A1B20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| O27 | C21 | doub | 1.22Å | 1.25Å | |
| C34 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N20 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| O30 | C11 | doub | 1.21Å | 1.24Å | |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| N13 | C14 | sing | 1.35Å | 1.35Å | |
| N13 | C12 | sing | 1.46Å | 1.45Å | |
| C29 | C32 | sing | 1.51Å | 1.50Å | |
| C29 | C12 | sing | 1.53Å | 1.55Å | |
| C21 | N20 | sing | 1.35Å | 1.38Å | |
| C21 | N22 | sing | 1.35Å | 1.36Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | O28 | doub | 1.21Å | 1.24Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | N10 | sing | 1.35Å | 1.35Å | |
| C26 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | N22 | sing | 1.47Å | 1.48Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C5 | C4 | sing | 1.55Å | 1.54Å | |
| C37 | CL39 | sing | 1.74Å | 1.73Å | |
| C37 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.47Å | 1.46Å | |
| N10 | C2 | sing | 1.47Å | 1.47Å | |
| C33 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N31 | C1 | doub | 1.28Å | 1.28Å | |
| C35 | CL38 | sing | 1.74Å | 1.76Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C8 | sing | 1.51Å | 1.53Å | |
| N7 | C8 | sing | 1.34Å | 1.35Å | |
| C8 | O9 | doub | 1.21Å | 1.24Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| N13 | H36 | sing | 0.97Å | 1.00Å | |
| N20 | H37 | sing | 0.97Å | 1.00Å | |
| N22 | H38 | sing | 0.97Å | 1.00Å | |
| N31 | H39 | sing | 0.97Å | 1.00Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C16 | C17 | 109.6° | 109.5° |
| C18 | C16 | C15 | 109.1° | 109.5° |
| C18 | C16 | C19 | 108.2° | 109.5° |
| C16 | C18 | H6 | 109.5° | 109.4° |
| C16 | C18 | H7 | 109.4° | 109.5° |
| C16 | C18 | H8 | 109.5° | 109.5° |
| C17 | C16 | C15 | 112.0° | 109.5° |
| C17 | C16 | C19 | 109.1° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.4° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C16 | C17 | H5 | 109.5° | 109.5° |
| C15 | C16 | C19 | 108.9° | 109.4° |
| C16 | C15 | N20 | 111.2° | 109.5° |
| C16 | C15 | C14 | 113.5° | 109.5° |
| C16 | C15 | H1 | 106.9° | 109.4° |
| C16 | C19 | H18 | 109.5° | 109.5° |
| C16 | C19 | H19 | 109.4° | 109.4° |
| C16 | C19 | H20 | 109.5° | 109.4° |
| O27 | C21 | N20 | 121.2° | 120.0° |
| O27 | C21 | N22 | 124.6° | 120.0° |
| C36 | C34 | C32 | 120.3° | 120.0° |
| C34 | C36 | C37 | 119.8° | 120.0° |
| C36 | C34 | H33 | 119.9° | 120.0° |
| C34 | C36 | H34 | 120.1° | 120.0° |
| C34 | C32 | C29 | 121.2° | 120.0° |
| C34 | C32 | C33 | 119.3° | 120.0° |
| C32 | C34 | H33 | 119.8° | 120.0° |
| N20 | C15 | C14 | 109.5° | 109.5° |
| C15 | N20 | C21 | 119.0° | 120.0° |
| N20 | C15 | H1 | 108.3° | 109.5° |
| C15 | N20 | H37 | 120.5° | 120.0° |
| C15 | C14 | N13 | 116.2° | 120.0° |
| C15 | C14 | O28 | 121.4° | 120.0° |
| C14 | C15 | H1 | 107.2° | 109.5° |
| O30 | C11 | C12 | 120.5° | 120.0° |
| O30 | C11 | N10 | 121.6° | 120.0° |
| C36 | C37 | CL39 | 118.7° | 120.0° |
| C36 | C37 | C35 | 120.2° | 120.0° |
| C37 | C36 | H34 | 120.1° | 120.0° |
| C24 | C23 | C26 | 110.7° | 109.5° |
| C24 | C23 | N22 | 110.9° | 109.4° |
| C24 | C23 | C25 | 109.5° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C23 | C24 | H22 | 109.5° | 109.4° |
| C23 | C24 | H23 | 109.5° | 109.5° |
| C14 | N13 | C12 | 122.5° | 120.0° |
| N13 | C14 | O28 | 122.4° | 120.0° |
| C14 | N13 | H36 | 118.7° | 120.0° |
| N13 | C12 | C29 | 110.7° | 109.4° |
| N13 | C12 | C11 | 112.5° | 109.5° |
| N13 | C12 | H2 | 108.5° | 109.4° |
| C12 | N13 | H36 | 118.8° | 120.0° |
| C32 | C29 | C12 | 106.8° | 109.5° |
| C29 | C32 | C33 | 119.3° | 120.0° |
| C32 | C29 | H30 | 110.1° | 109.5° |
| C32 | C29 | H31 | 110.1° | 109.4° |
| C29 | C12 | C11 | 110.0° | 109.5° |
| C29 | C12 | H2 | 107.3° | 109.5° |
| C12 | C29 | H30 | 110.1° | 109.5° |
| C12 | C29 | H31 | 110.1° | 109.5° |
| N20 | C21 | N22 | 114.2° | 120.0° |
| C21 | N20 | H37 | 120.5° | 120.0° |
| C21 | N22 | C23 | 126.2° | 120.0° |
| C21 | N22 | H38 | 116.9° | 120.0° |
| C32 | C33 | C35 | 120.5° | 120.0° |
| C32 | C33 | H32 | 119.8° | 120.0° |
| C12 | C11 | N10 | 117.9° | 120.0° |
| C11 | C12 | H2 | 107.5° | 109.5° |
| C11 | N10 | C2 | 128.2° | 120.0° |
| C11 | N10 | H35 | 115.9° | 120.0° |
| C26 | C23 | N22 | 110.6° | 109.5° |
| C26 | C23 | C25 | 109.3° | 109.5° |
| C23 | C26 | H27 | 109.5° | 109.5° |
| C23 | C26 | H28 | 109.5° | 109.5° |
| C23 | C26 | H29 | 109.5° | 109.4° |
| N22 | C23 | C25 | 105.8° | 109.5° |
| C23 | N22 | H38 | 116.9° | 120.0° |
| C23 | C25 | H24 | 109.5° | 109.4° |
| C23 | C25 | H25 | 109.5° | 109.5° |
| C23 | C25 | H26 | 109.4° | 109.5° |
| C6 | C5 | C4 | 105.0° | 101.7° |
| C5 | C6 | N7 | 103.1° | 105.5° |
| C6 | C5 | H9 | 110.6° | 111.0° |
| C6 | C5 | H10 | 110.6° | 111.0° |
| C5 | C6 | H11 | 111.0° | 110.3° |
| C5 | C6 | H12 | 111.1° | 110.3° |
| C5 | C4 | C3 | 117.4° | 110.5° |
| C5 | C4 | C8 | 103.6° | 104.2° |
| C4 | C5 | H9 | 110.6° | 111.0° |
| C4 | C5 | H10 | 110.6° | 110.9° |
| C5 | C4 | H13 | 107.9° | 110.5° |
| CL39 | C37 | C35 | 121.1° | 120.0° |
| C37 | C35 | C33 | 119.8° | 119.9° |
| C37 | C35 | CL38 | 121.7° | 120.0° |
| C6 | N7 | C8 | 114.7° | 111.3° |
| N7 | C6 | H11 | 111.0° | 110.2° |
| N7 | C6 | H12 | 111.0° | 110.1° |
| C6 | N7 | H40 | 122.7° | 124.3° |
| N10 | C2 | C1 | 105.1° | 109.5° |
| N10 | C2 | C3 | 110.8° | 109.5° |
| N10 | C2 | H16 | 109.9° | 109.5° |
| C2 | N10 | H35 | 115.9° | 120.0° |
| C33 | C35 | CL38 | 118.4° | 120.0° |
| C35 | C33 | H32 | 119.7° | 120.0° |
| C1 | C2 | C3 | 112.7° | 109.5° |
| C2 | C1 | N31 | 119.3° | 120.0° |
| C1 | C2 | H16 | 109.1° | 109.5° |
| C2 | C1 | H17 | 120.3° | 120.0° |
| C2 | C3 | C4 | 112.4° | 109.5° |
| C2 | C3 | H14 | 108.7° | 109.5° |
| C2 | C3 | H15 | 108.7° | 109.5° |
| C3 | C2 | H16 | 109.1° | 109.5° |
| N31 | C1 | H17 | 120.3° | 120.0° |
| C1 | N31 | H39 | 112.0° | 120.0° |
| C3 | C4 | C8 | 111.4° | 110.5° |
| C3 | C4 | H13 | 108.1° | 110.5° |
| C4 | C3 | H14 | 108.8° | 109.4° |
| C4 | C3 | H15 | 108.7° | 109.5° |
| C4 | C8 | N7 | 108.3° | 110.1° |
| C4 | C8 | O9 | 126.1° | 124.9° |
| C8 | C4 | H13 | 108.1° | 110.4° |
| N7 | C8 | O9 | 125.6° | 124.9° |
| C8 | N7 | H40 | 122.6° | 124.4° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.4° |
| H6 | C18 | H8 | 109.4° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 111.0° |
| H11 | C6 | H12 | 109.5° | 110.3° |
| H14 | C3 | H15 | 109.4° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.4° | 109.4° |
| H21 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H26 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.4° | 109.5° |
| H27 | C26 | H29 | 109.5° | 109.4° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C16 | C17 | C15 | 121.2° | 120.0° |
| C18 | C16 | C17 | C19 | 118.2° | 120.0° |
| C18 | C16 | C15 | C19 | 117.8° | 120.1° |
| C18 | C16 | C15 | N20 | 64.2° | 59.9° |
| C18 | C16 | C15 | C14 | 171.8° | 179.9° |
| C18 | C16 | C15 | H1 | 53.8° | 60.1° |
| C18 | C16 | C17 | H3 | 180.0° | 59.2° |
| C18 | C16 | C17 | H4 | 60.0° | 60.8° |
| C18 | C16 | C17 | H5 | 60.0° | 179.2° |
| C16 | C18 | H6 | H7 | 120.0° | 120.0° |
| C16 | C18 | H6 | H8 | 120.0° | 120.0° |
| C16 | C18 | H7 | H8 | 120.0° | 120.0° |
| C18 | C16 | C19 | H18 | 180.0° | 180.0° |
| C18 | C16 | C19 | H19 | 60.0° | 60.0° |
| C18 | C16 | C19 | H20 | 60.0° | 60.0° |
| C17 | C16 | C15 | C19 | 120.7° | 120.0° |
| C17 | C16 | C15 | N20 | 174.3° | 179.9° |
| C17 | C16 | C15 | C14 | 50.3° | 60.1° |
| C17 | C16 | C15 | H1 | 67.7° | 59.9° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C17 | C16 | C18 | H6 | 180.0° | 180.0° |
| C17 | C16 | C18 | H7 | 60.0° | 60.0° |
| C17 | C16 | C18 | H8 | 60.0° | 60.0° |
| C17 | C16 | C19 | H18 | 60.9° | 60.0° |
| C17 | C16 | C19 | H19 | 59.1° | 60.0° |
| C17 | C16 | C19 | H20 | 179.1° | 180.0° |
| C16 | C15 | N20 | C14 | 126.2° | 120.0° |
| C16 | C15 | N20 | H1 | 117.2° | 120.0° |
| C16 | C15 | C14 | H1 | 117.8° | 120.0° |
| C16 | C15 | C14 | N13 | 97.7° | 83.5° |
| C16 | C15 | N20 | C21 | 130.5° | 84.9° |
| C16 | C15 | C14 | O28 | 81.9° | 96.2° |
| C15 | C16 | C17 | H3 | 58.8° | 60.8° |
| C15 | C16 | C17 | H4 | 61.2° | 179.2° |
| C15 | C16 | C17 | H5 | 178.8° | 59.2° |
| C15 | C16 | C18 | H6 | 57.1° | 60.0° |
| C15 | C16 | C18 | H7 | 177.1° | 180.0° |
| C15 | C16 | C18 | H8 | 62.9° | 60.0° |
| C15 | C16 | C19 | H18 | 61.6° | 60.0° |
| C15 | C16 | C19 | H19 | 178.4° | 180.0° |
| C15 | C16 | C19 | H20 | 58.4° | 60.1° |
| C16 | C15 | N20 | H37 | 49.4° | 95.0° |
| C19 | C16 | C15 | N20 | 53.6° | 60.2° |
| C19 | C16 | C15 | C14 | 70.4° | 59.9° |
| C19 | C16 | C15 | H1 | 171.6° | 179.8° |
| C19 | C16 | C17 | H3 | 61.8° | 179.3° |
| C19 | C16 | C17 | H4 | 178.2° | 59.3° |
| C19 | C16 | C17 | H5 | 58.2° | 60.8° |
| C19 | C16 | C18 | H6 | 61.2° | 60.0° |
| C19 | C16 | C18 | H7 | 58.8° | 60.0° |
| C19 | C16 | C18 | H8 | 178.8° | 180.0° |
| C16 | C19 | H18 | H19 | 120.0° | 120.0° |
| C16 | C19 | H18 | H20 | 120.0° | 120.0° |
| C16 | C19 | H19 | H20 | 120.0° | 119.9° |
| O27 | C21 | N20 | C15 | 12.3° | 0.0° |
| O27 | C21 | N20 | N22 | 179.8° | 179.9° |
| O27 | C21 | N22 | C23 | 5.7° | 0.1° |
| O27 | C21 | N20 | H37 | 167.7° | 180.0° |
| O27 | C21 | N22 | H38 | 174.3° | 180.0° |
| C36 | C34 | C32 | H33 | 180.0° | 180.0° |
| C34 | C36 | C37 | H34 | 180.0° | 180.0° |
| C36 | C34 | C32 | C29 | 177.7° | 179.9° |
| C36 | C34 | C32 | C33 | 2.9° | 0.3° |
| C34 | C36 | C37 | CL39 | 179.6° | 180.0° |
| C34 | C36 | C37 | C35 | 0.2° | 0.3° |
| C32 | C34 | C36 | C37 | 1.3° | 0.0° |
| C34 | C32 | C29 | C33 | 174.8° | 179.7° |
| C34 | C32 | C29 | C12 | 98.5° | 90.3° |
| C34 | C32 | C33 | C35 | 2.9° | 0.3° |
| C34 | C32 | C29 | H30 | 141.9° | 149.7° |
| C34 | C32 | C29 | H31 | 21.1° | 29.7° |
| C34 | C32 | C33 | H32 | 177.1° | 179.8° |
| C32 | C34 | C36 | H34 | 178.7° | 180.0° |
| N20 | C15 | C14 | H1 | 117.3° | 120.0° |
| N20 | C15 | C14 | N13 | 137.4° | 156.5° |
| C15 | N20 | C21 | H37 | 180.0° | 179.9° |
| C15 | N20 | C21 | N22 | 167.5° | 180.0° |
| N20 | C15 | C14 | O28 | 43.1° | 23.8° |
| C15 | C14 | N13 | O28 | 179.6° | 179.7° |
| C15 | C14 | N13 | C12 | 172.1° | 175.1° |
| C14 | C15 | N20 | C21 | 103.2° | 155.0° |
| C15 | C14 | N13 | H36 | 7.9° | 4.9° |
| C14 | C15 | N20 | H37 | 76.8° | 25.0° |
| O30 | C11 | C12 | N13 | 89.3° | 0.0° |
| O30 | C11 | C12 | C29 | 34.6° | 120.0° |
| O30 | C11 | C12 | N10 | 179.5° | 179.9° |
| O30 | C11 | N10 | C2 | 4.8° | 0.1° |
| O30 | C11 | C12 | H2 | 151.3° | 120.0° |
| O30 | C11 | N10 | H35 | 175.2° | 180.0° |
| C36 | C37 | CL39 | C35 | 179.4° | 179.7° |
| C36 | C37 | C35 | C33 | 0.1° | 0.3° |
| C36 | C37 | C35 | CL38 | 179.8° | 179.8° |
| C37 | C36 | C34 | H33 | 178.7° | 180.0° |
| C24 | C23 | N22 | C21 | 68.1° | 180.0° |
| C24 | C23 | C26 | N22 | 123.3° | 120.0° |
| C24 | C23 | C26 | C25 | 120.6° | 120.0° |
| C24 | C23 | N22 | C25 | 118.6° | 120.0° |
| C23 | C24 | H21 | H22 | 120.0° | 120.0° |
| C23 | C24 | H21 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H23 | 120.0° | 120.0° |
| C24 | C23 | C25 | H24 | 180.0° | 60.0° |
| C24 | C23 | C25 | H25 | 60.0° | 60.0° |
| C24 | C23 | C25 | H26 | 60.0° | 179.9° |
| C24 | C23 | C26 | H27 | 180.0° | 180.0° |
| C24 | C23 | C26 | H28 | 60.0° | 59.9° |
| C24 | C23 | C26 | H29 | 60.0° | 60.0° |
| C24 | C23 | N22 | H38 | 111.9° | 0.1° |
| C14 | N13 | C12 | H36 | 180.0° | 180.0° |
| C14 | N13 | C12 | C29 | 143.7° | 84.9° |
| C14 | N13 | C12 | C11 | 92.8° | 155.0° |
| N13 | C14 | C15 | H1 | 20.1° | 36.5° |
| C14 | N13 | C12 | H2 | 26.1° | 35.0° |
| N13 | C12 | C29 | C32 | 68.2° | 65.0° |
| N13 | C12 | C29 | C11 | 125.0° | 120.0° |
| N13 | C12 | C29 | H2 | 118.3° | 119.9° |
| C12 | N13 | C14 | O28 | 8.4° | 5.2° |
| N13 | C12 | C11 | H2 | 119.4° | 120.0° |
| N13 | C12 | C11 | N10 | 91.1° | 179.9° |
| N13 | C12 | C29 | H30 | 172.2° | 55.1° |
| N13 | C12 | C29 | H31 | 51.4° | 175.0° |
| C32 | C29 | C12 | H30 | 119.6° | 120.1° |
| C32 | C29 | C12 | H31 | 119.6° | 120.0° |
| C32 | C29 | C12 | C11 | 166.8° | 175.0° |
| C29 | C32 | C33 | C35 | 177.9° | 180.0° |
| C32 | C29 | C12 | H2 | 50.1° | 54.9° |
| C32 | C29 | H30 | H31 | 121.2° | 119.9° |
| C29 | C32 | C33 | H32 | 2.1° | 0.1° |
| C29 | C32 | C34 | H33 | 2.3° | 0.0° |
| C12 | C29 | C32 | C33 | 76.4° | 90.1° |
| C29 | C12 | C11 | H2 | 116.6° | 120.0° |
| C29 | C12 | C11 | N10 | 144.9° | 60.1° |
| C12 | C29 | H30 | H31 | 121.2° | 120.0° |
| C29 | C12 | N13 | H36 | 36.3° | 95.0° |
| N20 | C21 | N22 | C23 | 174.5° | 180.0° |
| C21 | N20 | C15 | H1 | 13.4° | 35.0° |
| N20 | C21 | N22 | H38 | 5.5° | 0.1° |
| C21 | N22 | C23 | C26 | 55.1° | 59.9° |
| C21 | N22 | C23 | H38 | 180.0° | 179.9° |
| C21 | N22 | C23 | C25 | 173.3° | 60.1° |
| N22 | C21 | N20 | H37 | 12.5° | 0.1° |
| C32 | C33 | C35 | C37 | 1.4° | 0.0° |
| C32 | C33 | C35 | H32 | 180.0° | 179.9° |
| C32 | C33 | C35 | CL38 | 178.7° | 179.9° |
| C33 | C32 | C29 | H30 | 43.2° | 30.0° |
| C33 | C32 | C29 | H31 | 164.0° | 149.9° |
| C33 | C32 | C34 | H33 | 177.1° | 179.7° |
| O28 | C14 | C15 | H1 | 160.3° | 143.9° |
| O28 | C14 | N13 | H36 | 171.7° | 174.8° |
| C12 | C11 | N10 | C2 | 175.7° | 180.0° |
| C11 | C12 | C29 | H30 | 47.2° | 64.9° |
| C11 | C12 | C29 | H31 | 73.6° | 55.0° |
| C12 | C11 | N10 | H35 | 4.3° | 0.1° |
| C11 | C12 | N13 | H36 | 87.3° | 25.0° |
| C11 | N10 | C2 | H35 | 180.0° | 179.9° |
| C11 | N10 | C2 | C1 | 79.3° | 85.9° |
| C11 | N10 | C2 | C3 | 158.6° | 154.1° |
| N10 | C11 | C12 | H2 | 28.3° | 59.9° |
| C11 | N10 | C2 | H16 | 38.0° | 34.1° |
| C26 | C23 | N22 | C25 | 118.2° | 120.0° |
| C26 | C23 | C24 | H21 | 180.0° | 60.0° |
| C26 | C23 | C24 | H22 | 60.0° | 60.0° |
| C26 | C23 | C24 | H23 | 60.0° | 180.0° |
| C26 | C23 | C25 | H24 | 58.6° | 180.0° |
| C26 | C23 | C25 | H25 | 178.6° | 60.0° |
| C26 | C23 | C25 | H26 | 61.4° | 60.1° |
| C23 | C26 | H27 | H28 | 120.0° | 120.0° |
| C23 | C26 | H27 | H29 | 120.0° | 119.9° |
| C23 | C26 | H28 | H29 | 120.0° | 120.0° |
| C26 | C23 | N22 | H38 | 124.9° | 119.9° |
| N22 | C23 | C24 | H21 | 56.9° | 60.0° |
| N22 | C23 | C24 | H22 | 63.1° | 180.0° |
| N22 | C23 | C24 | H23 | 176.9° | 60.0° |
| N22 | C23 | C25 | H24 | 60.5° | 59.9° |
| N22 | C23 | C25 | H25 | 59.5° | 180.0° |
| N22 | C23 | C25 | H26 | 179.5° | 60.0° |
| N22 | C23 | C26 | H27 | 56.7° | 60.0° |
| N22 | C23 | C26 | H28 | 176.7° | 179.9° |
| N22 | C23 | C26 | H29 | 63.3° | 60.0° |
| C25 | C23 | C24 | H21 | 59.5° | 180.0° |
| C25 | C23 | C24 | H22 | 179.5° | 60.0° |
| C25 | C23 | C24 | H23 | 60.5° | 60.0° |
| C23 | C25 | H24 | H25 | 120.0° | 120.0° |
| C23 | C25 | H24 | H26 | 120.0° | 119.9° |
| C23 | C25 | H25 | H26 | 120.0° | 120.1° |
| C25 | C23 | C26 | H27 | 59.3° | 60.0° |
| C25 | C23 | C26 | H28 | 60.6° | 60.1° |
| C25 | C23 | C26 | H29 | 179.4° | 180.0° |
| C25 | C23 | N22 | H38 | 6.6° | 120.1° |
| C6 | C5 | C4 | H9 | 119.3° | 118.1° |
| C6 | C5 | C4 | H10 | 119.3° | 118.1° |
| C5 | C6 | N7 | H11 | 119.0° | 119.0° |
| C5 | C6 | N7 | H12 | 119.0° | 119.0° |
| C6 | C5 | C4 | C3 | 145.0° | 143.6° |
| C6 | C5 | C4 | C8 | 21.7° | 24.9° |
| C5 | C6 | N7 | C8 | 14.4° | 16.8° |
| C6 | C5 | H9 | H10 | 122.1° | 123.8° |
| C5 | C6 | H11 | H12 | 123.0° | 122.0° |
| C6 | C5 | C4 | H13 | 92.7° | 93.7° |
| C5 | C6 | N7 | H40 | 165.6° | 163.0° |
| C4 | C5 | C6 | N7 | 21.8° | 25.4° |
| C5 | C4 | C3 | C2 | 71.8° | 65.1° |
| C5 | C4 | C3 | C8 | 119.2° | 114.8° |
| C5 | C4 | C3 | H13 | 122.2° | 122.6° |
| C5 | C4 | C8 | H13 | 114.3° | 118.7° |
| C5 | C4 | C8 | N7 | 13.7° | 16.5° |
| C5 | C4 | C8 | O9 | 165.9° | 163.8° |
| C4 | C5 | H9 | H10 | 122.1° | 123.8° |
| C4 | C5 | C6 | H11 | 140.8° | 144.4° |
| C4 | C5 | C6 | H12 | 97.2° | 93.5° |
| C5 | C4 | C3 | H14 | 167.8° | 54.9° |
| C5 | C4 | C3 | H15 | 48.7° | 174.9° |
| CL39 | C37 | C35 | C33 | 179.5° | 180.0° |
| CL39 | C37 | C35 | CL38 | 0.4° | 0.0° |
| CL39 | C37 | C36 | H34 | 0.4° | 0.0° |
| C37 | C35 | C33 | CL38 | 179.9° | 180.0° |
| C37 | C35 | C33 | H32 | 178.5° | 180.0° |
| C35 | C37 | C36 | H34 | 179.8° | 179.7° |
| C6 | N7 | C8 | C4 | 0.5° | 0.1° |
| C6 | N7 | C8 | H40 | 180.0° | 179.8° |
| C6 | N7 | C8 | O9 | 179.9° | 179.6° |
| N7 | C6 | C5 | H9 | 141.1° | 143.5° |
| N7 | C6 | C5 | H10 | 97.5° | 92.7° |
| N7 | C6 | H11 | H12 | 122.9° | 121.9° |
| N10 | C2 | C1 | C3 | 120.8° | 120.0° |
| N10 | C2 | C1 | H16 | 117.8° | 120.0° |
| N10 | C2 | C3 | H16 | 121.1° | 120.0° |
| N10 | C2 | C1 | N31 | 141.2° | 0.0° |
| N10 | C2 | C3 | C4 | 59.0° | 63.3° |
| N10 | C2 | C3 | H14 | 61.5° | 176.8° |
| N10 | C2 | C3 | H15 | 179.5° | 56.7° |
| N10 | C2 | C1 | H17 | 38.8° | 180.0° |
| C1 | C2 | C3 | H16 | 121.3° | 120.0° |
| C2 | C1 | N31 | H17 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 176.5° | 176.8° |
| C1 | C2 | C3 | H14 | 56.1° | 56.8° |
| C1 | C2 | C3 | H15 | 63.0° | 63.2° |
| C1 | C2 | N10 | H35 | 100.7° | 94.0° |
| C2 | C1 | N31 | H39 | 180.0° | 180.0° |
| C3 | C2 | C1 | N31 | 97.9° | 120.0° |
| C2 | C3 | C4 | H14 | 120.5° | 120.0° |
| C2 | C3 | C4 | H15 | 120.5° | 120.0° |
| C2 | C3 | C4 | C8 | 169.0° | 179.9° |
| C2 | C3 | C4 | H13 | 50.5° | 57.5° |
| C2 | C3 | H14 | H15 | 118.7° | 120.1° |
| C3 | C2 | C1 | H17 | 82.1° | 60.1° |
| C3 | C2 | N10 | H35 | 21.4° | 26.0° |
| N31 | C1 | C2 | H16 | 23.4° | 119.9° |
| CL38 | C35 | C33 | H32 | 1.4° | 0.0° |
| C3 | C4 | C8 | H13 | 118.6° | 122.6° |
| C3 | C4 | C8 | N7 | 140.8° | 135.2° |
| C3 | C4 | C8 | O9 | 38.8° | 45.1° |
| C3 | C4 | C5 | H9 | 95.7° | 98.3° |
| C3 | C4 | C5 | H10 | 25.7° | 25.5° |
| C4 | C3 | H14 | H15 | 118.7° | 120.0° |
| C4 | C3 | C2 | H16 | 62.1° | 56.7° |
| C4 | C8 | N7 | O9 | 179.6° | 179.7° |
| C8 | C4 | C5 | H9 | 141.0° | 143.0° |
| C8 | C4 | C5 | H10 | 97.6° | 93.2° |
| C8 | C4 | C3 | H14 | 48.6° | 59.9° |
| C8 | C4 | C3 | H15 | 70.5° | 60.1° |
| C4 | C8 | N7 | H40 | 179.5° | 179.7° |
| C8 | N7 | C6 | H11 | 133.4° | 135.8° |
| C8 | N7 | C6 | H12 | 104.6° | 102.2° |
| N7 | C8 | C4 | H13 | 100.6° | 102.2° |
| O9 | C8 | C4 | H13 | 79.8° | 77.5° |
| O9 | C8 | N7 | H40 | 0.1° | 0.6° |
| H1 | C15 | N20 | H37 | 166.6° | 145.1° |
| H2 | C12 | C29 | H30 | 69.5° | 175.0° |
| H2 | C12 | C29 | H31 | 169.7° | 65.0° |
| H2 | C12 | N13 | H36 | 153.9° | 145.0° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H9 | C5 | C6 | H11 | 100.0° | 97.5° |
| H9 | C5 | C6 | H12 | 22.1° | 24.5° |
| H9 | C5 | C4 | H13 | 26.6° | 24.3° |
| H10 | C5 | C6 | H11 | 21.5° | 26.3° |
| H10 | C5 | C6 | H12 | 143.5° | 148.4° |
| H10 | C5 | C4 | H13 | 148.0° | 148.2° |
| H11 | C6 | N7 | H40 | 46.6° | 43.9° |
| H12 | C6 | N7 | H40 | 75.4° | 78.1° |
| H13 | C4 | C3 | H14 | 70.0° | 177.5° |
| H13 | C4 | C3 | H15 | 170.9° | 62.5° |
| H14 | C3 | C2 | H16 | 177.4° | 63.2° |
| H15 | C3 | C2 | H16 | 58.3° | 176.7° |
| H16 | C2 | C1 | H17 | 156.6° | 60.0° |
| H16 | C2 | N10 | H35 | 142.0° | 146.0° |
| H17 | C1 | N31 | H39 | 0.0° | 0.0° |
| H18 | C19 | H19 | H20 | 120.0° | 120.1° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
| H27 | C26 | H28 | H29 | 120.0° | 120.0° |
| H33 | C34 | C36 | H34 | 1.3° | 0.0° |
