A1JA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | N12 | sing | 1.47Å | 1.51Å | |
| C15 | C22 | sing | 1.53Å | 1.53Å | |
| N12 | C11 | sing | 1.47Å | 1.51Å | |
| N12 | C23 | sing | 1.47Å | 1.50Å | |
| CL5 | C4 | sing | 1.74Å | 1.74Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C4 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.48Å | |
| C7 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.74Å | |
| C41 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | N27 | sing | 1.47Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N27 | C40 | sing | 1.47Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | C39 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C31 | N32 | sing | 1.47Å | 1.45Å | |
| N32 | C33 | sing | 1.35Å | 1.30Å | |
| O38 | C33 | doub | 1.21Å | 1.22Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C34 | F35 | sing | 1.40Å | 1.31Å | |
| C34 | F37 | sing | 1.40Å | 1.30Å | |
| C34 | F36 | sing | 1.40Å | 1.30Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| C15 | C1 | sing | 1.53Å | 63.41Å | |
| C1 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C12 | sing | 1.53Å | 0.00Å | |
| C12 | N1 | sing | 1.47Å | 0.00Å | |
| N1 | C17 | sing | 1.47Å | 0.00Å | |
| C17 | C18 | sing | 1.53Å | 0.00Å | |
| C18 | C1 | sing | 1.53Å | 0.00Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C5 | H4 | sing | 1.09Å | 0.00Å | |
| C5 | H5 | sing | 1.09Å | 0.00Å | |
| C12 | H7 | sing | 1.09Å | 0.00Å | |
| C12 | H8 | sing | 1.09Å | 0.00Å | |
| N1 | H10 | sing | 1.01Å | 0.00Å | |
| C17 | H11 | sing | 1.09Å | 0.00Å | |
| C17 | H12 | sing | 1.09Å | 0.00Å | |
| C18 | H13 | sing | 1.09Å | 0.00Å | |
| C18 | H14 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 108.9° | 109.3° |
| C14 | C13 | N12 | 111.3° | 109.6° |
| C14 | C13 | H13B | 109.0° | 109.5° |
| C14 | C13 | H13A | 109.0° | 109.4° |
| C13 | C14 | H14A | 109.6° | 109.5° |
| C13 | C14 | H14B | 109.6° | 109.6° |
| C14 | C15 | C22 | 109.3° | 109.2° |
| C14 | C15 | H1 | 125.3° | 109.6° |
| C15 | C14 | H14A | 109.6° | 109.5° |
| C15 | C14 | H14B | 109.6° | 109.5° |
| C14 | C15 | C1 | 90.3° | 109.6° |
| C13 | N12 | C11 | 108.5° | 111.0° |
| C13 | N12 | C23 | 110.6° | 111.2° |
| N12 | C13 | H13B | 109.0° | 109.5° |
| N12 | C13 | H13A | 109.0° | 109.4° |
| C15 | C22 | C23 | 109.6° | 109.3° |
| C22 | C15 | H1 | 125.1° | 109.5° |
| C15 | C22 | H22A | 109.5° | 109.6° |
| C15 | C22 | H22B | 109.4° | 109.5° |
| C22 | C15 | C1 | 82.8° | 109.5° |
| C11 | N12 | C23 | 112.7° | 111.0° |
| N12 | C11 | C10 | 114.9° | 109.5° |
| N12 | C11 | H11A | 108.1° | 109.5° |
| N12 | C11 | H11B | 108.1° | 109.5° |
| N12 | C23 | C22 | 111.8° | 109.5° |
| N12 | C23 | H23A | 108.9° | 109.5° |
| N12 | C23 | H23B | 108.9° | 109.5° |
| CL5 | C4 | C6 | 118.7° | 119.9° |
| CL5 | C4 | C3 | 118.9° | 120.0° |
| C23 | C22 | H22A | 109.4° | 109.5° |
| C23 | C22 | H22B | 109.5° | 109.5° |
| C22 | C23 | H23A | 108.9° | 109.4° |
| C22 | C23 | H23B | 108.9° | 109.4° |
| C11 | C10 | C9 | 120.4° | 120.0° |
| C11 | C10 | C24 | 120.5° | 119.9° |
| C10 | C11 | H11A | 108.1° | 109.5° |
| C10 | C11 | H11B | 108.1° | 109.5° |
| C6 | C4 | C3 | 122.3° | 120.1° |
| C4 | C6 | C7 | 119.5° | 119.9° |
| C4 | C6 | H6 | 120.3° | 120.1° |
| C4 | C3 | C2 | 117.4° | 120.2° |
| C4 | C3 | H3 | 121.3° | 119.9° |
| C6 | C7 | C8 | 121.2° | 120.1° |
| C6 | C7 | C42 | 118.8° | 119.8° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C10 | C9 | C8 | 121.5° | 119.9° |
| C9 | C10 | C24 | 118.9° | 120.1° |
| C10 | C9 | H9 | 119.3° | 120.1° |
| C9 | C8 | C7 | 121.3° | 120.1° |
| C9 | C8 | C41 | 118.1° | 119.8° |
| C8 | C9 | H9 | 119.2° | 120.0° |
| C10 | C24 | C25 | 121.1° | 120.2° |
| C10 | C24 | H24 | 119.5° | 119.9° |
| C3 | C2 | C42 | 122.1° | 120.1° |
| C3 | C2 | CL1 | 119.1° | 119.9° |
| C2 | C3 | H3 | 121.3° | 119.9° |
| C8 | C7 | C42 | 119.9° | 120.1° |
| C7 | C8 | C41 | 120.4° | 120.1° |
| C7 | C42 | C2 | 119.9° | 119.9° |
| C7 | C42 | H42 | 120.0° | 120.0° |
| C8 | C41 | C25 | 121.5° | 119.8° |
| C8 | C41 | H41 | 119.2° | 120.1° |
| C24 | C25 | C41 | 118.9° | 120.2° |
| C24 | C25 | C26 | 120.6° | 120.0° |
| C25 | C24 | H24 | 119.4° | 119.9° |
| C42 | C2 | CL1 | 118.8° | 120.0° |
| C2 | C42 | H42 | 120.1° | 120.1° |
| C41 | C25 | C26 | 120.5° | 119.9° |
| C25 | C41 | H41 | 119.2° | 120.1° |
| C25 | C26 | N27 | 114.1° | 109.5° |
| C25 | C26 | H26A | 108.3° | 109.5° |
| C25 | C26 | H26B | 108.3° | 109.4° |
| C29 | C28 | N27 | 110.5° | 109.5° |
| C28 | C29 | C30 | 109.5° | 109.3° |
| C29 | C28 | H28A | 109.2° | 109.4° |
| C29 | C28 | H28B | 109.2° | 109.5° |
| C28 | C29 | H29A | 109.5° | 109.5° |
| C28 | C29 | H29B | 109.5° | 109.5° |
| C28 | N27 | C26 | 111.4° | 111.0° |
| C28 | N27 | C40 | 111.3° | 111.1° |
| N27 | C28 | H28A | 109.2° | 109.4° |
| N27 | C28 | H28B | 109.2° | 109.5° |
| C26 | N27 | C40 | 110.3° | 111.0° |
| N27 | C26 | H26A | 108.3° | 109.5° |
| N27 | C26 | H26B | 108.3° | 109.5° |
| C29 | C30 | C31 | 110.6° | 109.6° |
| C29 | C30 | C39 | 109.0° | 109.2° |
| C30 | C29 | H29A | 109.5° | 109.5° |
| C30 | C29 | H29B | 109.5° | 109.5° |
| C29 | C30 | H30 | 108.4° | 109.5° |
| N27 | C40 | C39 | 111.2° | 109.6° |
| N27 | C40 | H40A | 109.0° | 109.5° |
| N27 | C40 | H40B | 109.0° | 109.4° |
| C31 | C30 | C39 | 111.8° | 109.5° |
| C30 | C31 | N32 | 113.4° | 109.5° |
| C31 | C30 | H30 | 108.5° | 109.5° |
| C30 | C31 | H31B | 108.5° | 109.5° |
| C30 | C31 | H31A | 108.5° | 109.5° |
| C30 | C39 | C40 | 109.3° | 109.3° |
| C39 | C30 | H30 | 108.4° | 109.5° |
| C30 | C39 | H39B | 109.5° | 109.5° |
| C30 | C39 | H39A | 109.5° | 109.4° |
| C40 | C39 | H39B | 109.5° | 109.5° |
| C40 | C39 | H39A | 109.5° | 109.6° |
| C39 | C40 | H40A | 109.0° | 109.5° |
| C39 | C40 | H40B | 109.0° | 109.5° |
| C31 | N32 | C33 | 120.2° | 120.0° |
| N32 | C31 | H31B | 108.4° | 109.5° |
| N32 | C31 | H31A | 108.5° | 109.4° |
| C31 | N32 | H32 | 119.9° | 119.9° |
| N32 | C33 | O38 | 124.8° | 120.0° |
| N32 | C33 | C34 | 115.9° | 120.0° |
| C33 | N32 | H32 | 119.9° | 120.1° |
| O38 | C33 | C34 | 119.2° | 120.0° |
| C33 | C34 | F35 | 114.0° | 109.4° |
| C33 | C34 | F37 | 110.7° | 109.4° |
| C33 | C34 | F36 | 110.4° | 109.4° |
| F35 | C34 | F37 | 107.5° | 109.5° |
| F35 | C34 | F36 | 106.7° | 109.5° |
| F37 | C34 | F36 | 107.2° | 109.5° |
| H13B | C13 | H13A | 109.5° | 109.4° |
| H1 | C15 | C1 | 90.8° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.6° |
| H31B | C31 | H31A | 109.5° | 109.5° |
| H39B | C39 | H39A | 109.5° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.4° |
| C15 | C1 | C5 | 90.0° | 109.5° |
| C15 | C1 | C18 | 90.0° | 109.5° |
| C15 | C1 | H2 | 90.0° | 109.5° |
| C1 | C5 | C12 | 90.0° | 109.3° |
| C5 | C1 | C18 | 90.0° | 109.2° |
| C5 | C1 | H2 | 90.0° | 109.6° |
| C1 | C5 | H4 | 90.0° | 109.5° |
| C1 | C5 | H5 | 90.0° | 109.5° |
| C5 | C12 | N1 | 90.0° | 109.5° |
| C12 | C5 | H4 | 90.0° | 109.5° |
| C12 | C5 | H5 | 90.0° | 109.5° |
| C5 | C12 | H7 | 90.0° | 109.5° |
| C5 | C12 | H8 | 90.0° | 109.5° |
| C12 | N1 | C17 | 90.0° | 111.2° |
| N1 | C12 | H7 | 90.0° | 109.4° |
| N1 | C12 | H8 | 90.0° | 109.5° |
| C12 | N1 | H10 | 90.0° | 111.0° |
| N1 | C17 | C18 | 90.0° | 109.5° |
| C17 | N1 | H10 | 90.0° | 111.0° |
| N1 | C17 | H11 | 90.0° | 109.5° |
| N1 | C17 | H12 | 90.0° | 109.5° |
| C17 | C18 | C1 | 90.0° | 109.2° |
| C18 | C17 | H11 | 90.0° | 109.5° |
| C18 | C17 | H12 | 90.0° | 109.5° |
| C17 | C18 | H13 | 90.0° | 109.5° |
| C17 | C18 | H14 | 90.0° | 109.5° |
| C18 | C1 | H2 | 90.0° | 109.6° |
| C1 | C18 | H13 | 90.0° | 109.5° |
| C1 | C18 | H14 | 90.0° | 109.5° |
| H4 | C5 | H5 | 90.0° | 109.5° |
| H7 | C12 | H8 | 90.0° | 109.5° |
| H11 | C17 | H12 | 90.0° | 109.5° |
| H13 | C18 | H14 | 90.0° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H14A | 119.9° | 119.9° |
| C13 | C14 | C15 | H14B | 119.9° | 120.0° |
| C14 | C13 | N12 | H13B | 120.2° | 120.1° |
| C14 | C13 | N12 | H13A | 120.3° | 120.0° |
| C13 | C14 | C15 | C22 | 69.8° | 57.6° |
| C14 | C13 | N12 | C11 | 146.7° | 174.2° |
| C14 | C13 | N12 | C23 | 22.5° | 61.7° |
| C14 | C13 | H13B | H13A | 119.2° | 119.9° |
| C13 | C14 | C15 | H1 | 103.8° | 62.3° |
| C13 | C14 | H14A | H14B | 120.3° | 120.1° |
| C13 | C14 | C15 | C1 | 12.7° | 177.5° |
| C15 | C14 | C13 | N12 | 41.7° | 59.1° |
| C14 | C15 | C22 | H1 | 173.6° | 120.0° |
| C14 | C15 | C22 | C1 | 87.8° | 120.0° |
| C14 | C15 | C22 | C23 | 27.8° | 57.7° |
| C15 | C14 | C13 | H13B | 162.0° | 179.2° |
| C15 | C14 | C13 | H13A | 78.5° | 60.8° |
| C14 | C15 | H1 | C1 | 90.9° | 120.2° |
| C14 | C15 | C22 | H22A | 147.8° | 62.3° |
| C14 | C15 | C22 | H22B | 92.2° | 177.6° |
| C15 | C14 | H14A | H14B | 120.3° | 120.1° |
| C14 | C15 | C1 | C5 | 90.0° | 60.3° |
| C14 | C15 | C1 | C18 | 90.0° | 180.0° |
| C14 | C15 | C1 | H2 | 90.0° | 59.9° |
| C13 | N12 | C11 | C23 | 122.9° | 124.2° |
| C13 | N12 | C23 | C22 | 65.1° | 61.7° |
| C13 | N12 | C11 | C10 | 167.9° | 65.8° |
| N12 | C13 | H13B | H13A | 119.2° | 119.9° |
| C13 | N12 | C11 | H11A | 71.3° | 54.2° |
| C13 | N12 | C11 | H11B | 47.1° | 174.2° |
| N12 | C13 | C14 | H14A | 161.7° | 60.8° |
| N12 | C13 | C14 | H14B | 78.2° | 179.1° |
| C13 | N12 | C23 | H23A | 55.2° | 58.3° |
| C13 | N12 | C23 | H23B | 174.5° | 178.3° |
| C15 | C22 | C23 | N12 | 36.6° | 59.2° |
| C15 | C22 | C23 | H22A | 120.0° | 120.0° |
| C15 | C22 | C23 | H22B | 120.0° | 119.9° |
| C22 | C15 | H1 | C1 | 81.7° | 120.1° |
| C15 | C22 | H22A | H22B | 120.0° | 120.1° |
| C22 | C15 | C14 | H14A | 170.3° | 62.3° |
| C22 | C15 | C14 | H14B | 50.1° | 177.7° |
| C15 | C22 | C23 | H23A | 83.8° | 60.8° |
| C15 | C22 | C23 | H23B | 157.0° | 179.2° |
| C22 | C15 | C1 | C5 | 90.0° | 180.0° |
| C22 | C15 | C1 | C18 | 90.0° | 60.3° |
| C22 | C15 | C1 | H2 | 90.0° | 59.9° |
| C11 | N12 | C23 | C22 | 173.2° | 174.2° |
| N12 | C11 | C10 | H11A | 120.8° | 120.0° |
| N12 | C11 | C10 | H11B | 120.8° | 120.0° |
| N12 | C11 | C10 | C9 | 98.3° | 90.2° |
| N12 | C11 | C10 | C24 | 87.3° | 89.9° |
| C11 | N12 | C13 | H13B | 26.4° | 54.1° |
| C11 | N12 | C13 | H13A | 93.1° | 65.8° |
| N12 | C11 | H11A | H11B | 117.5° | 120.0° |
| C11 | N12 | C23 | H23A | 66.5° | 65.8° |
| C11 | N12 | C23 | H23B | 52.8° | 54.2° |
| N12 | C23 | C22 | H23A | 120.4° | 120.0° |
| N12 | C23 | C22 | H23B | 120.4° | 120.0° |
| C23 | N12 | C11 | C10 | 69.2° | 170.0° |
| C23 | N12 | C13 | H13B | 97.7° | 178.2° |
| C23 | N12 | C13 | H13A | 142.8° | 58.3° |
| N12 | C23 | C22 | H22A | 83.4° | 60.8° |
| N12 | C23 | C22 | H22B | 156.6° | 179.1° |
| C23 | N12 | C11 | H11A | 51.6° | 70.0° |
| C23 | N12 | C11 | H11B | 170.0° | 50.0° |
| N12 | C23 | H23A | H23B | 119.0° | 120.0° |
| CL5 | C4 | C6 | C3 | 179.6° | 179.7° |
| CL5 | C4 | C6 | C7 | 179.3° | 179.8° |
| CL5 | C4 | C3 | C2 | 179.3° | 179.7° |
| CL5 | C4 | C6 | H6 | 0.7° | 0.3° |
| CL5 | C4 | C3 | H3 | 0.7° | 0.3° |
| C23 | C22 | C15 | H1 | 145.8° | 62.3° |
| C23 | C22 | H22A | H22B | 120.0° | 120.1° |
| C22 | C23 | H23A | H23B | 118.9° | 119.9° |
| C23 | C22 | C15 | C1 | 59.9° | 177.6° |
| C11 | C10 | C9 | C24 | 174.5° | 179.8° |
| C11 | C10 | C9 | C8 | 173.9° | 179.8° |
| C11 | C10 | C24 | C25 | 174.0° | 180.0° |
| C11 | C10 | C24 | H24 | 6.0° | 0.0° |
| C10 | C11 | H11A | H11B | 117.5° | 120.0° |
| C11 | C10 | C9 | H9 | 6.2° | 0.2° |
| C4 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C6 | C7 | C8 | 176.2° | 180.0° |
| C4 | C6 | C7 | C42 | 0.3° | 0.0° |
| C6 | C4 | C3 | H3 | 179.7° | 180.0° |
| C3 | C4 | C6 | C7 | 0.3° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C42 | 0.3° | 0.0° |
| C4 | C3 | C2 | CL1 | 179.9° | 180.0° |
| C3 | C4 | C6 | H6 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 37.7° | 179.7° |
| C6 | C7 | C8 | C42 | 176.5° | 179.9° |
| C6 | C7 | C8 | C41 | 147.1° | 0.1° |
| C6 | C7 | C42 | C2 | 0.4° | 0.0° |
| C6 | C7 | C42 | H42 | 179.6° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 174.7° | 180.0° |
| C10 | C9 | C8 | C41 | 0.6° | 0.3° |
| C9 | C10 | C24 | C25 | 0.5° | 0.2° |
| C9 | C10 | C24 | H24 | 179.5° | 179.8° |
| C9 | C10 | C11 | H11A | 140.9° | 29.8° |
| C9 | C10 | C11 | H11B | 22.4° | 149.8° |
| C8 | C9 | C10 | C24 | 0.6° | 0.0° |
| C9 | C8 | C7 | C41 | 175.2° | 179.8° |
| C9 | C8 | C7 | C42 | 138.8° | 0.2° |
| C9 | C8 | C41 | C25 | 0.4° | 0.2° |
| C9 | C8 | C41 | H41 | 179.6° | 179.7° |
| C10 | C24 | C25 | H24 | 180.0° | 180.0° |
| C10 | C24 | C25 | C41 | 0.3° | 0.2° |
| C10 | C24 | C25 | C26 | 179.1° | 180.0° |
| C24 | C10 | C11 | H11A | 33.5° | 150.0° |
| C24 | C10 | C11 | H11B | 151.9° | 30.0° |
| C24 | C10 | C9 | H9 | 179.4° | 180.0° |
| C3 | C2 | C42 | C7 | 0.4° | 0.0° |
| C3 | C2 | C42 | CL1 | 179.6° | 180.0° |
| C3 | C2 | C42 | H42 | 179.6° | 180.0° |
| C8 | C7 | C42 | C2 | 176.2° | 180.0° |
| C7 | C8 | C41 | C25 | 174.9° | 180.0° |
| C8 | C7 | C6 | H6 | 3.8° | 0.1° |
| C7 | C8 | C41 | H41 | 5.1° | 0.0° |
| C8 | C7 | C42 | H42 | 3.8° | 0.1° |
| C7 | C8 | C9 | H9 | 5.3° | 0.0° |
| C42 | C7 | C8 | C41 | 36.4° | 180.0° |
| C7 | C42 | C2 | H42 | 180.0° | 180.0° |
| C7 | C42 | C2 | CL1 | 180.0° | 180.0° |
| C42 | C7 | C6 | H6 | 179.7° | 180.0° |
| C8 | C41 | C25 | C24 | 0.3° | 0.0° |
| C8 | C41 | C25 | H41 | 180.0° | 180.0° |
| C8 | C41 | C25 | C26 | 179.1° | 179.8° |
| C41 | C8 | C9 | H9 | 179.4° | 179.8° |
| C24 | C25 | C41 | C26 | 179.4° | 179.7° |
| C24 | C25 | C26 | N27 | 96.0° | 90.0° |
| C24 | C25 | C26 | H26A | 143.3° | 150.0° |
| C24 | C25 | C26 | H26B | 24.7° | 30.0° |
| C24 | C25 | C41 | H41 | 179.7° | 180.0° |
| C42 | C2 | C3 | H3 | 179.7° | 180.0° |
| CL1 | C2 | C3 | H3 | 0.1° | 0.0° |
| CL1 | C2 | C42 | H42 | 0.0° | 0.0° |
| C41 | C25 | C26 | N27 | 83.4° | 89.7° |
| C41 | C25 | C24 | H24 | 179.7° | 179.7° |
| C41 | C25 | C26 | H26A | 37.3° | 30.3° |
| C41 | C25 | C26 | H26B | 155.9° | 150.3° |
| C25 | C26 | N27 | C28 | 61.3° | 170.0° |
| C25 | C26 | N27 | H26A | 120.7° | 120.0° |
| C25 | C26 | N27 | H26B | 120.7° | 120.0° |
| C25 | C26 | N27 | C40 | 174.6° | 65.8° |
| C26 | C25 | C24 | H24 | 0.9° | 0.0° |
| C25 | C26 | H26A | H26B | 117.9° | 120.0° |
| C26 | C25 | C41 | H41 | 0.9° | 0.3° |
| C29 | C28 | N27 | H28A | 120.1° | 120.0° |
| C29 | C28 | N27 | H28B | 120.2° | 120.1° |
| C29 | C28 | N27 | C26 | 179.6° | 174.1° |
| C28 | C29 | C30 | H29A | 120.0° | 119.9° |
| C28 | C29 | C30 | H29B | 120.0° | 119.9° |
| C29 | C28 | N27 | C40 | 56.0° | 61.8° |
| C28 | C29 | C30 | C31 | 175.6° | 177.6° |
| C28 | C29 | C30 | C39 | 61.2° | 57.6° |
| C29 | C28 | H28A | H28B | 119.5° | 120.0° |
| C28 | C29 | H29A | H29B | 120.0° | 120.1° |
| C28 | C29 | C30 | H30 | 56.7° | 62.3° |
| C28 | N27 | C26 | C40 | 124.1° | 124.2° |
| N27 | C28 | C29 | C30 | 58.9° | 59.2° |
| C28 | N27 | C40 | C39 | 55.7° | 61.8° |
| C28 | N27 | C26 | H26A | 178.0° | 70.0° |
| C28 | N27 | C26 | H26B | 59.4° | 50.0° |
| N27 | C28 | H28A | H28B | 119.5° | 120.0° |
| N27 | C28 | C29 | H29A | 178.9° | 179.1° |
| N27 | C28 | C29 | H29B | 61.1° | 60.7° |
| C28 | N27 | C40 | H40A | 175.9° | 58.3° |
| C28 | N27 | C40 | H40B | 64.6° | 178.2° |
| C26 | N27 | C40 | C39 | 179.8° | 174.1° |
| N27 | C26 | H26A | H26B | 117.9° | 120.0° |
| C26 | N27 | C28 | H28A | 60.3° | 54.2° |
| C26 | N27 | C28 | H28B | 59.4° | 65.8° |
| C26 | N27 | C40 | H40A | 59.9° | 65.8° |
| C26 | N27 | C40 | H40B | 59.6° | 54.1° |
| C29 | C30 | C31 | C39 | 121.6° | 119.7° |
| C29 | C30 | C31 | H30 | 118.9° | 120.1° |
| C29 | C30 | C39 | H30 | 117.8° | 119.9° |
| C29 | C30 | C39 | C40 | 60.3° | 57.6° |
| C29 | C30 | C31 | N32 | 170.6° | 175.0° |
| C30 | C29 | C28 | H28A | 179.1° | 179.2° |
| C30 | C29 | C28 | H28B | 61.2° | 60.9° |
| C30 | C29 | H29A | H29B | 120.0° | 120.1° |
| C29 | C30 | C31 | H31B | 50.0° | 55.0° |
| C29 | C30 | C31 | H31A | 68.9° | 65.0° |
| C29 | C30 | C39 | H39B | 179.8° | 177.6° |
| C29 | C30 | C39 | H39A | 59.7° | 62.4° |
| N27 | C40 | C39 | C30 | 57.7° | 59.2° |
| N27 | C40 | C39 | H40A | 120.2° | 120.1° |
| N27 | C40 | C39 | H40B | 120.2° | 120.0° |
| C40 | N27 | C26 | H26A | 53.9° | 54.2° |
| C40 | N27 | C26 | H26B | 64.7° | 174.2° |
| C40 | N27 | C28 | H28A | 176.2° | 178.3° |
| C40 | N27 | C28 | H28B | 64.1° | 58.3° |
| N27 | C40 | C39 | H39B | 177.6° | 179.1° |
| N27 | C40 | C39 | H39A | 62.3° | 60.7° |
| N27 | C40 | H40A | H40B | 119.2° | 119.9° |
| C31 | C30 | C39 | H30 | 119.6° | 120.1° |
| C31 | C30 | C39 | C40 | 177.2° | 177.6° |
| C30 | C31 | N32 | H31B | 120.6° | 120.0° |
| C30 | C31 | N32 | H31A | 120.6° | 120.0° |
| C30 | C31 | N32 | C33 | 171.8° | 180.0° |
| C31 | C30 | C29 | H29A | 55.6° | 62.5° |
| C31 | C30 | C29 | H29B | 64.4° | 57.7° |
| C30 | C31 | H31B | H31A | 118.2° | 120.0° |
| C31 | C30 | C39 | H39B | 57.2° | 62.4° |
| C31 | C30 | C39 | H39A | 62.9° | 57.6° |
| C30 | C31 | N32 | H32 | 8.2° | 0.0° |
| C30 | C39 | C40 | H39B | 120.0° | 119.9° |
| C30 | C39 | C40 | H39A | 120.0° | 119.9° |
| C39 | C30 | C31 | N32 | 67.8° | 65.3° |
| C39 | C30 | C29 | H29A | 178.8° | 177.5° |
| C39 | C30 | C29 | H29B | 58.8° | 62.3° |
| C39 | C30 | C31 | H31B | 171.6° | 174.7° |
| C39 | C30 | C31 | H31A | 52.7° | 54.7° |
| C30 | C39 | H39B | H39A | 120.1° | 120.0° |
| C30 | C39 | C40 | H40A | 177.9° | 60.9° |
| C30 | C39 | C40 | H40B | 62.6° | 179.2° |
| C40 | C39 | C30 | H30 | 57.6° | 62.3° |
| C40 | C39 | H39B | H39A | 120.1° | 120.2° |
| C39 | C40 | H40A | H40B | 119.2° | 120.0° |
| C31 | N32 | C33 | H32 | 180.0° | 180.0° |
| C31 | N32 | C33 | O38 | 2.1° | 0.1° |
| C31 | N32 | C33 | C34 | 179.3° | 180.0° |
| N32 | C31 | C30 | H30 | 51.7° | 54.9° |
| N32 | C31 | H31B | H31A | 118.2° | 119.9° |
| N32 | C33 | O38 | C34 | 178.6° | 179.9° |
| N32 | C33 | C34 | F35 | 6.0° | 180.0° |
| N32 | C33 | C34 | F37 | 127.2° | 60.0° |
| N32 | C33 | C34 | F36 | 114.2° | 60.0° |
| C33 | N32 | C31 | H31B | 67.6° | 60.0° |
| C33 | N32 | C31 | H31A | 51.2° | 60.0° |
| O38 | C33 | C34 | F35 | 175.3° | 0.1° |
| O38 | C33 | C34 | F37 | 54.1° | 120.0° |
| O38 | C33 | C34 | F36 | 64.5° | 119.9° |
| O38 | C33 | N32 | H32 | 177.9° | 180.0° |
| C33 | C34 | F35 | F37 | 123.1° | 119.9° |
| C33 | C34 | F35 | F36 | 122.2° | 120.0° |
| C33 | C34 | F37 | F36 | 120.5° | 120.0° |
| C34 | C33 | N32 | H32 | 0.7° | 0.0° |
| F35 | C34 | F37 | F36 | 114.4° | 120.1° |
| H13B | C13 | C14 | H14A | 78.1° | 59.3° |
| H13B | C13 | C14 | H14B | 42.1° | 60.8° |
| H13A | C13 | C14 | H14A | 41.4° | 179.2° |
| H13A | C13 | C14 | H14B | 161.6° | 59.2° |
| H1 | C15 | C22 | H22A | 25.8° | 177.8° |
| H1 | C15 | C22 | H22B | 94.2° | 57.6° |
| H1 | C15 | C14 | H14A | 16.1° | 177.8° |
| H1 | C15 | C14 | H14B | 136.3° | 57.7° |
| H1 | C15 | C1 | C5 | 90.0° | 59.9° |
| H1 | C15 | C1 | C18 | 90.0° | 59.8° |
| H1 | C15 | C1 | H2 | 90.0° | 179.9° |
| H22A | C22 | C23 | H23A | 156.2° | 179.2° |
| H22A | C22 | C23 | H23B | 37.0° | 59.3° |
| H22A | C22 | C15 | C1 | 60.1° | 57.7° |
| H22B | C22 | C23 | H23A | 36.2° | 59.1° |
| H22B | C22 | C23 | H23B | 83.1° | 60.8° |
| H22B | C22 | C15 | C1 | 179.9° | 62.5° |
| H28A | C28 | C29 | H29A | 60.9° | 60.9° |
| H28A | C28 | C29 | H29B | 59.1° | 59.3° |
| H28B | C28 | C29 | H29A | 58.8° | 59.0° |
| H28B | C28 | C29 | H29B | 178.8° | 179.3° |
| H14A | C14 | C15 | C1 | 107.3° | 57.7° |
| H14B | C14 | C15 | C1 | 132.6° | 62.4° |
| H29A | C29 | C30 | H30 | 63.4° | 57.6° |
| H29B | C29 | C30 | H30 | 176.7° | 177.8° |
| H30 | C30 | C31 | H31B | 68.8° | 65.2° |
| H30 | C30 | C31 | H31A | 172.3° | 174.8° |
| H30 | C30 | C39 | H39B | 62.4° | 57.7° |
| H30 | C30 | C39 | H39A | 177.5° | 177.7° |
| H31B | C31 | N32 | H32 | 112.4° | 120.0° |
| H31A | C31 | N32 | H32 | 128.8° | 120.0° |
| H39B | C39 | C40 | H40A | 62.1° | 59.1° |
| H39B | C39 | C40 | H40B | 57.4° | 60.9° |
| H39A | C39 | C40 | H40A | 57.9° | 179.3° |
| H39A | C39 | C40 | H40B | 177.5° | 59.3° |
| C15 | C1 | C5 | C18 | 90.0° | 119.9° |
| C15 | C1 | C5 | H2 | 90.0° | 120.1° |
| C15 | C1 | C5 | C12 | 90.0° | 177.6° |
| C15 | C1 | C18 | C17 | 90.0° | 177.6° |
| C15 | C1 | C18 | H2 | 90.0° | 120.1° |
| C15 | C1 | C5 | H4 | 90.0° | 62.5° |
| C15 | C1 | C5 | H5 | 90.0° | 57.6° |
| C15 | C1 | C18 | H13 | 90.0° | 57.7° |
| C15 | C1 | C18 | H14 | 90.0° | 62.5° |
| C1 | C5 | C12 | H4 | 90.0° | 119.9° |
| C1 | C5 | C12 | H5 | 90.0° | 120.0° |
| C1 | C5 | C12 | N1 | 90.0° | 59.2° |
| C5 | C1 | C18 | C17 | 90.0° | 57.7° |
| C5 | C1 | C18 | H2 | 90.0° | 120.0° |
| C1 | C5 | H4 | H5 | 90.0° | 120.1° |
| C1 | C5 | C12 | H7 | 90.0° | 60.8° |
| C1 | C5 | C12 | H8 | 90.0° | 179.2° |
| C5 | C1 | C18 | H13 | 90.0° | 62.2° |
| C5 | C1 | C18 | H14 | 90.0° | 177.6° |
| C5 | C12 | N1 | H7 | 90.0° | 120.0° |
| C5 | C12 | N1 | H8 | 90.0° | 120.0° |
| C5 | C12 | N1 | C17 | 90.0° | 61.8° |
| C12 | C5 | C1 | C18 | 90.0° | 57.7° |
| C12 | C5 | C1 | H2 | 90.0° | 62.3° |
| C12 | C5 | H4 | H5 | 90.0° | 120.1° |
| C5 | C12 | H7 | H8 | 90.0° | 120.0° |
| C5 | C12 | N1 | H10 | 90.0° | 174.2° |
| C12 | N1 | C17 | H10 | 90.0° | 124.1° |
| C12 | N1 | C17 | C18 | 90.0° | 61.7° |
| N1 | C12 | C5 | H4 | 90.0° | 179.1° |
| N1 | C12 | C5 | H5 | 90.0° | 60.8° |
| N1 | C12 | H7 | H8 | 90.0° | 119.9° |
| C12 | N1 | C17 | H11 | 90.0° | 58.3° |
| C12 | N1 | C17 | H12 | 90.0° | 178.2° |
| N1 | C17 | C18 | H11 | 90.0° | 120.0° |
| N1 | C17 | C18 | H12 | 90.0° | 120.0° |
| N1 | C17 | C18 | C1 | 90.0° | 59.2° |
| C17 | N1 | C12 | H7 | 90.0° | 58.3° |
| C17 | N1 | C12 | H8 | 90.0° | 178.2° |
| N1 | C17 | H11 | H12 | 90.0° | 120.0° |
| N1 | C17 | C18 | H13 | 90.0° | 60.7° |
| N1 | C17 | C18 | H14 | 90.0° | 179.1° |
| C17 | C18 | C1 | H13 | 90.0° | 119.9° |
| C17 | C18 | C1 | H14 | 90.0° | 119.9° |
| C17 | C18 | C1 | H2 | 90.0° | 62.3° |
| C18 | C17 | N1 | H10 | 90.0° | 174.2° |
| C18 | C17 | H11 | H12 | 90.0° | 120.0° |
| C17 | C18 | H13 | H14 | 90.0° | 120.1° |
| C18 | C1 | C5 | H4 | 90.0° | 177.6° |
| C18 | C1 | C5 | H5 | 90.0° | 62.3° |
| C1 | C18 | C17 | H11 | 90.0° | 60.8° |
| C1 | C18 | C17 | H12 | 90.0° | 179.2° |
| C1 | C18 | H13 | H14 | 90.0° | 120.1° |
| H2 | C1 | C5 | H4 | 90.0° | 57.6° |
| H2 | C1 | C5 | H5 | 90.0° | 177.7° |
| H2 | C1 | C18 | H13 | 90.0° | 177.8° |
| H2 | C1 | C18 | H14 | 90.0° | 57.6° |
| H4 | C5 | C12 | H7 | 90.0° | 59.1° |
| H4 | C5 | C12 | H8 | 90.0° | 60.9° |
| H5 | C5 | C12 | H7 | 90.0° | 179.2° |
| H5 | C5 | C12 | H8 | 90.0° | 59.2° |
| H7 | C12 | N1 | H10 | 90.0° | 65.8° |
| H8 | C12 | N1 | H10 | 90.0° | 54.1° |
| H10 | N1 | C17 | H11 | 90.0° | 65.8° |
| H10 | N1 | C17 | H12 | 90.0° | 54.2° |
| H11 | C17 | C18 | H13 | 90.0° | 179.3° |
| H11 | C17 | C18 | H14 | 90.0° | 59.1° |
| H12 | C17 | C18 | H13 | 90.0° | 59.3° |
| H12 | C17 | C18 | H14 | 90.0° | 60.9° |
