73R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C1 | sing | 1.40Å | 1.37Å | Aromatic |
| N6 | C1 | doub | 1.34Å | 1.38Å | Aromatic |
| N6 | C5 | sing | 1.31Å | 1.34Å | Aromatic |
| C9 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.42Å | 1.44Å | Aromatic |
| C5 | N4 | doub | 1.32Å | 1.31Å | Aromatic |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | sing | 1.53Å | 1.58Å | |
| F32 | CAP | sing | 1.40Å | 1.36Å | |
| C12 | CAP | sing | 1.51Å | 1.53Å | |
| C12 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| N4 | C3 | sing | 1.33Å | 1.31Å | Aromatic |
| C2 | C3 | doub | 1.42Å | 1.44Å | Aromatic |
| C2 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | C31 | sing | 1.53Å | 1.52Å | |
| CAP | F33 | sing | 1.40Å | 1.36Å | |
| CAP | F34 | sing | 1.40Å | 1.34Å | |
| C3 | N7 | sing | 1.38Å | 1.48Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C31 | C26 | sing | 1.53Å | 1.51Å | |
| C42 | C40 | sing | 1.53Å | 1.53Å | |
| N7 | C14 | sing | 1.46Å | 1.47Å | |
| C18 | C17 | sing | 1.54Å | 1.56Å | |
| C18 | C14 | sing | 1.55Å | 1.47Å | |
| N38 | C29 | sing | 1.47Å | 1.45Å | |
| N38 | C40 | sing | 1.47Å | 1.47Å | |
| N38 | C39 | sing | 1.47Å | 1.45Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.48Å | |
| C17 | N16 | sing | 1.47Å | 1.53Å | |
| N16 | C26 | sing | 1.46Å | 1.47Å | |
| N16 | C15 | sing | 1.34Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.45Å | |
| C15 | O24 | doub | 1.21Å | 1.22Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| N7 | H10 | sing | 0.97Å | 1.00Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C1 | 121.0° | 119.6° |
| C8 | C9 | C12 | 120.4° | 121.0° |
| C9 | C8 | H2 | 119.5° | 120.2° |
| C8 | C9 | H3 | 119.8° | 119.5° |
| C8 | C1 | N6 | 121.7° | 122.0° |
| C8 | C1 | C2 | 119.9° | 119.3° |
| C1 | C8 | H2 | 119.5° | 120.2° |
| C1 | N6 | C5 | 121.1° | 120.4° |
| N6 | C1 | C2 | 118.4° | 118.7° |
| N6 | C5 | N4 | 121.4° | 123.0° |
| N6 | C5 | H1 | 119.3° | 118.5° |
| C9 | C12 | CAP | 119.5° | 119.5° |
| C9 | C12 | C13 | 120.0° | 120.9° |
| C12 | C9 | H3 | 119.8° | 119.5° |
| C1 | C2 | C3 | 115.4° | 118.2° |
| C1 | C2 | C13 | 118.5° | 119.7° |
| C5 | N4 | C3 | 122.7° | 121.5° |
| N4 | C5 | H1 | 119.3° | 118.5° |
| C37 | C36 | C35 | 109.6° | 109.5° |
| C37 | C36 | H22 | 109.4° | 109.5° |
| C37 | C36 | H23 | 109.5° | 109.5° |
| C36 | C37 | H24 | 109.5° | 109.5° |
| C36 | C37 | H25 | 109.5° | 109.5° |
| C36 | C37 | H26 | 109.5° | 109.5° |
| C36 | C35 | C31 | 109.0° | 109.5° |
| C36 | C35 | H20 | 109.6° | 109.5° |
| C36 | C35 | H21 | 109.6° | 109.5° |
| C35 | C36 | H22 | 109.5° | 109.5° |
| C35 | C36 | H23 | 109.4° | 109.5° |
| F32 | CAP | C12 | 109.3° | 109.5° |
| F32 | CAP | F33 | 109.3° | 109.5° |
| F32 | CAP | F34 | 109.3° | 109.5° |
| CAP | C12 | C13 | 120.5° | 119.5° |
| C12 | CAP | F33 | 109.6° | 109.5° |
| C12 | CAP | F34 | 109.8° | 109.5° |
| C12 | C13 | C2 | 120.2° | 119.5° |
| C12 | C13 | H4 | 119.9° | 120.2° |
| N4 | C3 | C2 | 121.0° | 118.2° |
| N4 | C3 | N7 | 121.0° | 120.9° |
| C3 | C2 | C13 | 126.1° | 122.1° |
| C2 | C3 | N7 | 118.0° | 120.9° |
| C2 | C13 | H4 | 119.9° | 120.3° |
| C35 | C31 | C30 | 110.1° | 109.4° |
| C35 | C31 | C26 | 109.8° | 109.5° |
| C35 | C31 | H19 | 108.1° | 109.5° |
| C31 | C35 | H20 | 109.6° | 109.5° |
| C31 | C35 | H21 | 109.6° | 109.4° |
| F33 | CAP | F34 | 109.5° | 109.5° |
| C3 | N7 | C14 | 124.6° | 120.0° |
| C3 | N7 | H10 | 105.6° | 120.0° |
| C31 | C30 | C29 | 114.7° | 109.5° |
| C30 | C31 | C26 | 112.5° | 109.5° |
| C31 | C30 | H17 | 108.1° | 109.5° |
| C31 | C30 | H18 | 108.1° | 109.5° |
| C30 | C31 | H19 | 108.1° | 109.5° |
| C30 | C29 | N38 | 107.3° | 109.5° |
| C30 | C29 | C28 | 110.3° | 109.5° |
| C30 | C29 | H16 | 108.8° | 109.5° |
| C29 | C30 | H17 | 108.2° | 109.5° |
| C29 | C30 | H18 | 108.2° | 109.5° |
| C31 | C26 | N16 | 115.3° | 109.4° |
| C31 | C26 | C27 | 112.1° | 109.5° |
| C31 | C26 | H11 | 104.9° | 109.5° |
| C26 | C31 | H19 | 108.2° | 109.4° |
| C42 | C40 | N38 | 110.9° | 109.5° |
| C42 | C40 | C41 | 110.1° | 109.5° |
| C42 | C40 | H31 | 107.4° | 109.5° |
| C40 | C42 | H35 | 109.5° | 109.5° |
| C40 | C42 | H36 | 109.5° | 109.5° |
| C40 | C42 | H37 | 109.5° | 109.5° |
| N7 | C14 | C18 | 111.4° | 110.6° |
| N7 | C14 | C15 | 114.3° | 110.5° |
| N7 | C14 | H5 | 109.9° | 110.4° |
| C14 | N7 | H10 | 105.6° | 120.0° |
| C17 | C18 | C14 | 111.2° | 101.8° |
| C18 | C17 | N16 | 95.3° | 105.5° |
| C18 | C17 | H6 | 112.9° | 110.3° |
| C18 | C17 | H7 | 112.9° | 110.3° |
| C17 | C18 | H8 | 109.0° | 111.0° |
| C17 | C18 | H9 | 109.0° | 111.0° |
| C18 | C14 | C15 | 101.0° | 104.2° |
| C18 | C14 | H5 | 109.9° | 110.5° |
| C14 | C18 | H8 | 109.0° | 110.9° |
| C14 | C18 | H9 | 109.0° | 111.0° |
| C29 | N38 | C40 | 114.0° | 111.0° |
| C29 | N38 | C39 | 114.0° | 111.0° |
| N38 | C29 | C28 | 112.1° | 109.5° |
| N38 | C29 | H16 | 109.7° | 109.4° |
| C40 | N38 | C39 | 111.0° | 111.0° |
| N38 | C40 | C41 | 112.0° | 109.5° |
| N38 | C40 | H31 | 108.3° | 109.5° |
| N38 | C39 | H28 | 109.5° | 109.5° |
| N38 | C39 | H29 | 109.4° | 109.5° |
| N38 | C39 | H30 | 109.5° | 109.5° |
| C29 | C28 | C27 | 118.1° | 109.5° |
| C29 | C28 | H14 | 107.3° | 109.5° |
| C29 | C28 | H15 | 107.3° | 109.5° |
| C28 | C29 | H16 | 108.7° | 109.5° |
| C41 | C40 | H31 | 108.0° | 109.5° |
| C40 | C41 | H32 | 109.5° | 109.5° |
| C40 | C41 | H33 | 109.4° | 109.4° |
| C40 | C41 | H34 | 109.5° | 109.5° |
| C17 | N16 | C26 | 128.8° | 124.4° |
| C17 | N16 | C15 | 110.9° | 111.3° |
| N16 | C17 | H6 | 112.9° | 110.2° |
| N16 | C17 | H7 | 112.9° | 110.2° |
| C26 | N16 | C15 | 120.3° | 124.4° |
| N16 | C26 | C27 | 112.9° | 109.5° |
| N16 | C26 | H11 | 105.4° | 109.5° |
| N16 | C15 | C14 | 109.8° | 110.1° |
| N16 | C15 | O24 | 124.5° | 124.9° |
| C26 | C27 | C28 | 110.2° | 109.5° |
| C27 | C26 | H11 | 105.0° | 109.5° |
| C26 | C27 | H12 | 109.3° | 109.5° |
| C26 | C27 | H13 | 109.3° | 109.5° |
| C14 | C15 | O24 | 125.7° | 125.0° |
| C15 | C14 | H5 | 110.0° | 110.4° |
| C28 | C27 | H12 | 109.3° | 109.4° |
| C28 | C27 | H13 | 109.3° | 109.5° |
| C27 | C28 | H14 | 107.3° | 109.5° |
| C27 | C28 | H15 | 107.2° | 109.4° |
| H6 | C17 | H7 | 109.5° | 110.2° |
| H8 | C18 | H9 | 109.4° | 110.8° |
| H12 | C27 | H13 | 109.5° | 109.4° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H17 | C30 | H18 | 109.5° | 109.5° |
| H20 | C35 | H21 | 109.4° | 109.4° |
| H22 | C36 | H23 | 109.4° | 109.5° |
| H24 | C37 | H25 | 109.5° | 109.4° |
| H24 | C37 | H26 | 109.5° | 109.4° |
| H25 | C37 | H26 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.4° | 109.5° |
| H28 | C39 | H30 | 109.5° | 109.4° |
| H29 | C39 | H30 | 109.5° | 109.4° |
| H32 | C41 | H33 | 109.5° | 109.5° |
| H32 | C41 | H34 | 109.5° | 109.5° |
| H33 | C41 | H34 | 109.5° | 109.5° |
| H35 | C42 | H36 | 109.4° | 109.5° |
| H35 | C42 | H37 | 109.5° | 109.4° |
| H36 | C42 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C1 | H2 | 180.0° | 179.9° |
| C9 | C8 | C1 | N6 | 179.9° | 179.8° |
| C8 | C9 | C12 | H3 | 180.0° | 179.9° |
| C9 | C8 | C1 | C2 | 0.1° | 0.0° |
| C8 | C9 | C12 | CAP | 179.9° | 180.0° |
| C8 | C9 | C12 | C13 | 0.2° | 0.0° |
| C8 | C1 | N6 | C2 | 180.0° | 179.7° |
| C8 | C1 | N6 | C5 | 179.9° | 179.8° |
| C1 | C8 | C9 | C12 | 0.1° | 0.1° |
| C8 | C1 | C2 | C3 | 180.0° | 180.0° |
| C8 | C1 | C2 | C13 | 0.0° | 0.0° |
| C1 | C8 | C9 | H3 | 179.8° | 180.0° |
| C1 | N6 | C5 | N4 | 0.1° | 0.5° |
| N6 | C1 | C2 | C3 | 0.0° | 0.2° |
| N6 | C1 | C2 | C13 | 180.0° | 179.7° |
| C1 | N6 | C5 | H1 | 179.9° | 179.7° |
| N6 | C1 | C8 | H2 | 0.1° | 0.3° |
| C5 | N6 | C1 | C2 | 0.0° | 0.5° |
| N6 | C5 | N4 | H1 | 180.0° | 179.7° |
| N6 | C5 | N4 | C3 | 0.1° | 0.2° |
| C9 | C12 | CAP | F32 | 12.5° | 120.0° |
| C9 | C12 | CAP | C13 | 179.9° | 180.0° |
| C9 | C12 | C13 | C2 | 0.1° | 0.0° |
| C9 | C12 | CAP | F33 | 132.2° | 0.0° |
| C9 | C12 | CAP | F34 | 107.5° | 120.0° |
| C12 | C9 | C8 | H2 | 179.9° | 180.0° |
| C9 | C12 | C13 | H4 | 179.9° | 180.0° |
| C1 | C2 | C13 | C12 | 0.1° | 0.0° |
| C1 | C2 | C3 | N4 | 0.0° | 0.0° |
| C1 | C2 | C3 | C13 | 180.0° | 180.0° |
| C1 | C2 | C3 | N7 | 179.9° | 180.0° |
| C2 | C1 | C8 | H2 | 179.9° | 180.0° |
| C1 | C2 | C13 | H4 | 179.9° | 180.0° |
| C5 | N4 | C3 | C2 | 0.1° | 0.0° |
| C5 | N4 | C3 | N7 | 179.9° | 180.0° |
| C37 | C36 | C35 | H22 | 120.0° | 120.0° |
| C37 | C36 | C35 | H23 | 120.1° | 120.0° |
| C37 | C36 | C35 | C31 | 118.8° | 180.0° |
| C37 | C36 | C35 | H20 | 1.2° | 60.0° |
| C37 | C36 | C35 | H21 | 121.3° | 60.0° |
| C37 | C36 | H22 | H23 | 120.0° | 120.0° |
| C36 | C37 | H24 | H25 | 120.0° | 120.0° |
| C36 | C37 | H24 | H26 | 120.0° | 120.0° |
| C36 | C37 | H25 | H26 | 120.0° | 120.0° |
| C36 | C35 | C31 | H20 | 119.9° | 120.1° |
| C36 | C35 | C31 | H21 | 119.9° | 120.0° |
| C36 | C35 | C31 | C30 | 113.6° | 65.0° |
| C36 | C35 | C31 | C26 | 122.0° | 175.0° |
| C36 | C35 | C31 | H19 | 4.2° | 55.0° |
| C36 | C35 | H20 | H21 | 120.2° | 120.0° |
| C35 | C36 | H22 | H23 | 119.9° | 120.0° |
| C35 | C36 | C37 | H24 | 180.0° | 180.0° |
| C35 | C36 | C37 | H25 | 60.0° | 60.0° |
| C35 | C36 | C37 | H26 | 60.0° | 60.1° |
| F32 | CAP | C12 | F33 | 119.8° | 120.0° |
| F32 | CAP | C12 | F34 | 119.9° | 120.0° |
| F32 | CAP | C12 | C13 | 167.5° | 60.0° |
| F32 | CAP | F33 | F34 | 119.7° | 120.0° |
| CAP | C12 | C13 | C2 | 180.0° | 180.0° |
| C12 | CAP | F33 | F34 | 120.5° | 120.0° |
| CAP | C12 | C9 | H3 | 0.1° | 0.0° |
| CAP | C12 | C13 | H4 | 0.0° | 0.0° |
| C12 | C13 | C2 | C3 | 179.9° | 180.0° |
| C12 | C13 | C2 | H4 | 180.0° | 180.0° |
| C13 | C12 | CAP | F33 | 47.7° | 180.0° |
| C13 | C12 | CAP | F34 | 72.6° | 60.0° |
| C13 | C12 | C9 | H3 | 179.8° | 179.9° |
| N4 | C3 | C2 | N7 | 180.0° | 180.0° |
| N4 | C3 | C2 | C13 | 179.9° | 180.0° |
| N4 | C3 | N7 | C14 | 12.0° | 0.0° |
| C3 | N4 | C5 | H1 | 179.9° | 180.0° |
| N4 | C3 | N7 | H10 | 134.0° | 180.0° |
| C2 | C3 | N7 | C14 | 168.0° | 180.0° |
| C3 | C2 | C13 | H4 | 0.1° | 0.0° |
| C2 | C3 | N7 | H10 | 46.0° | 0.0° |
| C13 | C2 | C3 | N7 | 0.1° | 0.0° |
| C35 | C31 | C30 | C26 | 122.7° | 120.0° |
| C35 | C31 | C30 | H19 | 117.9° | 120.0° |
| C35 | C31 | C30 | C29 | 177.0° | 180.0° |
| C35 | C31 | C26 | H19 | 117.8° | 120.0° |
| C35 | C31 | C26 | N16 | 48.3° | 60.0° |
| C35 | C31 | C26 | C27 | 179.4° | 180.0° |
| C35 | C31 | C26 | H11 | 67.2° | 60.0° |
| C35 | C31 | C30 | H17 | 56.3° | 60.0° |
| C35 | C31 | C30 | H18 | 62.2° | 60.0° |
| C31 | C35 | H20 | H21 | 120.2° | 119.9° |
| C31 | C35 | C36 | H22 | 121.2° | 60.0° |
| C31 | C35 | C36 | H23 | 1.3° | 60.0° |
| C3 | N7 | C14 | H10 | 122.0° | 180.0° |
| C3 | N7 | C14 | C18 | 69.1° | 156.9° |
| C3 | N7 | C14 | C15 | 44.7° | 88.2° |
| C3 | N7 | C14 | H5 | 168.9° | 34.2° |
| C31 | C30 | C29 | H17 | 120.7° | 120.0° |
| C31 | C30 | C29 | H18 | 120.8° | 120.0° |
| C30 | C31 | C26 | H19 | 119.4° | 120.0° |
| C31 | C30 | C29 | N38 | 168.6° | 180.0° |
| C31 | C30 | C29 | C28 | 46.3° | 60.0° |
| C30 | C31 | C26 | N16 | 74.6° | 60.0° |
| C30 | C31 | C26 | C27 | 56.5° | 60.0° |
| C30 | C31 | C26 | H11 | 169.9° | 180.0° |
| C31 | C30 | C29 | H16 | 72.9° | 60.0° |
| C31 | C30 | H17 | H18 | 117.6° | 120.0° |
| C30 | C31 | C35 | H20 | 126.4° | 55.1° |
| C30 | C31 | C35 | H21 | 6.3° | 175.0° |
| C29 | C30 | C31 | C26 | 54.3° | 60.0° |
| C30 | C29 | N38 | C28 | 121.2° | 120.0° |
| C30 | C29 | N38 | H16 | 118.0° | 120.0° |
| C30 | C29 | N38 | C40 | 129.1° | 164.5° |
| C30 | C29 | N38 | C39 | 102.0° | 71.6° |
| C30 | C29 | C28 | H16 | 119.2° | 120.0° |
| C30 | C29 | C28 | C27 | 43.7° | 60.0° |
| C30 | C29 | C28 | H14 | 77.5° | 180.0° |
| C30 | C29 | C28 | H15 | 165.0° | 60.0° |
| C29 | C30 | H17 | H18 | 117.7° | 120.0° |
| C29 | C30 | C31 | H19 | 65.1° | 60.0° |
| C31 | C26 | N16 | C17 | 67.0° | 119.9° |
| C31 | C26 | N16 | C27 | 130.7° | 120.0° |
| C31 | C26 | N16 | H11 | 115.2° | 120.0° |
| C31 | C26 | N16 | C15 | 114.2° | 60.2° |
| C31 | C26 | C27 | H11 | 113.4° | 120.0° |
| C31 | C26 | C27 | C28 | 51.1° | 59.9° |
| C31 | C26 | C27 | H12 | 69.0° | 60.0° |
| C31 | C26 | C27 | H13 | 171.3° | 180.0° |
| C26 | C31 | C30 | H17 | 66.4° | 180.0° |
| C26 | C31 | C30 | H18 | 175.1° | 60.0° |
| C26 | C31 | C35 | H20 | 2.1° | 65.0° |
| C26 | C31 | C35 | H21 | 118.0° | 55.0° |
| C42 | C40 | N38 | C29 | 52.4° | 60.0° |
| C42 | C40 | N38 | C41 | 123.4° | 120.0° |
| C42 | C40 | N38 | H31 | 117.6° | 120.0° |
| C42 | C40 | N38 | C39 | 177.2° | 176.1° |
| C42 | C40 | C41 | H31 | 117.0° | 120.0° |
| C42 | C40 | C41 | H32 | 180.0° | 60.0° |
| C42 | C40 | C41 | H33 | 60.0° | 60.0° |
| C42 | C40 | C41 | H34 | 60.0° | 180.0° |
| C40 | C42 | H35 | H36 | 120.0° | 120.0° |
| C40 | C42 | H35 | H37 | 120.0° | 120.0° |
| C40 | C42 | H36 | H37 | 120.0° | 120.0° |
| N7 | C14 | C18 | C17 | 156.3° | 143.5° |
| N7 | C14 | C18 | C15 | 121.8° | 118.7° |
| N7 | C14 | C18 | H5 | 122.0° | 122.6° |
| N7 | C14 | C15 | N16 | 140.1° | 135.1° |
| N7 | C14 | C15 | H5 | 124.2° | 122.5° |
| N7 | C14 | C15 | O24 | 40.3° | 44.9° |
| N7 | C14 | C18 | H8 | 36.0° | 98.3° |
| N7 | C14 | C18 | H9 | 83.4° | 25.4° |
| C17 | C18 | C14 | H8 | 120.3° | 118.1° |
| C17 | C18 | C14 | H9 | 120.3° | 118.2° |
| C18 | C17 | N16 | H6 | 117.6° | 119.0° |
| C18 | C17 | N16 | H7 | 117.6° | 119.1° |
| C18 | C17 | N16 | C26 | 162.4° | 162.9° |
| C18 | C17 | N16 | C15 | 18.8° | 17.0° |
| C17 | C18 | C14 | C15 | 34.5° | 24.8° |
| C17 | C18 | C14 | H5 | 81.7° | 93.8° |
| C18 | C17 | H6 | H7 | 126.7° | 122.0° |
| C17 | C18 | H8 | H9 | 119.2° | 123.8° |
| C14 | C18 | C17 | N16 | 33.0° | 25.4° |
| C18 | C14 | C15 | N16 | 20.4° | 16.2° |
| C18 | C14 | C15 | H5 | 116.1° | 118.7° |
| C18 | C14 | C15 | O24 | 160.1° | 163.7° |
| C14 | C18 | C17 | H6 | 84.6° | 93.6° |
| C14 | C18 | C17 | H7 | 150.6° | 144.5° |
| C14 | C18 | H8 | H9 | 119.2° | 123.8° |
| C18 | C14 | N7 | H10 | 168.9° | 23.1° |
| C29 | N38 | C40 | C39 | 130.4° | 123.9° |
| N38 | C29 | C28 | H16 | 121.4° | 120.0° |
| C29 | N38 | C40 | C41 | 71.0° | 179.9° |
| N38 | C29 | C28 | C27 | 163.2° | 180.0° |
| N38 | C29 | C28 | H14 | 41.9° | 60.0° |
| N38 | C29 | C28 | H15 | 75.6° | 60.0° |
| N38 | C29 | C30 | H17 | 47.8° | 60.0° |
| N38 | C29 | C30 | H18 | 70.7° | 60.0° |
| C29 | N38 | C39 | H28 | 180.0° | 70.4° |
| C29 | N38 | C39 | H29 | 60.0° | 169.6° |
| C29 | N38 | C39 | H30 | 60.0° | 49.6° |
| C29 | N38 | C40 | H31 | 170.0° | 60.0° |
| C40 | N38 | C29 | C28 | 109.6° | 75.5° |
| N38 | C40 | C41 | H31 | 119.1° | 120.0° |
| C40 | N38 | C29 | H16 | 11.2° | 44.5° |
| C40 | N38 | C39 | H28 | 49.6° | 165.7° |
| C40 | N38 | C39 | H29 | 70.4° | 45.6° |
| C40 | N38 | C39 | H30 | 169.6° | 74.4° |
| N38 | C40 | C41 | H32 | 56.2° | 60.0° |
| N38 | C40 | C41 | H33 | 176.2° | 180.0° |
| N38 | C40 | C41 | H34 | 63.8° | 60.0° |
| N38 | C40 | C42 | H35 | 180.0° | 60.0° |
| N38 | C40 | C42 | H36 | 60.0° | 60.0° |
| N38 | C40 | C42 | H37 | 60.0° | 180.0° |
| C39 | N38 | C29 | C28 | 19.2° | 48.4° |
| C39 | N38 | C40 | C41 | 59.4° | 56.0° |
| C39 | N38 | C29 | H16 | 140.0° | 168.4° |
| N38 | C39 | H28 | H29 | 120.0° | 120.1° |
| N38 | C39 | H28 | H30 | 120.0° | 120.0° |
| N38 | C39 | H29 | H30 | 120.0° | 120.0° |
| C39 | N38 | C40 | H31 | 59.6° | 63.9° |
| C29 | C28 | C27 | C26 | 47.0° | 60.0° |
| C29 | C28 | C27 | H14 | 121.3° | 120.0° |
| C29 | C28 | C27 | H15 | 121.3° | 120.0° |
| C29 | C28 | C27 | H12 | 73.1° | 60.0° |
| C29 | C28 | C27 | H13 | 167.1° | 180.0° |
| C29 | C28 | H14 | H15 | 116.1° | 120.1° |
| C28 | C29 | C30 | H17 | 74.5° | 180.0° |
| C28 | C29 | C30 | H18 | 167.0° | 60.0° |
| C40 | C41 | H32 | H33 | 120.0° | 120.0° |
| C40 | C41 | H32 | H34 | 120.0° | 120.0° |
| C40 | C41 | H33 | H34 | 120.0° | 120.0° |
| C41 | C40 | C42 | H35 | 55.5° | 60.0° |
| C41 | C40 | C42 | H36 | 175.5° | 180.0° |
| C41 | C40 | C42 | H37 | 64.5° | 60.0° |
| C17 | N16 | C26 | C15 | 178.8° | 179.9° |
| C17 | N16 | C26 | C27 | 63.7° | 120.1° |
| C17 | N16 | C15 | C14 | 0.0° | 0.4° |
| C17 | N16 | C15 | O24 | 179.5° | 179.7° |
| N16 | C17 | H6 | H7 | 126.6° | 121.9° |
| N16 | C17 | C18 | H8 | 87.3° | 143.5° |
| N16 | C17 | C18 | H9 | 153.3° | 92.8° |
| C17 | N16 | C26 | H11 | 177.8° | 0.1° |
| N16 | C26 | C27 | H11 | 114.4° | 120.0° |
| C26 | N16 | C15 | C14 | 179.0° | 179.5° |
| C26 | N16 | C15 | O24 | 0.6° | 0.4° |
| N16 | C26 | C27 | C28 | 81.1° | 60.0° |
| C26 | N16 | C17 | H6 | 80.0° | 78.1° |
| C26 | N16 | C17 | H7 | 44.8° | 43.9° |
| N16 | C26 | C27 | H12 | 158.7° | 180.0° |
| N16 | C26 | C27 | H13 | 39.0° | 60.0° |
| N16 | C26 | C31 | H19 | 166.1° | 180.0° |
| C15 | N16 | C26 | C27 | 115.1° | 59.8° |
| N16 | C15 | C14 | O24 | 179.5° | 179.9° |
| N16 | C15 | C14 | H5 | 95.7° | 102.5° |
| C15 | N16 | C17 | H6 | 98.8° | 102.0° |
| C15 | N16 | C17 | H7 | 136.4° | 136.1° |
| C15 | N16 | C26 | H11 | 0.9° | 179.9° |
| C26 | C27 | C28 | H12 | 120.1° | 120.0° |
| C26 | C27 | C28 | H13 | 120.1° | 120.1° |
| C26 | C27 | H12 | H13 | 119.6° | 120.0° |
| C26 | C27 | C28 | H14 | 74.3° | 180.0° |
| C26 | C27 | C28 | H15 | 168.2° | 60.1° |
| C27 | C26 | C31 | H19 | 62.9° | 60.0° |
| C15 | C14 | C18 | H8 | 85.8° | 142.9° |
| C15 | C14 | C18 | H9 | 154.8° | 93.4° |
| C15 | C14 | N7 | H10 | 77.4° | 91.7° |
| O24 | C15 | C14 | H5 | 83.8° | 77.6° |
| C28 | C27 | C26 | H11 | 164.5° | 180.0° |
| C28 | C27 | H12 | H13 | 119.7° | 120.0° |
| C27 | C28 | H14 | H15 | 116.0° | 119.9° |
| C27 | C28 | C29 | H16 | 75.5° | 60.0° |
| H2 | C8 | C9 | H3 | 0.2° | 0.1° |
| H5 | C14 | C18 | H8 | 158.1° | 24.3° |
| H5 | C14 | C18 | H9 | 38.6° | 148.0° |
| H5 | C14 | N7 | H10 | 46.9° | 145.8° |
| H6 | C17 | C18 | H8 | 155.1° | 24.5° |
| H6 | C17 | C18 | H9 | 35.7° | 148.3° |
| H7 | C17 | C18 | H8 | 30.3° | 97.4° |
| H7 | C17 | C18 | H9 | 89.1° | 26.3° |
| H11 | C26 | C27 | H12 | 44.4° | 60.0° |
| H11 | C26 | C27 | H13 | 75.4° | 60.0° |
| H11 | C26 | C31 | H19 | 50.6° | 60.0° |
| H12 | C27 | C28 | H14 | 165.6° | 60.0° |
| H12 | C27 | C28 | H15 | 48.1° | 180.0° |
| H13 | C27 | C28 | H14 | 45.8° | 59.9° |
| H13 | C27 | C28 | H15 | 71.7° | 60.0° |
| H14 | C28 | C29 | H16 | 163.3° | 60.0° |
| H15 | C28 | C29 | H16 | 45.8° | 180.0° |
| H16 | C29 | C30 | H17 | 166.4° | 60.0° |
| H16 | C29 | C30 | H18 | 47.9° | 180.0° |
| H17 | C30 | C31 | H19 | 174.2° | 60.0° |
| H18 | C30 | C31 | H19 | 55.7° | 180.0° |
| H19 | C31 | C35 | H20 | 115.7° | 175.0° |
| H19 | C31 | C35 | H21 | 124.2° | 65.0° |
| H20 | C35 | C36 | H22 | 118.8° | 180.0° |
| H20 | C35 | C36 | H23 | 121.2° | 60.0° |
| H21 | C35 | C36 | H22 | 1.3° | 60.0° |
| H21 | C35 | C36 | H23 | 118.6° | NaN° |
| H22 | C36 | C37 | H24 | 59.9° | 60.0° |
| H22 | C36 | C37 | H25 | 60.1° | 179.9° |
| H22 | C36 | C37 | H26 | 180.0° | 60.0° |
| H23 | C36 | C37 | H24 | 60.0° | 60.0° |
| H23 | C36 | C37 | H25 | NaN° | 60.0° |
| H23 | C36 | C37 | H26 | 60.0° | 180.0° |
| H24 | C37 | H25 | H26 | 120.0° | 120.0° |
| H28 | C39 | H29 | H30 | 120.0° | 119.9° |
| H31 | C40 | C41 | H32 | 63.0° | 180.0° |
| H31 | C40 | C41 | H33 | 57.0° | 60.0° |
| H31 | C40 | C41 | H34 | 177.0° | 60.0° |
| H31 | C40 | C42 | H35 | 61.9° | 180.0° |
| H31 | C40 | C42 | H36 | 58.1° | 60.0° |
| H31 | C40 | C42 | H37 | 178.1° | 60.1° |
| H32 | C41 | H33 | H34 | 120.0° | 120.0° |
| H35 | C42 | H36 | H37 | 120.0° | 120.0° |
