 0.3° | 0.5° |
| C21 | C20 | C19 | H13 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 1.2° | 0.2° |
| C21 | C20 | C19 | F25 | 178.8° | 179.7° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C17 | C16 | C3 | H2 | 12.0° | 30.0° |
| C17 | C16 | C3 | H3 | 106.5° | 150.0° |
| C16 | C17 | C18 | H12 | 179.3° | 180.0° |
| C17 | C16 | C21 | H14 | 179.7° | 179.8° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | F25 | 180.0° | 180.0° |
| C20 | C19 | C18 | H12 | 179.5° | 180.0° |
| C19 | C20 | C21 | H14 | 179.2° | 179.8° |
| C17 | C18 | C19 | H12 | 180.0° | 179.9° |
| C17 | C18 | C19 | F25 | 179.5° | 180.0° |
| C19 | C18 | C17 | H11 | 179.3° | 179.9° |
| C18 | C19 | C20 | H13 | 178.8° | 180.0° |
| F25 | C19 | C18 | H12 | 0.5° | 0.1° |
| F25 | C19 | C20 | H13 | 1.2° | 0.0° |
| H1 | C2 | C3 | H2 | 163.6° | 175.4° |
| H1 | C2 | C3 | H3 | 77.9° | 64.7° |
| H1 | C2 | N1 | H15 | 121.6° | 15.1° |
| H4 | C12 | C13 | H5 | 54.5° | 64.1° |
| H4 | C12 | C13 | H6 | 174.1° | 175.9° |
| H4 | C12 | C14 | H7 | 85.0° | 101.1° |
| H4 | C12 | C14 | H8 | 154.4° | 139.1° |
| H4 | C12 | N10 | H20 | 170.7° | 169.1° |
| H5 | C13 | O41 | H33 | 59.9° | 60.1° |
| H6 | C13 | O41 | H33 | 59.8° | 59.9° |
| H7 | C14 | C15 | H9 | 171.6° | 104.6° |
| H7 | C14 | C15 | H10 | 53.7° | 135.3° |
| H8 | C14 | C15 | H9 | 67.9° | 15.1° |
| H8 | C14 | C15 | H10 | 174.3° | 104.9° |
| H11 | C17 | C18 | H12 | 0.7° | 0.0° |
| H13 | C20 | C21 | H14 | 0.8° | 0.0° |
| H16 | C6 | N7 | H17 | 168.4° | 145.7° |
| H16 | C6 | C8 | H18 | 64.3° | 60.5° |
| H16 | C6 | C8 | H19 | 54.0° | 58.8° |
| H18 | C8 | N22 | H21 | 80.4° | 63.0° |
| H19 | C8 | N22 | H21 | 161.3° | 177.6° |
| H23 | C33 | H24 | H25 | 120.0° | 119.9° |
| H26 | C36 | C37 | H27 | 96.3° | 12.9° |
| H26 | C36 | C37 | H28 | 25.9° | 108.4° |
| H27 | C37 | C38 | H29 | 39.8° | 2.9° |
| H27 | C37 | C38 | H30 | 81.9° | 124.5° |
| H28 | C37 | C38 | H29 | 161.9° | 118.4° |
| H28 | C37 | C38 | H30 | 40.3° | 3.3° |
| H29 | C38 | C39 | H31 | 150.3° | 8.8° |
| H29 | C38 | C39 | H32 | 27.8° | 129.2° |
| H30 | C38 | C39 | H31 | 28.8° | 113.1° |
| H30 | C38 | C39 | H32 | 93.8° | 7.3° |
