E51
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C66 | C63 | sing | 1.53Å | 1.52Å | |
| C63 | C60 | sing | 1.53Å | 1.54Å | |
| C60 | C57 | sing | 1.53Å | 1.51Å | |
| C57 | N55 | sing | 1.47Å | 1.48Å | |
| N55 | C53 | sing | 1.35Å | 1.33Å | |
| O54 | C53 | doub | 1.21Å | 1.23Å | |
| C53 | C47 | sing | 1.51Å | 1.52Å | |
| C49 | C47 | sing | 1.53Å | 1.54Å | |
| C47 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C40 | sing | 1.53Å | 1.52Å | |
| O70 | C7 | doub | 1.21Å | 1.25Å | |
| C40 | C10 | sing | 1.53Å | 1.52Å | |
| C40 | O42 | sing | 1.43Å | 1.43Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | N8 | sing | 1.48Å | 1.46Å | |
| C36 | C15 | sing | 1.53Å | 1.53Å | |
| C7 | N8 | sing | 1.36Å | 1.34Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C71 | C5 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C5 | C2 | sing | 1.53Å | 1.52Å | |
| C17 | C20 | sing | 1.53Å | 1.57Å | |
| C2 | S1 | sing | 1.81Å | 1.79Å | |
| C20 | C23 | sing | 1.51Å | 1.51Å | |
| O75 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | O76 | doub | 1.42Å | 1.44Å | |
| S1 | C33 | sing | 1.81Å | 1.81Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C44 | H22 | sing | 1.09Å | 1.10Å | |
| C44 | H23 | sing | 1.09Å | 1.10Å | |
| C47 | H24 | sing | 1.09Å | 1.10Å | |
| C49 | H25 | sing | 1.09Å | 1.10Å | |
| C49 | H26 | sing | 1.09Å | 1.10Å | |
| C49 | H27 | sing | 1.09Å | 1.10Å | |
| C57 | H28 | sing | 1.09Å | 1.10Å | |
| C57 | H29 | sing | 1.09Å | 1.10Å | |
| C60 | H30 | sing | 1.09Å | 1.10Å | |
| C60 | H31 | sing | 1.09Å | 1.10Å | |
| C63 | H32 | sing | 1.09Å | 1.10Å | |
| C63 | H33 | sing | 1.09Å | 1.10Å | |
| C66 | H34 | sing | 1.09Å | 1.10Å | |
| C66 | H35 | sing | 1.09Å | 1.10Å | |
| C66 | H36 | sing | 1.09Å | 1.10Å | |
| C71 | H37 | sing | 1.09Å | 1.10Å | |
| C71 | H38 | sing | 1.09Å | 1.10Å | |
| C71 | H39 | sing | 1.09Å | 1.10Å | |
| N55 | H40 | sing | 0.97Å | 1.00Å | |
| N8 | H41 | sing | 0.97Å | 1.00Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C66 | C63 | C60 | 114.1° | 109.5° |
| C66 | C63 | H32 | 108.3° | 109.5° |
| C66 | C63 | H33 | 108.3° | 109.5° |
| C63 | C66 | H34 | 109.5° | 109.4° |
| C63 | C66 | H35 | 109.4° | 109.5° |
| C63 | C66 | H36 | 109.5° | 109.5° |
| C63 | C60 | C57 | 114.9° | 109.5° |
| C63 | C60 | H30 | 108.1° | 109.5° |
| C63 | C60 | H31 | 108.1° | 109.4° |
| C60 | C63 | H32 | 108.3° | 109.5° |
| C60 | C63 | H33 | 108.3° | 109.4° |
| C60 | C57 | N55 | 111.9° | 109.5° |
| C60 | C57 | H28 | 108.9° | 109.5° |
| C60 | C57 | H29 | 108.8° | 109.5° |
| C57 | C60 | H30 | 108.1° | 109.5° |
| C57 | C60 | H31 | 108.1° | 109.5° |
| C57 | N55 | C53 | 122.4° | 120.0° |
| N55 | C57 | H28 | 108.9° | 109.5° |
| N55 | C57 | H29 | 108.9° | 109.5° |
| C57 | N55 | H40 | 118.8° | 120.0° |
| N55 | C53 | O54 | 122.9° | 120.0° |
| N55 | C53 | C47 | 116.9° | 120.0° |
| C53 | N55 | H40 | 118.8° | 120.0° |
| O54 | C53 | C47 | 120.2° | 120.0° |
| C53 | C47 | C49 | 107.9° | 109.5° |
| C53 | C47 | C44 | 111.3° | 109.5° |
| C53 | C47 | H24 | 109.1° | 109.5° |
| C49 | C47 | C44 | 110.5° | 109.5° |
| C49 | C47 | H24 | 108.8° | 109.5° |
| C47 | C49 | H25 | 109.5° | 109.5° |
| C47 | C49 | H26 | 109.5° | 109.5° |
| C47 | C49 | H27 | 109.5° | 109.5° |
| C47 | C44 | C40 | 113.1° | 109.5° |
| C47 | C44 | H22 | 108.5° | 109.5° |
| C47 | C44 | H23 | 108.6° | 109.5° |
| C44 | C47 | H24 | 109.0° | 109.5° |
| C44 | C40 | C10 | 111.9° | 109.5° |
| C44 | C40 | O42 | 109.5° | 109.5° |
| C44 | C40 | H21 | 108.0° | 109.5° |
| C40 | C44 | H22 | 108.6° | 109.5° |
| C40 | C44 | H23 | 108.5° | 109.5° |
| O70 | C7 | N8 | 122.5° | 120.6° |
| O70 | C7 | C5 | 121.4° | 120.5° |
| C10 | C40 | O42 | 110.2° | 109.5° |
| C40 | C10 | C12 | 112.5° | 109.6° |
| C40 | C10 | N8 | 112.0° | 109.6° |
| C40 | C10 | H4 | 107.4° | 109.7° |
| C10 | C40 | H21 | 108.0° | 109.5° |
| O42 | C40 | H21 | 109.2° | 109.4° |
| C40 | O42 | H42 | 109.5° | 113.9° |
| C12 | C10 | N8 | 109.5° | 108.7° |
| C10 | C12 | C15 | 112.8° | 109.5° |
| C12 | C10 | H4 | 107.1° | 109.6° |
| C10 | C12 | H5 | 108.6° | 109.4° |
| C10 | C12 | H6 | 108.6° | 109.5° |
| C10 | N8 | C7 | 122.4° | 115.8° |
| N8 | C10 | H4 | 108.1° | 109.6° |
| C10 | N8 | H41 | 118.8° | 122.1° |
| C36 | C15 | C12 | 111.0° | 109.4° |
| C36 | C15 | C17 | 111.0° | 109.5° |
| C36 | C15 | H7 | 107.3° | 109.4° |
| C15 | C36 | H18 | 109.5° | 109.5° |
| C15 | C36 | H19 | 109.5° | 109.5° |
| C15 | C36 | H20 | 109.5° | 109.5° |
| N8 | C7 | C5 | 116.1° | 118.9° |
| C7 | N8 | H41 | 118.8° | 122.1° |
| C7 | C5 | C71 | 109.6° | 109.5° |
| C7 | C5 | C2 | 104.5° | 109.4° |
| C7 | C5 | H3 | 110.9° | 109.5° |
| C12 | C15 | C17 | 113.0° | 109.5° |
| C15 | C12 | H5 | 108.7° | 109.5° |
| C15 | C12 | H6 | 108.7° | 109.5° |
| C12 | C15 | H7 | 107.3° | 109.5° |
| C71 | C5 | C2 | 110.1° | 109.5° |
| C71 | C5 | H3 | 110.8° | 109.5° |
| C5 | C71 | H37 | 109.5° | 109.5° |
| C5 | C71 | H38 | 109.5° | 109.5° |
| C5 | C71 | H39 | 109.5° | 109.5° |
| C15 | C17 | C20 | 113.4° | 109.5° |
| C17 | C15 | H7 | 107.1° | 109.5° |
| C15 | C17 | H8 | 108.5° | 109.5° |
| C15 | C17 | H9 | 108.5° | 109.4° |
| C5 | C2 | S1 | 113.8° | 109.5° |
| C5 | C2 | H1 | 108.4° | 109.5° |
| C5 | C2 | H2 | 108.4° | 109.5° |
| C2 | C5 | H3 | 110.9° | 109.4° |
| C17 | C20 | C23 | 112.1° | 109.4° |
| C20 | C17 | H8 | 108.5° | 109.4° |
| C20 | C17 | H9 | 108.5° | 109.5° |
| C17 | C20 | H10 | 108.8° | 109.4° |
| C17 | C20 | H11 | 108.8° | 109.4° |
| C2 | S1 | O75 | 107.7° | 108.6° |
| C2 | S1 | O76 | 108.5° | 108.6° |
| C2 | S1 | C33 | 106.6° | 101.9° |
| S1 | C2 | H1 | 108.4° | 109.5° |
| S1 | C2 | H2 | 108.4° | 109.5° |
| C20 | C23 | C24 | 120.8° | 120.0° |
| C20 | C23 | C31 | 120.8° | 120.0° |
| C23 | C20 | H10 | 108.8° | 109.5° |
| C23 | C20 | H11 | 108.8° | 109.5° |
| O75 | S1 | O76 | 117.1° | 119.2° |
| O75 | S1 | C33 | 107.8° | 108.6° |
| O76 | S1 | C33 | 108.6° | 108.6° |
| S1 | C33 | C26 | 112.8° | 109.4° |
| S1 | C33 | H16 | 108.6° | 109.5° |
| S1 | C33 | H17 | 108.6° | 109.5° |
| C23 | C24 | C26 | 121.5° | 120.0° |
| C24 | C23 | C31 | 118.4° | 120.0° |
| C23 | C24 | H12 | 119.2° | 120.0° |
| C24 | C26 | C33 | 121.1° | 119.9° |
| C24 | C26 | C27 | 118.4° | 120.0° |
| C26 | C24 | H12 | 119.3° | 120.0° |
| C23 | C31 | C29 | 120.7° | 120.0° |
| C23 | C31 | H15 | 119.7° | 120.1° |
| C33 | C26 | C27 | 120.5° | 120.0° |
| C26 | C33 | H16 | 108.6° | 109.4° |
| C26 | C33 | H17 | 108.6° | 109.5° |
| C26 | C27 | C29 | 120.7° | 120.0° |
| C26 | C27 | H13 | 119.6° | 120.0° |
| C31 | C29 | C27 | 120.3° | 120.0° |
| C31 | C29 | H14 | 119.8° | 120.0° |
| C29 | C31 | H15 | 119.7° | 120.0° |
| C29 | C27 | H13 | 119.7° | 120.0° |
| C27 | C29 | H14 | 119.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.4° | 109.5° |
| H8 | C17 | H9 | 109.4° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H16 | C33 | H17 | 109.5° | 109.5° |
| H18 | C36 | H19 | 109.5° | 109.4° |
| H18 | C36 | H20 | 109.5° | 109.5° |
| H19 | C36 | H20 | 109.5° | 109.4° |
| H22 | C44 | H23 | 109.5° | 109.4° |
| H25 | C49 | H26 | 109.5° | 109.5° |
| H25 | C49 | H27 | 109.5° | 109.5° |
| H26 | C49 | H27 | 109.4° | 109.5° |
| H28 | C57 | H29 | 109.5° | 109.5° |
| H30 | C60 | H31 | 109.5° | 109.5° |
| H32 | C63 | H33 | 109.5° | 109.5° |
| H34 | C66 | H35 | 109.5° | 109.5° |
| H34 | C66 | H36 | 109.4° | 109.5° |
| H35 | C66 | H36 | 109.5° | 109.5° |
| H37 | C71 | H38 | 109.5° | 109.5° |
| H37 | C71 | H39 | 109.5° | 109.5° |
| H38 | C71 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C66 | C63 | C60 | H32 | 120.7° | 120.0° |
| C66 | C63 | C60 | H33 | 120.7° | 120.0° |
| C66 | C63 | C60 | C57 | 44.1° | 180.0° |
| C66 | C63 | C60 | H30 | 164.9° | 60.0° |
| C66 | C63 | C60 | H31 | 76.7° | 60.0° |
| C66 | C63 | H32 | H33 | 117.9° | 120.0° |
| C63 | C66 | H34 | H35 | 120.0° | 120.0° |
| C63 | C66 | H34 | H36 | 120.0° | 120.0° |
| C63 | C66 | H35 | H36 | 120.0° | 120.0° |
| C63 | C60 | C57 | H30 | 120.8° | 120.0° |
| C63 | C60 | C57 | H31 | 120.8° | 119.9° |
| C63 | C60 | C57 | N55 | 156.0° | 180.0° |
| C63 | C60 | C57 | H28 | 83.6° | 60.1° |
| C63 | C60 | C57 | H29 | 35.7° | 60.0° |
| C63 | C60 | H30 | H31 | 117.5° | 120.0° |
| C60 | C63 | H32 | H33 | 117.9° | 120.0° |
| C60 | C63 | C66 | H34 | 180.0° | 180.0° |
| C60 | C63 | C66 | H35 | 60.0° | 60.0° |
| C60 | C63 | C66 | H36 | 60.0° | 60.1° |
| C60 | C57 | N55 | H28 | 120.4° | 120.0° |
| C60 | C57 | N55 | H29 | 120.3° | 120.0° |
| C60 | C57 | N55 | C53 | 176.4° | 180.0° |
| C60 | C57 | H28 | H29 | 118.9° | 120.0° |
| C57 | C60 | H30 | H31 | 117.5° | 120.0° |
| C57 | C60 | C63 | H32 | 76.6° | 60.0° |
| C57 | C60 | C63 | H33 | 164.8° | 60.0° |
| C60 | C57 | N55 | H40 | 3.6° | 0.0° |
| C57 | N55 | C53 | H40 | 180.0° | 180.0° |
| C57 | N55 | C53 | O54 | 1.7° | 0.0° |
| C57 | N55 | C53 | C47 | 179.4° | 180.0° |
| N55 | C57 | H28 | H29 | 118.9° | 120.0° |
| N55 | C57 | C60 | H30 | 35.2° | 60.0° |
| N55 | C57 | C60 | H31 | 83.2° | 60.0° |
| N55 | C53 | O54 | C47 | 179.0° | 180.0° |
| N55 | C53 | C47 | C49 | 101.6° | 60.0° |
| N55 | C53 | C47 | C44 | 137.0° | 180.0° |
| N55 | C53 | C47 | H24 | 16.6° | 60.0° |
| C53 | N55 | C57 | H28 | 63.2° | 60.0° |
| C53 | N55 | C57 | H29 | 56.1° | 60.0° |
| O54 | C53 | C47 | C49 | 79.4° | 120.0° |
| O54 | C53 | C47 | C44 | 42.0° | 0.0° |
| O54 | C53 | C47 | H24 | 162.4° | 120.0° |
| O54 | C53 | N55 | H40 | 178.3° | 180.0° |
| C53 | C47 | C49 | C44 | 121.9° | 120.0° |
| C53 | C47 | C49 | H24 | 118.3° | 120.0° |
| C53 | C47 | C44 | H24 | 120.4° | 120.0° |
| C53 | C47 | C44 | C40 | 83.8° | 66.2° |
| C53 | C47 | C44 | H22 | 36.7° | 173.8° |
| C53 | C47 | C44 | H23 | 155.7° | 53.8° |
| C53 | C47 | C49 | H25 | 180.0° | 55.3° |
| C53 | C47 | C49 | H26 | 60.0° | 175.3° |
| C53 | C47 | C49 | H27 | 60.0° | 64.7° |
| C47 | C53 | N55 | H40 | 0.7° | 0.0° |
| C49 | C47 | C44 | H24 | 119.6° | 120.0° |
| C49 | C47 | C44 | C40 | 156.3° | 173.7° |
| C49 | C47 | C44 | H22 | 83.2° | 53.7° |
| C49 | C47 | C44 | H23 | 35.7° | 66.2° |
| C47 | C49 | H25 | H26 | 120.0° | 120.0° |
| C47 | C49 | H25 | H27 | 120.0° | 120.0° |
| C47 | C49 | H26 | H27 | 120.0° | 120.0° |
| C47 | C44 | C40 | H22 | 120.5° | 120.0° |
| C47 | C44 | C40 | H23 | 120.5° | 120.0° |
| C47 | C44 | C40 | C10 | 152.5° | 174.8° |
| C47 | C44 | C40 | O42 | 85.1° | 65.2° |
| C47 | C44 | C40 | H21 | 33.7° | 54.8° |
| C47 | C44 | H22 | H23 | 118.4° | 120.0° |
| C44 | C47 | C49 | H25 | 58.1° | 175.3° |
| C44 | C47 | C49 | H26 | 62.0° | 64.7° |
| C44 | C47 | C49 | H27 | 178.1° | 55.3° |
| C44 | C40 | C10 | O42 | 122.0° | 120.1° |
| C44 | C40 | C10 | H21 | 118.8° | 120.0° |
| C44 | C40 | O42 | H21 | 118.1° | 120.0° |
| C44 | C40 | C10 | C12 | 179.3° | 180.0° |
| C44 | C40 | C10 | N8 | 56.8° | 60.8° |
| C44 | C40 | C10 | H4 | 61.7° | 59.6° |
| C40 | C44 | H22 | H23 | 118.3° | 120.0° |
| C40 | C44 | C47 | H24 | 36.7° | 53.8° |
| C44 | C40 | O42 | H42 | 180.0° | 60.0° |
| O70 | C7 | N8 | C10 | 3.3° | 0.3° |
| O70 | C7 | N8 | C5 | 179.5° | 180.0° |
| O70 | C7 | C5 | C71 | 26.2° | 42.9° |
| O70 | C7 | C5 | C2 | 91.7° | 77.0° |
| O70 | C7 | C5 | H3 | 148.8° | 163.0° |
| O70 | C7 | N8 | H41 | 176.7° | 179.7° |
| C10 | C40 | O42 | H21 | 118.5° | 120.0° |
| C40 | C10 | C12 | N8 | 125.3° | 119.8° |
| C40 | C10 | C12 | H4 | 117.7° | 120.4° |
| C40 | C10 | N8 | H4 | 118.1° | 120.5° |
| C40 | C10 | N8 | C7 | 108.0° | 94.2° |
| C40 | C10 | C12 | C15 | 172.1° | 172.5° |
| C40 | C10 | C12 | H5 | 51.5° | 67.5° |
| C40 | C10 | C12 | H6 | 67.4° | 52.5° |
| C10 | C40 | C44 | H22 | 31.9° | 65.2° |
| C10 | C40 | C44 | H23 | 87.0° | 54.8° |
| C40 | C10 | N8 | H41 | 72.0° | 85.7° |
| C10 | C40 | O42 | H42 | 56.6° | 60.0° |
| O42 | C40 | C10 | C12 | 58.7° | 60.0° |
| O42 | C40 | C10 | N8 | 65.2° | 59.2° |
| O42 | C40 | C10 | H4 | 176.3° | 179.7° |
| O42 | C40 | C44 | H22 | 154.4° | 54.9° |
| O42 | C40 | C44 | H23 | 35.4° | 174.8° |
| C12 | C10 | N8 | H4 | 116.4° | 119.7° |
| C10 | C12 | C15 | C36 | 65.6° | 111.9° |
| C12 | C10 | N8 | C7 | 126.4° | 146.0° |
| C10 | C12 | C15 | H5 | 120.5° | 119.9° |
| C10 | C12 | C15 | H6 | 120.5° | 120.1° |
| C10 | C12 | C15 | C17 | 169.0° | 128.1° |
| C10 | C12 | H5 | H6 | 118.4° | 120.0° |
| C10 | C12 | C15 | H7 | 51.3° | 8.0° |
| C12 | C10 | C40 | H21 | 60.5° | 60.0° |
| C12 | C10 | N8 | H41 | 53.6° | 34.0° |
| C10 | N8 | C7 | H41 | 180.0° | 179.9° |
| C10 | N8 | C7 | C5 | 176.1° | 179.7° |
| N8 | C10 | C12 | C15 | 46.8° | 67.7° |
| N8 | C10 | C12 | H5 | 73.8° | 52.3° |
| N8 | C10 | C12 | H6 | 167.3° | 172.3° |
| N8 | C10 | C40 | H21 | 175.6° | 179.2° |
| C36 | C15 | C12 | C17 | 125.4° | 120.0° |
| C36 | C15 | C12 | H7 | 116.9° | 119.9° |
| C36 | C15 | C17 | H7 | 116.8° | 119.9° |
| C36 | C15 | C17 | C20 | 69.5° | 37.8° |
| C36 | C15 | C12 | H5 | 173.9° | 128.1° |
| C36 | C15 | C12 | H6 | 54.9° | 8.1° |
| C36 | C15 | C17 | H8 | 169.9° | 157.8° |
| C36 | C15 | C17 | H9 | 51.1° | 82.2° |
| C15 | C36 | H18 | H19 | 120.0° | 120.0° |
| C15 | C36 | H18 | H20 | 120.0° | 120.1° |
| C15 | C36 | H19 | H20 | 120.0° | 120.0° |
| N8 | C7 | C5 | C71 | 154.3° | 137.1° |
| N8 | C7 | C5 | C2 | 87.8° | 102.9° |
| N8 | C7 | C5 | H3 | 31.7° | 17.0° |
| C7 | N8 | C10 | H4 | 10.1° | 26.3° |
| C7 | C5 | C71 | C2 | 114.4° | 120.0° |
| C7 | C5 | C71 | H3 | 122.6° | 120.0° |
| C7 | C5 | C2 | H3 | 119.5° | 120.0° |
| C7 | C5 | C2 | S1 | 169.0° | 96.4° |
| C7 | C5 | C2 | H1 | 48.4° | 23.6° |
| C7 | C5 | C2 | H2 | 70.4° | 143.6° |
| C7 | C5 | C71 | H37 | 180.0° | 60.0° |
| C7 | C5 | C71 | H38 | 60.0° | 60.0° |
| C7 | C5 | C71 | H39 | 60.0° | 180.0° |
| C5 | C7 | N8 | H41 | 3.9° | 0.3° |
| C12 | C15 | C17 | H7 | 117.9° | 120.1° |
| C12 | C15 | C17 | C20 | 165.2° | 157.8° |
| C15 | C12 | C10 | H4 | 70.2° | 52.1° |
| C15 | C12 | H5 | H6 | 118.5° | 120.0° |
| C12 | C15 | C17 | H8 | 44.6° | 82.2° |
| C12 | C15 | C17 | H9 | 74.2° | 37.8° |
| C12 | C15 | C36 | H18 | 180.0° | 49.7° |
| C12 | C15 | C36 | H19 | 60.0° | 169.7° |
| C12 | C15 | C36 | H20 | 60.0° | 70.3° |
| C71 | C5 | C2 | H3 | 123.0° | 120.0° |
| C71 | C5 | C2 | S1 | 73.4° | 143.6° |
| C71 | C5 | C2 | H1 | 166.0° | 96.4° |
| C71 | C5 | C2 | H2 | 47.2° | 23.6° |
| C5 | C71 | H37 | H38 | 120.0° | 120.0° |
| C5 | C71 | H37 | H39 | 120.0° | 120.0° |
| C5 | C71 | H38 | H39 | 120.0° | 120.0° |
| C15 | C17 | C20 | H8 | 120.6° | 120.0° |
| C15 | C17 | C20 | H9 | 120.6° | 120.0° |
| C15 | C17 | C20 | C23 | 65.7° | 96.1° |
| C17 | C15 | C12 | H5 | 48.5° | 8.2° |
| C17 | C15 | C12 | H6 | 70.5° | 111.9° |
| C15 | C17 | H8 | H9 | 118.2° | 120.0° |
| C15 | C17 | C20 | H10 | 173.9° | 143.9° |
| C15 | C17 | C20 | H11 | 54.7° | 24.0° |
| C17 | C15 | C36 | H18 | 53.5° | 169.7° |
| C17 | C15 | C36 | H19 | 66.5° | 70.3° |
| C17 | C15 | C36 | H20 | 173.5° | 49.7° |
| C5 | C2 | S1 | H1 | 120.6° | 120.0° |
| C5 | C2 | S1 | H2 | 120.6° | 120.0° |
| C5 | C2 | S1 | O75 | 86.7° | 85.3° |
| C5 | C2 | S1 | O76 | 41.0° | 45.8° |
| C5 | C2 | S1 | C33 | 157.8° | 160.2° |
| C5 | C2 | H1 | H2 | 118.1° | 120.0° |
| C2 | C5 | C71 | H37 | 65.6° | 60.0° |
| C2 | C5 | C71 | H38 | 54.4° | 180.0° |
| C2 | C5 | C71 | H39 | 174.4° | 60.0° |
| C17 | C20 | C23 | H10 | 120.4° | 119.9° |
| C17 | C20 | C23 | H11 | 120.4° | 120.0° |
| C17 | C20 | C23 | C24 | 103.9° | 20.5° |
| C17 | C20 | C23 | C31 | 74.9° | 159.4° |
| C20 | C17 | C15 | H7 | 47.3° | 82.1° |
| C20 | C17 | H8 | H9 | 118.2° | 120.0° |
| C17 | C20 | H10 | H11 | 118.8° | 119.9° |
| C2 | S1 | O75 | O76 | 122.5° | 124.9° |
| C2 | S1 | O75 | C33 | 114.7° | 110.1° |
| C2 | S1 | O76 | C33 | 115.5° | 110.0° |
| C2 | S1 | C33 | C26 | 52.8° | 127.9° |
| S1 | C2 | H1 | H2 | 118.0° | 120.0° |
| S1 | C2 | C5 | H3 | 49.5° | 23.6° |
| C2 | S1 | C33 | H16 | 67.7° | 112.1° |
| C2 | S1 | C33 | H17 | 173.3° | 7.9° |
| C20 | C23 | C24 | C31 | 178.8° | 179.9° |
| C20 | C23 | C24 | C26 | 178.9° | 180.0° |
| C20 | C23 | C31 | C29 | 179.0° | 180.0° |
| C23 | C20 | C17 | H8 | 54.9° | 23.9° |
| C23 | C20 | C17 | H9 | 173.7° | 144.0° |
| C23 | C20 | H10 | H11 | 118.8° | 120.1° |
| C20 | C23 | C24 | H12 | 1.1° | 0.0° |
| C20 | C23 | C31 | H15 | 1.0° | 0.1° |
| O75 | S1 | O76 | C33 | 122.3° | 125.0° |
| O75 | S1 | C33 | C26 | 168.3° | 117.6° |
| O75 | S1 | C2 | H1 | 152.7° | 154.7° |
| O75 | S1 | C2 | H2 | 33.9° | 34.7° |
| O75 | S1 | C33 | H16 | 47.8° | 2.3° |
| O75 | S1 | C33 | H17 | 71.2° | 122.4° |
| O76 | S1 | C33 | C26 | 63.9° | 13.5° |
| O76 | S1 | C2 | H1 | 79.6° | 74.3° |
| O76 | S1 | C2 | H2 | 161.7° | 165.7° |
| O76 | S1 | C33 | H16 | 175.6° | 133.4° |
| O76 | S1 | C33 | H17 | 56.6° | 106.6° |
| S1 | C33 | C26 | C24 | 89.1° | 35.7° |
| S1 | C33 | C26 | H16 | 120.5° | 120.0° |
| S1 | C33 | C26 | H17 | 120.5° | 120.0° |
| S1 | C33 | C26 | C27 | 89.3° | 144.3° |
| C33 | S1 | C2 | H1 | 37.2° | 40.2° |
| C33 | S1 | C2 | H2 | 81.5° | 79.8° |
| S1 | C33 | H16 | H17 | 118.5° | 120.0° |
| C23 | C24 | C26 | H12 | 180.0° | 180.0° |
| C23 | C24 | C26 | C33 | 178.4° | 180.0° |
| C23 | C24 | C26 | C27 | 0.0° | 0.0° |
| C24 | C23 | C31 | C29 | 0.3° | 0.1° |
| C24 | C23 | C20 | H10 | 135.7° | 140.4° |
| C24 | C23 | C20 | H11 | 16.5° | 99.5° |
| C24 | C23 | C31 | H15 | 179.7° | 180.0° |
| C26 | C24 | C23 | C31 | 0.2° | 0.0° |
| C24 | C26 | C33 | C27 | 178.4° | 180.0° |
| C24 | C26 | C27 | C29 | 0.0° | 0.1° |
| C24 | C26 | C27 | H13 | 180.0° | 179.9° |
| C24 | C26 | C33 | H16 | 31.5° | 155.7° |
| C24 | C26 | C33 | H17 | 150.5° | 84.3° |
| C23 | C31 | C29 | H15 | 180.0° | 179.9° |
| C23 | C31 | C29 | C27 | 0.2° | 0.0° |
| C31 | C23 | C20 | H10 | 45.5° | 39.5° |
| C31 | C23 | C20 | H11 | 164.7° | 80.6° |
| C31 | C23 | C24 | H12 | 179.8° | 179.9° |
| C23 | C31 | C29 | H14 | 179.8° | 179.9° |
| C33 | C26 | C27 | C29 | 178.4° | 179.9° |
| C33 | C26 | C24 | H12 | 1.6° | 0.0° |
| C33 | C26 | C27 | H13 | 1.6° | 0.1° |
| C26 | C33 | H16 | H17 | 118.5° | 120.0° |
| C26 | C27 | C29 | C31 | 0.1° | 0.0° |
| C26 | C27 | C29 | H13 | 180.0° | 180.0° |
| C27 | C26 | C24 | H12 | 180.0° | 180.0° |
| C26 | C27 | C29 | H14 | 179.9° | 180.0° |
| C27 | C26 | C33 | H16 | 150.1° | 24.3° |
| C27 | C26 | C33 | H17 | 31.1° | 95.7° |
| C31 | C29 | C27 | H14 | 180.0° | 180.0° |
| C31 | C29 | C27 | H13 | 179.9° | 180.0° |
| C27 | C29 | C31 | H15 | 179.8° | 179.9° |
| H1 | C2 | C5 | H3 | 71.1° | 143.6° |
| H2 | C2 | C5 | H3 | 170.1° | 96.4° |
| H3 | C5 | C71 | H37 | 57.4° | 180.0° |
| H3 | C5 | C71 | H38 | 177.4° | 60.0° |
| H3 | C5 | C71 | H39 | 62.6° | 60.0° |
| H4 | C10 | C12 | H5 | 169.3° | 172.1° |
| H4 | C10 | C12 | H6 | 50.3° | 68.0° |
| H4 | C10 | C40 | H21 | 57.1° | 60.4° |
| H4 | C10 | N8 | H41 | 169.9° | 153.8° |
| H5 | C12 | C15 | H7 | 69.2° | 111.9° |
| H6 | C12 | C15 | H7 | 171.8° | 128.1° |
| H7 | C15 | C17 | H8 | 73.3° | 37.9° |
| H7 | C15 | C17 | H9 | 167.9° | 157.9° |
| H7 | C15 | C36 | H18 | 63.1° | 70.3° |
| H7 | C15 | C36 | H19 | 176.8° | 49.7° |
| H7 | C15 | C36 | H20 | 56.8° | 169.7° |
| H8 | C17 | C20 | H10 | 65.5° | 96.1° |
| H8 | C17 | C20 | H11 | 175.3° | 144.0° |
| H9 | C17 | C20 | H10 | 53.3° | 24.0° |
| H9 | C17 | C20 | H11 | 65.9° | 96.0° |
| H13 | C27 | C29 | H14 | 0.1° | 0.0° |
| H14 | C29 | C31 | H15 | 0.2° | 0.0° |
| H18 | C36 | H19 | H20 | 120.0° | 119.9° |
| H21 | C40 | C44 | H22 | 86.8° | 174.8° |
| H21 | C40 | C44 | H23 | 154.3° | 65.2° |
| H21 | C40 | O42 | H42 | 61.9° | 180.0° |
| H22 | C44 | C47 | H24 | 157.2° | 66.2° |
| H23 | C44 | C47 | H24 | 83.9° | 173.8° |
| H24 | C47 | C49 | H25 | 61.7° | 64.7° |
| H24 | C47 | C49 | H26 | 178.3° | 55.3° |
| H24 | C47 | C49 | H27 | 58.4° | 175.3° |
| H25 | C49 | H26 | H27 | 120.0° | 120.0° |
| H28 | C57 | C60 | H30 | 155.6° | 60.0° |
| H28 | C57 | C60 | H31 | 37.2° | NaN° |
| H28 | C57 | N55 | H40 | 116.7° | 120.0° |
| H29 | C57 | C60 | H30 | 85.1° | 180.0° |
| H29 | C57 | C60 | H31 | 156.5° | 60.0° |
| H29 | C57 | N55 | H40 | 123.9° | 120.0° |
| H30 | C60 | C63 | H32 | 44.2° | 180.0° |
| H30 | C60 | C63 | H33 | 74.4° | 60.0° |
| H31 | C60 | C63 | H32 | 162.6° | 60.0° |
| H31 | C60 | C63 | H33 | 43.9° | 180.0° |
| H32 | C63 | C66 | H34 | 59.3° | 60.0° |
| H32 | C63 | C66 | H35 | 60.7° | 180.0° |
| H32 | C63 | C66 | H36 | 179.3° | 60.0° |
| H33 | C63 | C66 | H34 | 59.3° | 60.0° |
| H33 | C63 | C66 | H35 | 179.3° | 60.0° |
| H33 | C63 | C66 | H36 | 60.7° | 180.0° |
| H34 | C66 | H35 | H36 | 120.0° | 120.0° |
| H37 | C71 | H38 | H39 | 120.0° | 120.0° |
