A1JA3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.33Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.39Å | 1.40Å | |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| N15 | C22 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.47Å | 1.49Å | |
| N12 | C23 | sing | 1.47Å | 1.49Å | |
| N12 | C11 | sing | 1.47Å | 1.51Å | |
| CL5 | C4 | sing | 1.74Å | 1.74Å | |
| 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 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.74Å | |
| C38 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | N27 | sing | 1.47Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N27 | C37 | sing | 1.47Å | 1.50Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C36 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C31 | N32 | sing | 1.46Å | 1.46Å | |
| N32 | C33 | sing | 1.35Å | 1.33Å | |
| O35 | C33 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| 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 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | 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 | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34C | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N19 | C18 | 116.7° | 121.9° |
| N19 | C20 | C21 | 123.8° | 120.9° |
| N19 | C20 | H20 | 118.1° | 119.6° |
| N19 | C18 | C17 | 123.8° | 120.8° |
| N19 | C18 | H18 | 118.1° | 119.6° |
| C20 | C21 | C16 | 119.1° | 119.1° |
| C21 | C20 | H20 | 118.1° | 119.5° |
| C20 | C21 | H21 | 120.5° | 120.5° |
| C18 | C17 | C16 | 119.2° | 119.1° |
| C18 | C17 | H17 | 120.4° | 120.4° |
| C17 | C18 | H18 | 118.1° | 119.6° |
| C21 | C16 | C17 | 117.4° | 118.3° |
| C21 | C16 | N15 | 121.3° | 120.9° |
| C16 | C21 | H21 | 120.4° | 120.5° |
| C17 | C16 | N15 | 121.2° | 120.9° |
| C16 | C17 | H17 | 120.4° | 120.5° |
| C16 | N15 | C14 | 116.5° | 111.0° |
| C16 | N15 | C22 | 115.7° | 111.1° |
| N15 | C14 | C13 | 110.7° | 109.4° |
| C14 | N15 | C22 | 113.4° | 110.9° |
| N15 | C14 | H14B | 109.2° | 109.5° |
| N15 | C14 | H14A | 109.2° | 109.4° |
| C14 | C13 | N12 | 108.4° | 109.3° |
| C14 | C13 | H13A | 109.7° | 109.4° |
| C14 | C13 | H13B | 109.7° | 109.5° |
| C13 | C14 | H14B | 109.2° | 109.5° |
| C13 | C14 | H14A | 109.1° | 109.5° |
| N15 | C22 | C23 | 111.4° | 109.4° |
| N15 | C22 | H22A | 109.0° | 109.5° |
| N15 | C22 | H22B | 109.0° | 109.5° |
| C22 | C23 | N12 | 111.0° | 109.4° |
| C23 | C22 | H22A | 109.0° | 109.5° |
| C23 | C22 | H22B | 109.0° | 109.5° |
| C22 | C23 | H23B | 109.1° | 109.5° |
| C22 | C23 | H23A | 109.1° | 109.5° |
| C13 | N12 | C23 | 110.2° | 110.9° |
| C13 | N12 | C11 | 111.0° | 111.0° |
| N12 | C13 | H13A | 109.7° | 109.5° |
| N12 | C13 | H13B | 109.7° | 109.5° |
| C23 | N12 | C11 | 112.2° | 111.0° |
| N12 | C23 | H23B | 109.1° | 109.5° |
| N12 | C23 | H23A | 109.1° | 109.5° |
| N12 | C11 | C10 | 114.0° | 109.4° |
| N12 | C11 | H11A | 108.3° | 109.5° |
| N12 | C11 | H11B | 108.3° | 109.4° |
| CL5 | C4 | C6 | 118.8° | 119.9° |
| CL5 | C4 | C3 | 119.0° | 119.9° |
| C11 | C10 | C9 | 120.9° | 120.0° |
| C11 | C10 | C24 | 120.2° | 119.9° |
| C10 | C11 | H11A | 108.4° | 109.5° |
| C10 | C11 | H11B | 108.3° | 109.5° |
| C6 | C4 | C3 | 122.2° | 120.1° |
| C4 | C6 | C7 | 119.6° | 119.9° |
| C4 | C6 | H6 | 120.2° | 120.1° |
| C4 | C3 | C2 | 117.5° | 120.2° |
| C4 | C3 | H3 | 121.2° | 120.0° |
| C6 | C7 | C8 | 121.0° | 120.1° |
| C6 | C7 | C39 | 119.0° | 119.8° |
| C7 | C6 | H6 | 120.2° | 120.1° |
| C10 | C9 | C8 | 121.5° | 119.9° |
| C9 | C10 | C24 | 118.8° | 120.1° |
| C10 | C9 | H9 | 119.2° | 120.0° |
| C9 | C8 | C7 | 121.4° | 120.1° |
| C9 | C8 | C38 | 118.1° | 119.7° |
| C8 | C9 | H9 | 119.2° | 120.1° |
| C10 | C24 | C25 | 121.2° | 120.2° |
| C10 | C24 | H24 | 119.4° | 119.9° |
| C3 | C2 | C39 | 122.0° | 120.1° |
| C3 | C2 | CL1 | 119.2° | 119.9° |
| C2 | C3 | H3 | 121.3° | 119.8° |
| C8 | C7 | C39 | 120.0° | 120.1° |
| C7 | C8 | C38 | 120.4° | 120.1° |
| C7 | C39 | C2 | 119.8° | 119.9° |
| C7 | C39 | H39 | 120.1° | 120.0° |
| C8 | C38 | C25 | 121.5° | 119.9° |
| C8 | C38 | H38 | 119.3° | 120.0° |
| C24 | C25 | C38 | 118.9° | 120.1° |
| C24 | C25 | C26 | 120.7° | 119.9° |
| C25 | C24 | H24 | 119.4° | 119.9° |
| C39 | C2 | CL1 | 118.9° | 120.0° |
| C2 | C39 | H39 | 120.1° | 120.1° |
| C38 | C25 | C26 | 120.4° | 120.0° |
| C25 | C38 | H38 | 119.2° | 120.1° |
| C25 | C26 | N27 | 113.6° | 109.5° |
| C25 | C26 | H26A | 108.4° | 109.4° |
| C25 | C26 | H26B | 108.4° | 109.5° |
| C29 | C28 | N27 | 110.5° | 109.5° |
| C28 | C29 | C30 | 110.0° | 109.3° |
| C29 | C28 | H28A | 109.2° | 109.4° |
| C29 | C28 | H28B | 109.2° | 109.5° |
| C28 | C29 | H29A | 109.3° | 109.5° |
| C28 | C29 | H29B | 109.4° | 109.5° |
| C28 | N27 | C26 | 111.7° | 111.0° |
| C28 | N27 | C37 | 110.4° | 111.2° |
| N27 | C28 | H28A | 109.2° | 109.5° |
| N27 | C28 | H28B | 109.2° | 109.5° |
| C26 | N27 | C37 | 110.1° | 111.0° |
| N27 | C26 | H26A | 108.4° | 109.5° |
| N27 | C26 | H26B | 108.4° | 109.5° |
| C29 | C30 | C31 | 111.7° | 109.5° |
| C29 | C30 | C36 | 108.9° | 109.1° |
| C30 | C29 | H29A | 109.3° | 109.5° |
| C30 | C29 | H29B | 109.3° | 109.5° |
| C29 | C30 | H30 | 108.3° | 109.5° |
| N27 | C37 | C36 | 110.7° | 109.5° |
| N27 | C37 | H37A | 109.2° | 109.5° |
| N27 | C37 | H37B | 109.1° | 109.5° |
| C31 | C30 | C36 | 111.3° | 109.5° |
| C30 | C31 | N32 | 112.3° | 109.5° |
| C31 | C30 | H30 | 108.3° | 109.5° |
| C30 | C31 | H31B | 108.8° | 109.5° |
| C30 | C31 | H31A | 108.7° | 109.5° |
| C30 | C36 | C37 | 109.8° | 109.3° |
| C36 | C30 | H30 | 108.3° | 109.6° |
| C30 | C36 | H36B | 109.4° | 109.5° |
| C30 | C36 | H36A | 109.4° | 109.5° |
| C37 | C36 | H36B | 109.4° | 109.5° |
| C37 | C36 | H36A | 109.4° | 109.5° |
| C36 | C37 | H37A | 109.1° | 109.4° |
| C36 | C37 | H37B | 109.2° | 109.5° |
| C31 | N32 | C33 | 122.7° | 120.0° |
| N32 | C31 | H31B | 108.8° | 109.5° |
| N32 | C31 | H31A | 108.8° | 109.5° |
| C31 | N32 | H32 | 118.6° | 120.0° |
| N32 | C33 | O35 | 121.8° | 120.0° |
| N32 | C33 | C34 | 116.2° | 120.0° |
| C33 | N32 | H32 | 118.7° | 120.0° |
| O35 | C33 | C34 | 122.0° | 120.0° |
| C33 | C34 | H34A | 109.5° | 109.5° |
| C33 | C34 | H34C | 109.5° | 109.4° |
| C33 | C34 | H34B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H14B | C14 | H14A | 109.5° | 109.5° |
| H23B | C23 | H23A | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.4° | 109.5° |
| H31B | C31 | H31A | 109.5° | 109.5° |
| H34A | C34 | H34C | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H34C | C34 | H34B | 109.4° | 109.4° |
| H36B | C36 | H36A | 109.5° | 109.6° |
| H37A | C37 | H37B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C20 | C21 | H20 | 180.0° | 179.4° |
| C20 | N19 | C18 | C17 | 0.1° | 0.0° |
| N19 | C20 | C21 | C16 | 0.2° | 0.6° |
| N19 | C20 | C21 | H21 | 179.9° | 179.5° |
| C20 | N19 | C18 | H18 | 180.0° | 180.0° |
| C18 | N19 | C20 | C21 | 0.0° | 0.3° |
| N19 | C18 | C17 | H18 | 180.0° | 180.0° |
| N19 | C18 | C17 | C16 | 0.2° | 0.0° |
| N19 | C18 | C17 | H17 | 179.8° | 179.7° |
| C18 | N19 | C20 | H20 | 180.0° | 179.7° |
| C20 | C21 | C16 | H21 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 0.3° | 0.5° |
| C20 | C21 | C16 | N15 | 176.0° | 179.4° |
| C18 | C17 | C16 | C21 | 0.3° | 0.2° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C18 | C17 | C16 | N15 | 176.0° | 179.7° |
| C21 | C16 | C17 | N15 | 176.3° | 179.9° |
| C21 | C16 | N15 | C14 | 9.9° | 0.1° |
| C21 | C16 | N15 | C22 | 147.0° | 123.8° |
| C21 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C21 | C20 | H20 | 179.9° | 180.0° |
| C17 | C16 | N15 | C14 | 166.2° | 180.0° |
| C17 | C16 | N15 | C22 | 29.1° | 56.2° |
| C17 | C16 | C21 | H21 | 179.7° | 179.5° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C16 | N15 | C14 | C22 | 138.1° | 123.9° |
| C16 | N15 | C14 | C13 | 148.7° | 176.8° |
| C16 | N15 | C22 | C23 | 163.1° | 176.8° |
| N15 | C16 | C17 | H17 | 4.0° | 0.1° |
| N15 | C16 | C21 | H21 | 4.0° | 0.5° |
| C16 | N15 | C22 | H22A | 42.8° | 63.2° |
| C16 | N15 | C22 | H22B | 76.6° | 56.8° |
| C16 | N15 | C14 | H14B | 28.5° | 56.8° |
| C16 | N15 | C14 | H14A | 91.2° | 63.3° |
| N15 | C14 | C13 | H14B | 120.2° | 120.0° |
| N15 | C14 | C13 | H14A | 120.2° | 119.9° |
| C14 | N15 | C22 | C23 | 58.5° | 59.3° |
| N15 | C14 | C13 | N12 | 50.9° | 58.4° |
| N15 | C14 | C13 | H13A | 69.0° | 61.6° |
| N15 | C14 | C13 | H13B | 170.7° | 178.4° |
| C14 | N15 | C22 | H22A | 178.8° | 60.7° |
| C14 | N15 | C22 | H22B | 61.8° | 179.3° |
| N15 | C14 | H14B | H14A | 119.5° | 120.0° |
| C13 | C14 | N15 | C22 | 10.6° | 59.3° |
| C14 | C13 | N12 | H13A | 119.8° | 119.9° |
| C14 | C13 | N12 | H13B | 119.8° | 120.0° |
| C14 | C13 | N12 | C23 | 66.8° | 59.3° |
| C14 | C13 | N12 | C11 | 168.3° | 64.5° |
| C14 | C13 | H13A | H13B | 120.5° | 120.1° |
| C13 | C14 | H14B | H14A | 119.4° | 120.1° |
| N15 | C22 | C23 | H22A | 120.3° | 120.0° |
| N15 | C22 | C23 | H22B | 120.3° | 120.0° |
| N15 | C22 | C23 | N12 | 41.7° | 58.4° |
| N15 | C22 | H22A | H22B | 119.1° | 120.0° |
| C22 | N15 | C14 | H14B | 109.6° | 179.3° |
| C22 | N15 | C14 | H14A | 130.8° | 60.7° |
| N15 | C22 | C23 | H23B | 78.5° | 178.4° |
| N15 | C22 | C23 | H23A | 161.9° | 61.6° |
| C22 | C23 | N12 | C13 | 19.1° | 59.3° |
| C22 | C23 | N12 | H23B | 120.2° | 120.0° |
| C22 | C23 | N12 | H23A | 120.2° | 120.0° |
| C22 | C23 | N12 | C11 | 143.4° | 64.5° |
| C23 | C22 | H22A | H22B | 119.1° | 120.1° |
| C22 | C23 | H23B | H23A | 119.3° | 120.0° |
| C13 | N12 | C23 | C11 | 124.3° | 123.9° |
| C13 | N12 | C11 | C10 | 176.2° | 66.2° |
| N12 | C13 | H13A | H13B | 120.5° | 120.1° |
| C13 | N12 | C11 | H11A | 63.2° | 53.8° |
| C13 | N12 | C11 | H11B | 55.5° | 173.8° |
| N12 | C13 | C14 | H14B | 171.1° | 178.4° |
| N12 | C13 | C14 | H14A | 69.3° | 61.6° |
| C13 | N12 | C23 | H23B | 139.3° | 179.3° |
| C13 | N12 | C23 | H23A | 101.1° | 60.6° |
| C23 | N12 | C11 | C10 | 60.0° | 170.0° |
| C23 | N12 | C13 | H13A | 53.1° | 60.6° |
| C23 | N12 | C13 | H13B | 173.4° | 179.3° |
| N12 | C23 | C22 | H22A | 162.0° | 61.6° |
| N12 | C23 | C22 | H22B | 78.6° | 178.4° |
| C23 | N12 | C11 | H11A | 60.6° | 70.0° |
| C23 | N12 | C11 | H11B | 179.3° | 50.0° |
| N12 | C23 | H23B | H23A | 119.3° | 120.1° |
| N12 | C11 | C10 | H11A | 120.7° | 120.0° |
| N12 | C11 | C10 | H11B | 120.7° | 119.9° |
| N12 | C11 | C10 | C9 | 25.3° | 90.2° |
| N12 | C11 | C10 | C24 | 158.3° | 90.0° |
| C11 | N12 | C13 | H13A | 71.9° | 175.5° |
| C11 | N12 | C13 | H13B | 48.5° | 55.4° |
| N12 | C11 | H11A | H11B | 118.0° | 119.9° |
| C11 | N12 | C23 | H23B | 96.4° | 55.5° |
| C11 | N12 | C23 | H23A | 23.1° | 175.5° |
| CL5 | C4 | C6 | C3 | 179.6° | 179.7° |
| CL5 | C4 | C6 | C7 | 179.5° | 179.7° |
| CL5 | C4 | C3 | C2 | 179.5° | 179.7° |
| CL5 | C4 | C6 | H6 | 0.5° | 0.2° |
| CL5 | C4 | C3 | H3 | 0.5° | 0.3° |
| C11 | C10 | C9 | C24 | 176.4° | 179.8° |
| C11 | C10 | C9 | C8 | 176.1° | 179.7° |
| C11 | C10 | C24 | C25 | 176.1° | 180.0° |
| C11 | C10 | C24 | H24 | 3.9° | 0.0° |
| C10 | C11 | H11A | H11B | 117.9° | 120.1° |
| C11 | C10 | C9 | H9 | 4.0° | 0.2° |
| C4 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C6 | C7 | C8 | 177.0° | 179.9° |
| C4 | C6 | C7 | C39 | 0.2° | 0.0° |
| C6 | C4 | C3 | H3 | 179.9° | 180.0° |
| C3 | C4 | C6 | C7 | 0.1° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C39 | 0.1° | 0.0° |
| C4 | C3 | C2 | CL1 | 178.7° | 180.0° |
| C3 | C4 | C6 | H6 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 36.1° | 0.4° |
| C6 | C7 | C8 | C39 | 177.2° | 179.9° |
| C6 | C7 | C8 | C38 | 146.9° | 180.0° |
| C6 | C7 | C39 | C2 | 0.2° | 0.0° |
| C6 | C7 | C39 | H39 | 179.8° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 176.7° | 180.0° |
| C10 | C9 | C8 | C38 | 0.3° | 0.3° |
| C9 | C10 | C24 | C25 | 0.3° | 0.2° |
| C9 | C10 | C24 | H24 | 179.7° | 179.7° |
| C9 | C10 | C11 | H11A | 146.0° | 29.8° |
| C9 | C10 | C11 | H11B | 95.3° | 149.8° |
| C8 | C9 | C10 | C24 | 0.3° | 0.1° |
| C9 | C8 | C7 | C38 | 177.0° | 179.6° |
| C9 | C8 | C7 | C39 | 141.1° | 179.7° |
| C9 | C8 | C38 | C25 | 0.3° | 0.3° |
| C9 | C8 | C38 | H38 | 179.6° | 179.7° |
| C10 | C24 | C25 | H24 | 180.0° | 180.0° |
| C10 | C24 | C25 | C38 | 0.3° | 0.2° |
| C10 | C24 | C25 | C26 | 178.0° | 180.0° |
| C24 | C10 | C11 | H11A | 37.7° | 150.0° |
| C24 | C10 | C11 | H11B | 81.0° | 29.9° |
| C24 | C10 | C9 | H9 | 179.7° | 180.0° |
| C3 | C2 | C39 | C7 | 0.2° | 0.1° |
| C3 | C2 | C39 | CL1 | 178.8° | 179.9° |
| C3 | C2 | C39 | H39 | 179.8° | 180.0° |
| C8 | C7 | C39 | C2 | 177.0° | 180.0° |
| C7 | C8 | C38 | C25 | 176.7° | 179.9° |
| C8 | C7 | C6 | H6 | 3.0° | 0.0° |
| C7 | C8 | C38 | H38 | 3.3° | 0.0° |
| C8 | C7 | C39 | H39 | 3.0° | 0.1° |
| C7 | C8 | C9 | H9 | 3.3° | 0.1° |
| C39 | C7 | C8 | C38 | 35.9° | 0.1° |
| C7 | C39 | C2 | H39 | 180.0° | 179.9° |
| C7 | C39 | C2 | CL1 | 178.6° | 180.0° |
| C39 | C7 | C6 | H6 | 179.8° | 180.0° |
| C8 | C38 | C25 | C24 | 0.3° | 0.0° |
| C8 | C38 | C25 | H38 | 180.0° | 180.0° |
| C8 | C38 | C25 | C26 | 177.9° | 179.7° |
| C38 | C8 | C9 | H9 | 179.6° | 179.8° |
| C24 | C25 | C38 | C26 | 178.3° | 179.7° |
| C24 | C25 | C26 | N27 | 92.9° | 90.0° |
| C24 | C25 | C26 | H26A | 146.5° | 150.0° |
| C24 | C25 | C26 | H26B | 27.7° | 30.0° |
| C24 | C25 | C38 | H38 | 179.7° | 180.0° |
| C39 | C2 | C3 | H3 | 179.9° | 180.0° |
| CL1 | C2 | C3 | H3 | 1.3° | 0.0° |
| CL1 | C2 | C39 | H39 | 1.4° | 0.1° |
| C38 | C25 | C26 | N27 | 85.3° | 89.7° |
| C38 | C25 | C24 | H24 | 179.7° | 179.7° |
| C38 | C25 | C26 | H26A | 35.3° | 30.3° |
| C38 | C25 | C26 | H26B | 154.1° | 150.3° |
| C25 | C26 | N27 | C28 | 60.5° | 170.0° |
| C25 | C26 | N27 | H26A | 120.6° | 120.0° |
| C25 | C26 | N27 | H26B | 120.6° | 120.0° |
| C25 | C26 | N27 | C37 | 176.4° | 65.7° |
| C26 | C25 | C24 | H24 | 2.0° | 0.0° |
| C25 | C26 | H26A | H26B | 118.1° | 120.0° |
| C26 | C25 | C38 | H38 | 2.1° | 0.3° |
| C29 | C28 | N27 | H28A | 120.1° | 120.0° |
| C29 | C28 | N27 | H28B | 120.2° | 120.1° |
| C29 | C28 | N27 | C26 | 179.4° | 174.2° |
| C28 | C29 | C30 | H29A | 120.1° | 119.9° |
| C28 | C29 | C30 | H29B | 120.1° | 120.0° |
| C29 | C28 | N27 | C37 | 57.7° | 61.8° |
| C28 | C29 | C30 | C31 | 177.9° | 177.6° |
| C28 | C29 | C30 | C36 | 58.7° | 57.7° |
| C29 | C28 | H28A | H28B | 119.5° | 119.9° |
| C28 | C29 | H29A | H29B | 119.8° | 120.1° |
| C28 | C29 | C30 | H30 | 58.8° | 62.3° |
| C28 | N27 | C26 | C37 | 123.1° | 124.2° |
| N27 | C28 | C29 | C30 | 58.3° | 59.2° |
| C28 | N27 | C37 | C36 | 58.3° | 61.7° |
| C28 | N27 | C26 | H26A | 178.9° | 70.0° |
| C28 | N27 | C26 | H26B | 60.1° | 50.0° |
| N27 | C28 | H28A | H28B | 119.6° | 120.0° |
| N27 | C28 | C29 | H29A | 178.5° | 179.1° |
| N27 | C28 | C29 | H29B | 61.7° | 60.7° |
| C28 | N27 | C37 | H37A | 178.4° | 58.2° |
| C28 | N27 | C37 | H37B | 61.9° | 178.2° |
| C26 | N27 | C37 | C36 | 177.9° | 174.2° |
| N27 | C26 | H26A | H26B | 118.1° | 120.0° |
| C26 | N27 | C28 | H28A | 59.2° | 54.2° |
| C26 | N27 | C28 | H28B | 60.5° | 65.8° |
| C26 | N27 | C37 | H37A | 57.7° | 65.9° |
| C26 | N27 | C37 | H37B | 61.9° | 54.1° |
| C29 | C30 | C31 | C36 | 122.0° | 119.6° |
| C29 | C30 | C31 | H30 | 119.1° | 120.1° |
| C29 | C30 | C36 | H30 | 117.5° | 119.9° |
| C29 | C30 | C36 | C37 | 59.0° | 57.6° |
| C29 | C30 | C31 | N32 | 172.7° | 175.0° |
| C30 | C29 | C28 | H28A | 178.5° | 179.2° |
| C30 | C29 | C28 | H28B | 61.8° | 60.9° |
| C30 | C29 | H29A | H29B | 119.7° | 120.1° |
| C29 | C30 | C31 | H31B | 52.2° | 55.0° |
| C29 | C30 | C31 | H31A | 66.9° | 65.0° |
| C29 | C30 | C36 | H36B | 179.1° | 177.5° |
| C29 | C30 | C36 | H36A | 61.0° | 62.3° |
| N27 | C37 | C36 | C30 | 59.2° | 59.2° |
| N27 | C37 | C36 | H37A | 120.2° | 120.0° |
| N27 | C37 | C36 | H37B | 120.2° | 120.1° |
| C37 | N27 | C26 | H26A | 55.8° | 54.2° |
| C37 | N27 | C26 | H26B | 63.0° | 174.3° |
| C37 | N27 | C28 | H28A | 177.8° | 178.3° |
| C37 | N27 | C28 | H28B | 62.5° | 58.3° |
| N27 | C37 | C36 | H36B | 179.2° | 179.1° |
| N27 | C37 | C36 | H36A | 60.8° | 60.8° |
| N27 | C37 | H37A | H37B | 119.4° | 120.0° |
| C31 | C30 | C36 | H30 | 118.9° | 120.2° |
| C31 | C30 | C36 | C37 | 177.4° | 177.5° |
| C30 | C31 | N32 | H31B | 120.4° | 120.0° |
| C30 | C31 | N32 | H31A | 120.4° | 120.0° |
| C30 | C31 | N32 | C33 | 169.8° | 180.0° |
| C31 | C30 | C29 | H29A | 57.8° | 62.5° |
| C31 | C30 | C29 | H29B | 62.0° | 57.6° |
| C30 | C31 | H31B | H31A | 118.7° | 120.0° |
| C31 | C30 | C36 | H36B | 57.3° | 62.6° |
| C31 | C30 | C36 | H36A | 62.6° | 57.6° |
| C30 | C31 | N32 | H32 | 10.2° | 0.0° |
| C30 | C36 | C37 | H36B | 120.0° | 119.9° |
| C30 | C36 | C37 | H36A | 120.0° | 120.0° |
| C36 | C30 | C31 | N32 | 65.3° | 65.3° |
| C36 | C30 | C29 | H29A | 178.8° | 177.6° |
| C36 | C30 | C29 | H29B | 61.4° | 62.3° |
| C36 | C30 | C31 | H31B | 174.3° | 174.7° |
| C36 | C30 | C31 | H31A | 55.1° | 54.6° |
| C30 | C36 | H36B | H36A | 119.9° | 120.1° |
| C30 | C36 | C37 | H37A | 179.4° | 60.8° |
| C30 | C36 | C37 | H37B | 61.0° | 179.2° |
| C37 | C36 | C30 | H30 | 58.5° | 62.3° |
| C37 | C36 | H36B | H36A | 119.9° | 120.0° |
| C36 | C37 | H37A | H37B | 119.4° | 119.9° |
| C31 | N32 | C33 | H32 | 180.0° | 180.0° |
| C31 | N32 | C33 | O35 | 0.9° | 0.0° |
| C31 | N32 | C33 | C34 | 179.6° | 180.0° |
| N32 | C31 | C30 | H30 | 53.6° | 54.9° |
| N32 | C31 | H31B | H31A | 118.7° | 120.0° |
| N32 | C33 | O35 | C34 | 179.5° | 180.0° |
| C33 | N32 | C31 | H31B | 69.7° | 60.0° |
| C33 | N32 | C31 | H31A | 49.4° | 60.0° |
| N32 | C33 | C34 | H34A | 179.5° | 60.0° |
| N32 | C33 | C34 | H34C | 59.5° | 180.0° |
| N32 | C33 | C34 | H34B | 60.5° | 60.0° |
| O35 | C33 | C34 | H34A | 0.0° | 120.0° |
| O35 | C33 | C34 | H34C | 120.0° | 0.0° |
| O35 | C33 | C34 | H34B | 120.0° | 119.9° |
| O35 | C33 | N32 | H32 | 179.0° | 180.0° |
| C33 | C34 | H34A | H34C | 120.0° | 120.0° |
| C33 | C34 | H34A | H34B | 120.0° | 120.1° |
| C33 | C34 | H34C | H34B | 120.0° | 120.0° |
| C34 | C33 | N32 | H32 | 0.5° | 0.0° |
| H13A | C13 | C14 | H14B | 51.2° | 58.4° |
| H13A | C13 | C14 | H14A | 170.8° | 178.5° |
| H13B | C13 | C14 | H14B | 69.1° | 61.6° |
| H13B | C13 | C14 | H14A | 50.5° | 58.4° |
| H17 | C17 | C18 | H18 | 0.2° | 0.3° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| H22A | C22 | C23 | H23B | 41.8° | 58.4° |
| H22A | C22 | C23 | H23A | 77.8° | 178.5° |
| H22B | C22 | C23 | H23B | 161.2° | 61.6° |
| H22B | C22 | C23 | H23A | 41.7° | 58.4° |
| H28A | C28 | C29 | H29A | 61.4° | 60.9° |
| H28A | C28 | C29 | H29B | 58.4° | 59.2° |
| H28B | C28 | C29 | H29A | 58.3° | 59.0° |
| H28B | C28 | C29 | H29B | 178.1° | 179.2° |
| H29A | C29 | C30 | H30 | 61.3° | 57.6° |
| H29B | C29 | C30 | H30 | 178.9° | 177.7° |
| H30 | C30 | C31 | H31B | 66.9° | 65.1° |
| H30 | C30 | C31 | H31A | 174.0° | 174.9° |
| H30 | C30 | C36 | H36B | 61.6° | 57.6° |
| H30 | C30 | C36 | H36A | 178.5° | 177.8° |
| H31B | C31 | N32 | H32 | 110.3° | 120.0° |
| H31A | C31 | N32 | H32 | 130.6° | 120.0° |
| H34A | C34 | H34C | H34B | 120.0° | 120.0° |
| H36B | C36 | C37 | H37A | 60.6° | 59.1° |
| H36B | C36 | C37 | H37B | 59.1° | 60.8° |
| H36A | C36 | C37 | H37A | 59.4° | 179.2° |
| H36A | C36 | C37 | H37B | 179.0° | 59.3° |
