A1A16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | N37 | sing | 1.34Å | 1.37Å | Aromatic |
| C38 | C39 | doub | 1.35Å | 1.35Å | Aromatic |
| N37 | C36 | doub | 1.30Å | 1.31Å | Aromatic |
| C39 | N35 | sing | 1.37Å | 1.38Å | Aromatic |
| C36 | N35 | sing | 1.35Å | 1.34Å | Aromatic |
| N35 | C34 | sing | 1.46Å | 1.47Å | |
| C34 | C33 | sing | 1.51Å | 1.51Å | |
| F31 | C28 | sing | 1.40Å | 1.34Å | |
| C25 | C24 | sing | 1.53Å | 1.48Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| F29 | C28 | sing | 1.40Å | 1.32Å | |
| C28 | C27 | sing | 1.51Å | 1.48Å | |
| C28 | F30 | sing | 1.40Å | 1.37Å | |
| N26 | C27 | doub | 1.31Å | 1.31Å | Aromatic |
| N26 | N23 | sing | 1.40Å | 1.35Å | Aromatic |
| C27 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| N23 | C24 | sing | 1.47Å | 1.47Å | |
| N23 | C22 | sing | 1.35Å | 1.35Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.48Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.50Å | |
| C17 | O41 | doub | 1.22Å | 1.23Å | |
| C17 | N16 | sing | 1.35Å | 1.34Å | |
| N16 | C4 | sing | 1.46Å | 1.45Å | |
| O15 | C5 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | S12 | sing | 1.76Å | 1.70Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | N6 | sing | 1.35Å | 1.35Å | |
| C10 | C9 | sing | 1.52Å | 1.50Å | |
| C10 | C11 | doub | 1.35Å | 1.35Å | Aromatic |
| C9 | N6 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| S12 | C11 | sing | 1.76Å | 1.71Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.47Å | |
| C11 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| N16 | H20 | sing | 0.97Å | 1.00Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N37 | C38 | C39 | 110.5° | 108.0° |
| C38 | N37 | C36 | 104.8° | 109.3° |
| N37 | C38 | H29 | 124.8° | 126.0° |
| C38 | C39 | N35 | 106.0° | 106.8° |
| C39 | C38 | H29 | 124.8° | 126.0° |
| C38 | C39 | H30 | 127.0° | 126.6° |
| N37 | C36 | N35 | 112.2° | 108.7° |
| N37 | C36 | H28 | 123.9° | 125.7° |
| C39 | N35 | C36 | 106.6° | 107.2° |
| C39 | N35 | C34 | 126.6° | 126.4° |
| N35 | C39 | H30 | 127.0° | 126.6° |
| C36 | N35 | C34 | 126.9° | 126.4° |
| N35 | C36 | H28 | 123.9° | 125.6° |
| N35 | C34 | C33 | 112.2° | 109.5° |
| N35 | C34 | H26 | 108.8° | 109.5° |
| N35 | C34 | H27 | 108.8° | 109.5° |
| C34 | C33 | C32 | 121.0° | 119.8° |
| C34 | C33 | C40 | 119.7° | 119.9° |
| C33 | C34 | H26 | 108.8° | 109.4° |
| C33 | C34 | H27 | 108.8° | 109.5° |
| F31 | C28 | F29 | 101.9° | 109.5° |
| F31 | C28 | C27 | 111.0° | 109.5° |
| F31 | C28 | F30 | 110.6° | 109.4° |
| C25 | C24 | N23 | 113.3° | 109.5° |
| C25 | C24 | H8 | 108.5° | 109.4° |
| C25 | C24 | H9 | 108.5° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.4° |
| C24 | C25 | H23 | 109.4° | 109.4° |
| C24 | C25 | H24 | 109.5° | 109.5° |
| C33 | C32 | C20 | 120.8° | 120.2° |
| C32 | C33 | C40 | 119.2° | 120.3° |
| C33 | C32 | H25 | 119.6° | 119.9° |
| C32 | C20 | C21 | 120.4° | 120.1° |
| C32 | C20 | C19 | 119.6° | 119.9° |
| C20 | C32 | H25 | 119.6° | 119.9° |
| C33 | C40 | C18 | 120.6° | 120.1° |
| C33 | C40 | H31 | 119.7° | 120.0° |
| F29 | C28 | C27 | 112.3° | 109.5° |
| F29 | C28 | F30 | 109.8° | 109.4° |
| C27 | C28 | F30 | 110.9° | 109.4° |
| C28 | C27 | N26 | 117.8° | 126.0° |
| C28 | C27 | C21 | 129.7° | 125.9° |
| C27 | N26 | N23 | 104.4° | 108.6° |
| N26 | C27 | C21 | 112.5° | 108.1° |
| N26 | N23 | C24 | 119.6° | 125.9° |
| N26 | N23 | C22 | 112.7° | 108.2° |
| C27 | C21 | C22 | 103.9° | 107.5° |
| C27 | C21 | C20 | 130.7° | 126.2° |
| C24 | N23 | C22 | 127.4° | 125.8° |
| N23 | C24 | H8 | 108.5° | 109.4° |
| N23 | C24 | H9 | 108.5° | 109.5° |
| N23 | C22 | C21 | 106.5° | 107.6° |
| N23 | C22 | H7 | 126.7° | 126.3° |
| C22 | C21 | C20 | 125.4° | 126.3° |
| C21 | C22 | H7 | 126.7° | 126.1° |
| C21 | C20 | C19 | 120.0° | 120.1° |
| C20 | C19 | C18 | 119.9° | 119.7° |
| C20 | C19 | H21 | 120.1° | 120.2° |
| C40 | C18 | C19 | 119.9° | 119.8° |
| C40 | C18 | C17 | 117.0° | 120.1° |
| C18 | C40 | H31 | 119.7° | 119.9° |
| C19 | C18 | C17 | 122.9° | 120.1° |
| C18 | C19 | H21 | 120.0° | 120.1° |
| C18 | C17 | O41 | 120.6° | 120.0° |
| C18 | C17 | N16 | 117.0° | 120.0° |
| O41 | C17 | N16 | 122.3° | 120.0° |
| C17 | N16 | C4 | 122.0° | 120.0° |
| C17 | N16 | H20 | 119.0° | 120.1° |
| N16 | C4 | C5 | 106.0° | 109.5° |
| N16 | C4 | C3 | 110.7° | 109.5° |
| N16 | C4 | H1 | 108.9° | 109.5° |
| C4 | N16 | H20 | 119.0° | 120.0° |
| O15 | C5 | C4 | 119.1° | 119.9° |
| O15 | C5 | N6 | 121.6° | 120.0° |
| C13 | C14 | C10 | 112.4° | 115.6° |
| C14 | C13 | S12 | 112.1° | 109.7° |
| C14 | C13 | H6 | 123.9° | 125.1° |
| C13 | C14 | H19 | 123.8° | 122.2° |
| C14 | C10 | C9 | 125.6° | 123.6° |
| C14 | C10 | C11 | 112.7° | 113.8° |
| C10 | C14 | H19 | 123.8° | 122.2° |
| C13 | S12 | C11 | 91.8° | 91.1° |
| S12 | C13 | H6 | 123.9° | 125.2° |
| C4 | C5 | N6 | 119.4° | 120.0° |
| C5 | C4 | C3 | 115.2° | 109.4° |
| C5 | C4 | H1 | 107.9° | 109.5° |
| C5 | N6 | C9 | 120.4° | 120.9° |
| C5 | N6 | C7 | 125.3° | 120.9° |
| C9 | C10 | C11 | 121.7° | 122.6° |
| C10 | C9 | N6 | 111.9° | 107.8° |
| C10 | C9 | H17 | 108.9° | 109.8° |
| C10 | C9 | H18 | 108.9° | 109.8° |
| C10 | C11 | S12 | 111.0° | 109.8° |
| C10 | C11 | C8 | 124.5° | 125.0° |
| C9 | N6 | C7 | 114.2° | 118.2° |
| N6 | C9 | H17 | 108.9° | 110.0° |
| N6 | C9 | H18 | 108.9° | 109.6° |
| C4 | C3 | C2 | 116.2° | 109.5° |
| C3 | C4 | H1 | 108.0° | 109.5° |
| C4 | C3 | H15 | 107.8° | 109.5° |
| C4 | C3 | H16 | 107.8° | 109.5° |
| S12 | C11 | C8 | 124.4° | 125.1° |
| N6 | C7 | C8 | 111.9° | 108.7° |
| N6 | C7 | H2 | 108.9° | 109.6° |
| N6 | C7 | H3 | 108.9° | 109.6° |
| C11 | C8 | C7 | 108.3° | 109.1° |
| C11 | C8 | H4 | 109.8° | 109.5° |
| C11 | C8 | H5 | 109.8° | 109.6° |
| C8 | C7 | H2 | 108.9° | 109.6° |
| C8 | C7 | H3 | 108.8° | 109.6° |
| C7 | C8 | H4 | 109.7° | 109.5° |
| C7 | C8 | H5 | 109.7° | 109.5° |
| C3 | C2 | C1 | 112.1° | 109.5° |
| C3 | C2 | H13 | 108.8° | 109.5° |
| C3 | C2 | H14 | 108.8° | 109.5° |
| C2 | C3 | H15 | 107.7° | 109.4° |
| C2 | C3 | H16 | 107.8° | 109.4° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C1 | C2 | H13 | 108.8° | 109.5° |
| C1 | C2 | H14 | 108.8° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.6° |
| H4 | C8 | H5 | 109.5° | 109.6° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C2 | H14 | 109.5° | 109.4° |
| H15 | C3 | H16 | 109.5° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.8° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N37 | C38 | C39 | H29 | 180.0° | 179.7° |
| N37 | C38 | C39 | N35 | 0.1° | 0.4° |
| C38 | N37 | C36 | N35 | 0.1° | 0.0° |
| C38 | N37 | C36 | H28 | 179.9° | 179.9° |
| N37 | C38 | C39 | H30 | 179.8° | 180.0° |
| C39 | C38 | N37 | C36 | 0.0° | 0.3° |
| C38 | C39 | N35 | H30 | 180.0° | 179.6° |
| C38 | C39 | N35 | C36 | 0.1° | 0.4° |
| C38 | C39 | N35 | C34 | 178.1° | 179.8° |
| N37 | C36 | N35 | C39 | 0.1° | 0.2° |
| N37 | C36 | N35 | H28 | 180.0° | 180.0° |
| N37 | C36 | N35 | C34 | 178.1° | 180.0° |
| C36 | N37 | C38 | H29 | 179.9° | 180.0° |
| C39 | N35 | C36 | C34 | 178.2° | 179.8° |
| C39 | N35 | C34 | C33 | 60.3° | 90.3° |
| C39 | N35 | C34 | H26 | 179.3° | 149.7° |
| C39 | N35 | C34 | H27 | 60.1° | 29.7° |
| C39 | N35 | C36 | H28 | 179.9° | 179.8° |
| N35 | C39 | C38 | H29 | 179.9° | 179.8° |
| C36 | N35 | C34 | C33 | 121.8° | 90.0° |
| C36 | N35 | C34 | H26 | 1.4° | 30.0° |
| C36 | N35 | C34 | H27 | 117.7° | 150.0° |
| C36 | N35 | C39 | H30 | 179.8° | 180.0° |
| N35 | C34 | C33 | H26 | 120.4° | 120.0° |
| N35 | C34 | C33 | H27 | 120.4° | 120.0° |
| N35 | C34 | C33 | C32 | 96.7° | 90.0° |
| N35 | C34 | C33 | C40 | 78.9° | 90.0° |
| N35 | C34 | H26 | H27 | 118.7° | 120.0° |
| C34 | N35 | C36 | H28 | 1.9° | 0.0° |
| C34 | N35 | C39 | H30 | 2.0° | 0.2° |
| C34 | C33 | C32 | C40 | 175.7° | 180.0° |
| C34 | C33 | C32 | C20 | 175.1° | 180.0° |
| C34 | C33 | C40 | C18 | 175.3° | 179.7° |
| C34 | C33 | C32 | H25 | 4.9° | 0.1° |
| C33 | C34 | H26 | H27 | 118.7° | 120.0° |
| C34 | C33 | C40 | H31 | 4.8° | 0.0° |
| F31 | C28 | F29 | C27 | 118.8° | 120.1° |
| F31 | C28 | F29 | F30 | 117.3° | 120.0° |
| F31 | C28 | C27 | F30 | 123.4° | 120.0° |
| F31 | C28 | C27 | N26 | 49.0° | 125.0° |
| F31 | C28 | C27 | C21 | 130.0° | 55.6° |
| C25 | C24 | N23 | N26 | 111.5° | 54.9° |
| C25 | C24 | N23 | H8 | 120.6° | 119.9° |
| C25 | C24 | N23 | H9 | 120.6° | 120.1° |
| C25 | C24 | N23 | C22 | 75.2° | 125.0° |
| C25 | C24 | H8 | H9 | 118.3° | 120.0° |
| C24 | C25 | H22 | H23 | 120.0° | 119.9° |
| C24 | C25 | H22 | H24 | 120.0° | 120.1° |
| C24 | C25 | H23 | H24 | 120.0° | 120.0° |
| C33 | C32 | C20 | H25 | 180.0° | 179.9° |
| C33 | C32 | C20 | C21 | 176.1° | 179.7° |
| C33 | C32 | C20 | C19 | 0.6° | 0.0° |
| C32 | C33 | C40 | C18 | 0.5° | 0.3° |
| C32 | C33 | C34 | H26 | 142.8° | 150.0° |
| C32 | C33 | C34 | H27 | 23.7° | 30.0° |
| C32 | C33 | C40 | H31 | 179.5° | 179.9° |
| C20 | C32 | C33 | C40 | 0.6° | 0.0° |
| C32 | C20 | C21 | C27 | 74.6° | 129.5° |
| C32 | C20 | C21 | C22 | 108.2° | 50.3° |
| C32 | C20 | C21 | C19 | 176.6° | 179.7° |
| C32 | C20 | C19 | C18 | 0.4° | 0.3° |
| C32 | C20 | C19 | H21 | 179.6° | 179.8° |
| C33 | C40 | C18 | H31 | 180.0° | 179.7° |
| C33 | C40 | C18 | C19 | 0.3° | 0.6° |
| C33 | C40 | C18 | C17 | 175.3° | 180.0° |
| C40 | C33 | C32 | H25 | 179.5° | 179.9° |
| C40 | C33 | C34 | H26 | 41.5° | 30.0° |
| C40 | C33 | C34 | H27 | 160.7° | 150.0° |
| F29 | C28 | C27 | F30 | 123.3° | 120.0° |
| F29 | C28 | C27 | N26 | 162.4° | 114.9° |
| F29 | C28 | C27 | C21 | 16.6° | 64.5° |
| C28 | C27 | N26 | C21 | 179.2° | 179.5° |
| C28 | C27 | N26 | N23 | 179.2° | 179.9° |
| C28 | C27 | C21 | C22 | 178.9° | 179.9° |
| C28 | C27 | C21 | C20 | 3.4° | 0.3° |
| F30 | C28 | C27 | N26 | 74.3° | 5.1° |
| F30 | C28 | C27 | C21 | 106.7° | 175.5° |
| C27 | N26 | N23 | C24 | 174.1° | 179.6° |
| C27 | N26 | N23 | C22 | 0.2° | 0.3° |
| N26 | C27 | C21 | C22 | 0.1° | 0.4° |
| N26 | C27 | C21 | C20 | 177.6° | 179.8° |
| N23 | N26 | C27 | C21 | 0.0° | 0.4° |
| N26 | N23 | C24 | C22 | 173.3° | 179.9° |
| N26 | N23 | C22 | C21 | 0.2° | 0.0° |
| N26 | N23 | C22 | H7 | 179.8° | 179.9° |
| N26 | N23 | C24 | H8 | 9.0° | 65.1° |
| N26 | N23 | C24 | H9 | 127.9° | 174.9° |
| C27 | C21 | C22 | N23 | 0.2° | 0.3° |
| C27 | C21 | C22 | C20 | 177.8° | 179.8° |
| C27 | C21 | C20 | C19 | 108.8° | 50.2° |
| C27 | C21 | C22 | H7 | 179.8° | 179.7° |
| C24 | N23 | C22 | C21 | 173.5° | 179.9° |
| C24 | N23 | C22 | H7 | 6.5° | 0.0° |
| N23 | C24 | H8 | H9 | 118.2° | 120.0° |
| N23 | C24 | C25 | H22 | 180.0° | 180.0° |
| N23 | C24 | C25 | H23 | 60.0° | 60.1° |
| N23 | C24 | C25 | H24 | 60.0° | 59.9° |
| N23 | C22 | C21 | H7 | 180.0° | 179.9° |
| N23 | C22 | C21 | C20 | 177.6° | 180.0° |
| C22 | N23 | C24 | H8 | 164.3° | 115.0° |
| C22 | N23 | C24 | H9 | 45.4° | 4.9° |
| C22 | C21 | C20 | C19 | 68.4° | 130.0° |
| C21 | C20 | C19 | C18 | 176.2° | 180.0° |
| C20 | C21 | C22 | H7 | 2.4° | 0.1° |
| C21 | C20 | C19 | H21 | 3.8° | 0.1° |
| C21 | C20 | C32 | H25 | 3.9° | 0.2° |
| C20 | C19 | C18 | C40 | 0.3° | 0.6° |
| C20 | C19 | C18 | H21 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 175.0° | 180.0° |
| C19 | C20 | C32 | H25 | 179.5° | 179.9° |
| C40 | C18 | C19 | C17 | 175.3° | 179.5° |
| C40 | C18 | C17 | O41 | 3.4° | 0.5° |
| C40 | C18 | C17 | N16 | 176.9° | 179.5° |
| C40 | C18 | C19 | H21 | 179.7° | 179.5° |
| C19 | C18 | C17 | O41 | 178.9° | 180.0° |
| C19 | C18 | C17 | N16 | 1.5° | 0.0° |
| C19 | C18 | C40 | H31 | 179.7° | 179.8° |
| C18 | C17 | O41 | N16 | 179.7° | 180.0° |
| C18 | C17 | N16 | C4 | 171.3° | 180.0° |
| C18 | C17 | N16 | H20 | 8.7° | 0.0° |
| C17 | C18 | C19 | H21 | 5.0° | 0.1° |
| C17 | C18 | C40 | H31 | 4.8° | 0.3° |
| O41 | C17 | N16 | C4 | 9.0° | 0.0° |
| O41 | C17 | N16 | H20 | 171.0° | 180.0° |
| C17 | N16 | C4 | H20 | 180.0° | 180.0° |
| C17 | N16 | C4 | C5 | 69.8° | 155.0° |
| C17 | N16 | C4 | C3 | 164.7° | 85.0° |
| C17 | N16 | C4 | H1 | 46.1° | 35.0° |
| N16 | C4 | C5 | O15 | 36.5° | 0.1° |
| N16 | C4 | C5 | C3 | 122.8° | 120.0° |
| N16 | C4 | C5 | H1 | 116.6° | 120.0° |
| N16 | C4 | C5 | N6 | 142.9° | 180.0° |
| N16 | C4 | C3 | H1 | 119.2° | 120.0° |
| N16 | C4 | C3 | C2 | 62.0° | 65.0° |
| N16 | C4 | C3 | H15 | 58.9° | 55.0° |
| N16 | C4 | C3 | H16 | 177.0° | 175.0° |
| O15 | C5 | C4 | N6 | 179.4° | 179.9° |
| O15 | C5 | N6 | C9 | 0.1° | 179.9° |
| O15 | C5 | C4 | C3 | 86.2° | 120.1° |
| O15 | C5 | N6 | C7 | 175.7° | 0.0° |
| O15 | C5 | C4 | H1 | 153.1° | 120.0° |
| C13 | C14 | C10 | H19 | 180.0° | 179.7° |
| C14 | C13 | S12 | H6 | 180.0° | 179.8° |
| C13 | C14 | C10 | C9 | 177.6° | 179.8° |
| C13 | C14 | C10 | C11 | 0.0° | 0.1° |
| C14 | C13 | S12 | C11 | 0.0° | 0.3° |
| C10 | C14 | C13 | S12 | 0.0° | 0.3° |
| C14 | C10 | C9 | C11 | 177.4° | 179.7° |
| C14 | C10 | C9 | N6 | 167.3° | 168.4° |
| C14 | C10 | C11 | S12 | 0.0° | 0.2° |
| C14 | C10 | C11 | C8 | 177.4° | 179.6° |
| C10 | C14 | C13 | H6 | 180.0° | 180.0° |
| C14 | C10 | C9 | H17 | 46.9° | 71.7° |
| C14 | C10 | C9 | H18 | 72.4° | 49.1° |
| C13 | S12 | C11 | C10 | 0.0° | 0.3° |
| C13 | S12 | C11 | C8 | 177.4° | 179.5° |
| S12 | C13 | C14 | H19 | 180.0° | 180.0° |
| C4 | C5 | N6 | C9 | 179.5° | 0.0° |
| C5 | C4 | C3 | H1 | 120.6° | 120.0° |
| C4 | C5 | N6 | C7 | 4.8° | 180.0° |
| C5 | C4 | C3 | C2 | 177.8° | 175.0° |
| C5 | C4 | C3 | H15 | 61.3° | 65.1° |
| C5 | C4 | C3 | H16 | 56.8° | 55.0° |
| C5 | C4 | N16 | H20 | 110.2° | 25.0° |
| C5 | N6 | C9 | C10 | 143.1° | 134.8° |
| C5 | N6 | C9 | C7 | 176.1° | 180.0° |
| N6 | C5 | C4 | C3 | 94.3° | 60.0° |
| C5 | N6 | C7 | C8 | 121.6° | 115.1° |
| N6 | C5 | C4 | H1 | 26.3° | 60.0° |
| C5 | N6 | C7 | H2 | 1.2° | 4.7° |
| C5 | N6 | C7 | H3 | 118.0° | 125.1° |
| C5 | N6 | C9 | H17 | 22.7° | 105.5° |
| C5 | N6 | C9 | H18 | 96.5° | 15.4° |
| C10 | C9 | N6 | H17 | 120.4° | 119.7° |
| C10 | C9 | N6 | H18 | 120.3° | 119.5° |
| C9 | C10 | C11 | S12 | 177.7° | 179.5° |
| C10 | C9 | N6 | C7 | 40.8° | 45.1° |
| C9 | C10 | C11 | C8 | 0.3° | 0.7° |
| C10 | C9 | H17 | H18 | 118.9° | 120.8° |
| C9 | C10 | C14 | H19 | 2.4° | 0.5° |
| C11 | C10 | C9 | N6 | 10.1° | 11.9° |
| C10 | C11 | S12 | C8 | 177.5° | 179.7° |
| C10 | C11 | C8 | C7 | 18.9° | 18.0° |
| C10 | C11 | C8 | H4 | 138.7° | 137.9° |
| C10 | C11 | C8 | H5 | 100.9° | 101.8° |
| C11 | C10 | C9 | H17 | 130.5° | 107.9° |
| C11 | C10 | C9 | H18 | 110.2° | 131.2° |
| C11 | C10 | C14 | H19 | 180.0° | 179.8° |
| C9 | N6 | C7 | C8 | 62.5° | 64.8° |
| C9 | N6 | C7 | H2 | 177.2° | 175.4° |
| C9 | N6 | C7 | H3 | 57.9° | 55.0° |
| N6 | C9 | H17 | H18 | 118.9° | 120.7° |
| C4 | C3 | C2 | H15 | 121.0° | 120.0° |
| C4 | C3 | C2 | H16 | 121.0° | 120.1° |
| C4 | C3 | C2 | C1 | 72.9° | 180.0° |
| C4 | C3 | C2 | H13 | 47.5° | 59.9° |
| C4 | C3 | C2 | H14 | 166.7° | 60.0° |
| C4 | C3 | H15 | H16 | 116.9° | 120.1° |
| C3 | C4 | N16 | H20 | 15.3° | 95.0° |
| S12 | C11 | C8 | C7 | 164.0° | 162.3° |
| S12 | C11 | C8 | H4 | 44.2° | 42.4° |
| S12 | C11 | C8 | H5 | 76.2° | 77.8° |
| C11 | S12 | C13 | H6 | 180.0° | 179.9° |
| N6 | C7 | C8 | C11 | 47.9° | 45.4° |
| N6 | C7 | C8 | H2 | 120.4° | 119.8° |
| N6 | C7 | C8 | H3 | 120.4° | 119.8° |
| N6 | C7 | H2 | H3 | 118.9° | 120.4° |
| N6 | C7 | C8 | H4 | 167.8° | 165.2° |
| N6 | C7 | C8 | H5 | 71.9° | 74.6° |
| C7 | N6 | C9 | H17 | 161.1° | 74.6° |
| C7 | N6 | C9 | H18 | 79.6° | 164.6° |
| C11 | C8 | C7 | H4 | 119.8° | 119.9° |
| C11 | C8 | C7 | H5 | 119.8° | 120.0° |
| C11 | C8 | C7 | H2 | 168.3° | 165.2° |
| C11 | C8 | C7 | H3 | 72.4° | 74.4° |
| C11 | C8 | H4 | H5 | 120.6° | 120.3° |
| C8 | C7 | H2 | H3 | 118.9° | 120.3° |
| C7 | C8 | H4 | H5 | 120.5° | 120.1° |
| C3 | C2 | C1 | H13 | 120.4° | 120.1° |
| C3 | C2 | C1 | H14 | 120.4° | 120.1° |
| C2 | C3 | C4 | H1 | 57.2° | 55.0° |
| C3 | C2 | C1 | H10 | 180.0° | 60.0° |
| C3 | C2 | C1 | H11 | 60.0° | 60.0° |
| C3 | C2 | C1 | H12 | 60.0° | 180.0° |
| C3 | C2 | H13 | H14 | 118.8° | 120.0° |
| C2 | C3 | H15 | H16 | 117.0° | 119.9° |
| C2 | C1 | H10 | H11 | 120.0° | 119.9° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C1 | C2 | H13 | H14 | 118.8° | 119.9° |
| C1 | C2 | C3 | H15 | 166.2° | 60.0° |
| C1 | C2 | C3 | H16 | 48.1° | 59.9° |
| H1 | C4 | C3 | H15 | 178.1° | 175.0° |
| H1 | C4 | C3 | H16 | 63.8° | 65.0° |
| H1 | C4 | N16 | H20 | 133.9° | 145.0° |
| H2 | C7 | C8 | H4 | 71.9° | 74.9° |
| H2 | C7 | C8 | H5 | 48.5° | 45.3° |
| H3 | C7 | C8 | H4 | 47.4° | 45.4° |
| H3 | C7 | C8 | H5 | 167.7° | 165.6° |
| H6 | C13 | C14 | H19 | 0.0° | 0.3° |
| H8 | C24 | C25 | H22 | 59.4° | 60.1° |
| H8 | C24 | C25 | H23 | 60.6° | 180.0° |
| H8 | C24 | C25 | H24 | 179.4° | 60.0° |
| H9 | C24 | C25 | H22 | 59.5° | 59.9° |
| H9 | C24 | C25 | H23 | 179.5° | 60.0° |
| H9 | C24 | C25 | H24 | 60.6° | 180.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.1° |
| H10 | C1 | C2 | H13 | 59.6° | 60.1° |
| H10 | C1 | C2 | H14 | 59.6° | 179.9° |
| H11 | C1 | C2 | H13 | 179.6° | 180.0° |
| H11 | C1 | C2 | H14 | 60.4° | 60.1° |
| H12 | C1 | C2 | H13 | 60.4° | 59.9° |
| H12 | C1 | C2 | H14 | 179.6° | 59.9° |
| H13 | C2 | C3 | H15 | 73.5° | 60.1° |
| H13 | C2 | C3 | H16 | 168.5° | 180.0° |
| H14 | C2 | C3 | H15 | 45.8° | 180.0° |
| H14 | C2 | C3 | H16 | 72.3° | 60.1° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H29 | C38 | C39 | H30 | 0.2° | 0.2° |
