A4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.33Å | 1.34Å | Aromatic |
| C32 | S33 | sing | 1.76Å | 1.67Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.34Å | Aromatic |
| C30 | C29 | doub | 1.33Å | 1.33Å | Aromatic |
| S33 | C29 | sing | 1.76Å | 1.63Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C29 | C20 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | sing | 1.54Å | 1.57Å | |
| C11 | C10 | sing | 1.53Å | 1.58Å | |
| C12 | N17 | sing | 1.49Å | 1.49Å | |
| C12 | C13 | sing | 1.55Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | N21 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N17 | sing | 1.47Å | 1.48Å | |
| C5 | N4 | doub | 1.30Å | 1.34Å | Aromatic |
| C5 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| N17 | C15 | sing | 1.49Å | 1.48Å | |
| N4 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N21 | C22 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| N9 | C10 | sing | 1.46Å | 1.52Å | |
| N9 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C10 | C16 | sing | 1.53Å | 1.57Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| C22 | O23 | doub | 1.21Å | 1.23Å | |
| C22 | C24 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.54Å | 1.56Å | |
| C15 | C14 | sing | 1.55Å | 1.56Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C24 | C28 | sing | 1.54Å | 1.54Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C28 | C27 | sing | 1.54Å | 1.52Å | |
| C25 | C26 | sing | 1.55Å | 1.51Å | |
| C27 | C26 | sing | 1.54Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| N21 | H28 | sing | 0.97Å | 1.00Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | S33 | 107.1° | 109.6° |
| C32 | C31 | C30 | 114.4° | 114.9° |
| C32 | C31 | H39 | 122.8° | 122.5° |
| C31 | C32 | H40 | 126.4° | 125.2° |
| C32 | S33 | C29 | 95.6° | 91.0° |
| S33 | C32 | H40 | 126.5° | 125.2° |
| C31 | C30 | C29 | 114.1° | 114.9° |
| C31 | C30 | H38 | 122.9° | 122.5° |
| C30 | C31 | H39 | 122.8° | 122.6° |
| C30 | C29 | S33 | 108.7° | 109.6° |
| C30 | C29 | C20 | 124.2° | 125.2° |
| C29 | C30 | H38 | 122.9° | 122.6° |
| S33 | C29 | C20 | 127.0° | 125.3° |
| C7 | C6 | C8 | 110.2° | 109.5° |
| C7 | C6 | C5 | 109.5° | 109.4° |
| C7 | C6 | H4 | 108.4° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.4° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C29 | C20 | C19 | 111.0° | 109.5° |
| C29 | C20 | N21 | 114.1° | 109.4° |
| C29 | C20 | H27 | 106.8° | 109.5° |
| C8 | C6 | C5 | 111.9° | 109.4° |
| C8 | C6 | H4 | 108.4° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H9 | 109.4° | 109.4° |
| C6 | C8 | H10 | 109.5° | 109.5° |
| C6 | C5 | N4 | 123.5° | 126.4° |
| C6 | C5 | N9 | 126.7° | 126.3° |
| C5 | C6 | H4 | 108.2° | 109.4° |
| C12 | C11 | C10 | 111.5° | 108.9° |
| C11 | C12 | N17 | 110.3° | 107.2° |
| C11 | C12 | C13 | 110.6° | 107.8° |
| C12 | C11 | H12 | 108.9° | 109.6° |
| C12 | C11 | H13 | 109.0° | 109.6° |
| C11 | C12 | H14 | 110.0° | 112.1° |
| C11 | C10 | N9 | 118.3° | 109.4° |
| C11 | C10 | C16 | 116.7° | 109.7° |
| C11 | C10 | H11 | 100.3° | 109.4° |
| C10 | C11 | H12 | 109.0° | 109.6° |
| C10 | C11 | H13 | 108.9° | 109.6° |
| N17 | C12 | C13 | 104.2° | 104.2° |
| C12 | N17 | C18 | 115.0° | 111.0° |
| C12 | N17 | C15 | 102.9° | 103.4° |
| N17 | C12 | H14 | 111.2° | 112.3° |
| C12 | C13 | C14 | 103.9° | 104.8° |
| C13 | C12 | H14 | 110.3° | 112.7° |
| C12 | C13 | H15 | 110.8° | 110.4° |
| C12 | C13 | H16 | 110.9° | 110.4° |
| C19 | C20 | N21 | 110.1° | 109.5° |
| C20 | C19 | C18 | 107.9° | 109.5° |
| C20 | C19 | H25 | 109.8° | 109.5° |
| C20 | C19 | H26 | 109.9° | 109.5° |
| C19 | C20 | H27 | 107.0° | 109.5° |
| C20 | N21 | C22 | 122.4° | 120.0° |
| N21 | C20 | H27 | 107.5° | 109.5° |
| C20 | N21 | H28 | 118.8° | 120.0° |
| C19 | C18 | N17 | 113.2° | 109.5° |
| C19 | C18 | H23 | 108.5° | 109.5° |
| C19 | C18 | H24 | 108.5° | 109.4° |
| C18 | C19 | H25 | 109.9° | 109.5° |
| C18 | C19 | H26 | 109.9° | 109.4° |
| C18 | N17 | C15 | 114.8° | 111.0° |
| N17 | C18 | H23 | 108.5° | 109.5° |
| N17 | C18 | H24 | 108.5° | 109.5° |
| N4 | C5 | N9 | 109.8° | 107.3° |
| C5 | N4 | N3 | 107.7° | 109.7° |
| C5 | N9 | C10 | 132.6° | 127.0° |
| C5 | N9 | C2 | 104.9° | 106.0° |
| N17 | C15 | C16 | 108.5° | 107.2° |
| N17 | C15 | C14 | 104.1° | 104.2° |
| N17 | C15 | H19 | 111.3° | 112.7° |
| N4 | N3 | C2 | 106.9° | 109.7° |
| N21 | C22 | O23 | 124.2° | 120.0° |
| N21 | C22 | C24 | 115.2° | 120.0° |
| C22 | N21 | H28 | 118.8° | 120.0° |
| C13 | C14 | C15 | 104.6° | 104.9° |
| C14 | C13 | H15 | 110.9° | 110.4° |
| C14 | C13 | H16 | 110.9° | 110.4° |
| C13 | C14 | H17 | 110.7° | 110.3° |
| C13 | C14 | H18 | 110.7° | 110.3° |
| C10 | N9 | C2 | 122.4° | 127.0° |
| N9 | C10 | C16 | 115.3° | 109.4° |
| N9 | C10 | H11 | 100.8° | 109.4° |
| N9 | C2 | N3 | 110.7° | 107.3° |
| N9 | C2 | C1 | 126.4° | 126.4° |
| C10 | C16 | C15 | 111.5° | 108.9° |
| C16 | C10 | H11 | 100.4° | 109.5° |
| C10 | C16 | H20 | 109.0° | 109.6° |
| C10 | C16 | H21 | 108.9° | 109.6° |
| N3 | C2 | C1 | 122.9° | 126.3° |
| O23 | C22 | C24 | 120.6° | 120.0° |
| C22 | C24 | C28 | 111.8° | 110.5° |
| C22 | C24 | C25 | 109.9° | 110.5° |
| C22 | C24 | H29 | 109.9° | 110.4° |
| C16 | C15 | C14 | 112.6° | 107.8° |
| C16 | C15 | H19 | 110.1° | 112.2° |
| C15 | C16 | H20 | 109.0° | 109.6° |
| C15 | C16 | H21 | 109.0° | 109.5° |
| C15 | C14 | H17 | 110.7° | 110.4° |
| C15 | C14 | H18 | 110.7° | 110.5° |
| C14 | C15 | H19 | 110.2° | 112.2° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C28 | C24 | C25 | 105.2° | 104.2° |
| C24 | C28 | C27 | 106.3° | 106.6° |
| C28 | C24 | H29 | 109.9° | 110.5° |
| C24 | C28 | H36 | 110.3° | 110.0° |
| C24 | C28 | H37 | 110.3° | 110.0° |
| C24 | C25 | C26 | 104.2° | 102.7° |
| C25 | C24 | H29 | 110.0° | 110.6° |
| C24 | C25 | H30 | 110.8° | 110.8° |
| C24 | C25 | H31 | 110.8° | 110.7° |
| C28 | C27 | C26 | 105.1° | 106.6° |
| C28 | C27 | H34 | 110.6° | 110.0° |
| C28 | C27 | H35 | 110.6° | 110.1° |
| C27 | C28 | H36 | 110.3° | 110.1° |
| C27 | C28 | H37 | 110.2° | 110.1° |
| C25 | C26 | C27 | 103.3° | 104.2° |
| C26 | C25 | H30 | 110.8° | 110.8° |
| C26 | C25 | H31 | 110.8° | 110.7° |
| C25 | C26 | H32 | 111.0° | 110.5° |
| C25 | C26 | H33 | 111.0° | 110.4° |
| C27 | C26 | H32 | 111.0° | 110.5° |
| C27 | C26 | H33 | 111.0° | 110.6° |
| C26 | C27 | H34 | 110.5° | 110.0° |
| C26 | C27 | H35 | 110.5° | 110.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H7 | 109.4° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.6° |
| H15 | C13 | H16 | 109.4° | 110.4° |
| H17 | C14 | H18 | 109.4° | 110.3° |
| H20 | C16 | H21 | 109.5° | 109.7° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H25 | C19 | H26 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 110.8° |
| H32 | C26 | H33 | 109.5° | 110.4° |
| H34 | C27 | H35 | 109.5° | 110.1° |
| H36 | C28 | H37 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | S33 | H40 | 180.0° | 179.8° |
| C32 | C31 | C30 | H39 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 1.4° | 0.0° |
| C31 | C32 | S33 | C29 | 1.1° | 0.3° |
| C32 | C31 | C30 | H38 | 178.6° | 180.0° |
| S33 | C32 | C31 | C30 | 0.0° | 0.3° |
| C32 | S33 | C29 | C30 | 1.9° | 0.3° |
| C32 | S33 | C29 | C20 | 177.9° | 180.0° |
| S33 | C32 | C31 | H39 | 180.0° | 179.7° |
| C31 | C30 | C29 | H38 | 180.0° | 179.9° |
| C31 | C30 | C29 | S33 | 2.2° | 0.2° |
| C31 | C30 | C29 | C20 | 178.4° | 179.9° |
| C30 | C31 | C32 | H40 | 180.0° | 180.0° |
| C30 | C29 | S33 | C20 | 176.1° | 179.7° |
| C30 | C29 | C20 | C19 | 126.2° | 100.0° |
| C30 | C29 | C20 | N21 | 108.7° | 140.0° |
| C30 | C29 | C20 | H27 | 9.9° | 20.1° |
| C29 | C30 | C31 | H39 | 178.6° | 180.0° |
| S33 | C29 | C20 | C19 | 49.3° | 79.7° |
| S33 | C29 | C20 | N21 | 75.8° | 40.3° |
| S33 | C29 | C20 | H27 | 165.6° | 160.3° |
| S33 | C29 | C30 | H38 | 177.8° | 179.7° |
| C29 | S33 | C32 | H40 | 178.9° | 179.9° |
| C7 | C6 | C8 | C5 | 122.1° | 119.9° |
| C7 | C6 | C8 | H4 | 118.6° | 120.1° |
| C7 | C6 | C5 | H4 | 118.0° | 120.0° |
| C7 | C6 | C5 | N4 | 70.6° | 60.0° |
| C7 | C6 | C5 | N9 | 105.8° | 120.3° |
| C6 | C7 | H5 | H6 | 120.0° | 120.0° |
| C6 | C7 | H5 | H7 | 120.0° | 120.0° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C6 | C8 | H8 | 180.0° | 180.0° |
| C7 | C6 | C8 | H9 | 60.0° | 60.0° |
| C7 | C6 | C8 | H10 | 60.0° | 59.9° |
| C29 | C20 | C19 | N21 | 127.3° | 120.0° |
| C29 | C20 | C19 | H27 | 116.2° | 120.0° |
| C29 | C20 | N21 | H27 | 118.2° | 120.0° |
| C29 | C20 | C19 | C18 | 86.1° | 175.1° |
| C29 | C20 | N21 | C22 | 131.3° | 85.0° |
| C29 | C20 | C19 | H25 | 154.2° | 55.0° |
| C29 | C20 | C19 | H26 | 33.7° | 65.0° |
| C29 | C20 | N21 | H28 | 48.7° | 95.0° |
| C20 | C29 | C30 | H38 | 1.7° | 0.0° |
| C8 | C6 | C5 | H4 | 119.4° | 120.0° |
| C8 | C6 | C5 | N4 | 51.9° | 59.9° |
| C8 | C6 | C5 | N9 | 131.7° | 119.8° |
| C8 | C6 | C7 | H5 | 180.0° | 60.0° |
| C8 | C6 | C7 | H6 | 60.0° | 180.0° |
| C8 | C6 | C7 | H7 | 60.0° | 60.0° |
| C6 | C8 | H8 | H9 | 120.0° | 120.0° |
| C6 | C8 | H8 | H10 | 120.0° | 120.1° |
| C6 | C8 | H9 | H10 | 120.0° | 120.0° |
| C6 | C5 | N4 | N9 | 176.9° | 179.7° |
| C6 | C5 | N4 | N3 | 178.3° | 180.0° |
| C6 | C5 | N9 | C10 | 4.0° | 0.2° |
| C6 | C5 | N9 | C2 | 178.8° | 179.9° |
| C5 | C6 | C7 | H5 | 56.5° | 180.0° |
| C5 | C6 | C7 | H6 | 63.5° | 60.0° |
| C5 | C6 | C7 | H7 | 176.5° | 60.0° |
| C5 | C6 | C8 | H8 | 57.9° | 60.0° |
| C5 | C6 | C8 | H9 | 177.9° | 180.0° |
| C5 | C6 | C8 | H10 | 62.2° | 60.0° |
| C12 | C11 | C10 | H12 | 120.3° | 119.9° |
| C12 | C11 | C10 | H13 | 120.3° | 119.8° |
| C11 | C12 | N17 | C13 | 118.8° | 114.1° |
| C11 | C12 | N17 | H14 | 122.3° | 123.6° |
| C11 | C12 | C13 | H14 | 121.9° | 124.2° |
| C11 | C12 | N17 | C18 | 159.9° | 168.4° |
| C11 | C12 | N17 | C15 | 74.5° | 72.5° |
| C11 | C12 | C13 | C14 | 90.7° | 88.6° |
| C12 | C11 | C10 | N9 | 171.2° | 174.1° |
| C12 | C11 | C10 | C16 | 26.8° | 54.0° |
| C12 | C11 | C10 | H11 | 80.5° | 66.1° |
| C12 | C11 | H12 | H13 | 119.1° | 120.3° |
| C11 | C12 | C13 | H15 | 28.4° | 30.3° |
| C11 | C12 | C13 | H16 | 150.1° | 152.6° |
| C10 | C11 | C12 | N17 | 48.9° | 64.1° |
| C10 | C11 | C12 | C13 | 66.0° | 47.7° |
| C11 | C10 | N9 | C5 | 60.5° | 60.1° |
| C11 | C10 | N9 | C16 | 144.9° | 120.3° |
| C11 | C10 | N9 | H11 | 108.1° | 119.8° |
| C11 | C10 | N9 | C2 | 122.6° | 119.6° |
| C11 | C10 | C16 | H11 | 107.2° | 120.0° |
| C11 | C10 | C16 | C15 | 29.9° | 54.0° |
| C10 | C11 | H12 | H13 | 119.1° | 120.3° |
| C10 | C11 | C12 | H14 | 171.9° | 172.3° |
| C11 | C10 | C16 | H20 | 90.4° | 65.8° |
| C11 | C10 | C16 | H21 | 150.2° | 173.8° |
| N17 | C12 | C13 | H14 | 119.5° | 122.0° |
| C12 | N17 | C18 | C19 | 167.3° | 170.0° |
| C12 | N17 | C18 | C15 | 119.2° | 114.4° |
| N17 | C12 | C13 | C14 | 27.9° | 25.2° |
| C12 | N17 | C15 | C16 | 77.4° | 72.5° |
| C12 | N17 | C15 | C14 | 42.7° | 41.6° |
| N17 | C12 | C11 | H12 | 71.5° | 176.1° |
| N17 | C12 | C11 | H13 | 169.1° | 55.8° |
| N17 | C12 | C13 | H15 | 147.0° | 144.0° |
| N17 | C12 | C13 | H16 | 91.3° | 93.7° |
| C12 | N17 | C15 | H19 | 161.3° | 163.5° |
| C12 | N17 | C18 | H23 | 46.7° | 70.0° |
| C12 | N17 | C18 | H24 | 72.2° | 50.0° |
| C13 | C12 | N17 | C18 | 81.3° | 77.5° |
| C13 | C12 | N17 | C15 | 44.3° | 41.6° |
| C12 | C13 | C14 | H15 | 119.1° | 118.8° |
| C12 | C13 | C14 | H16 | 119.1° | 118.8° |
| C12 | C13 | C14 | C15 | 2.0° | 0.0° |
| C13 | C12 | C11 | H12 | 173.7° | 72.2° |
| C13 | C12 | C11 | H13 | 54.3° | 167.5° |
| C12 | C13 | H15 | H16 | 122.6° | 122.3° |
| C12 | C13 | C14 | H17 | 117.3° | 118.9° |
| C12 | C13 | C14 | H18 | 121.2° | 119.0° |
| C19 | C20 | N21 | H27 | 116.2° | 120.0° |
| C20 | C19 | C18 | H25 | 119.7° | 120.0° |
| C20 | C19 | C18 | H26 | 119.8° | 120.0° |
| C20 | C19 | C18 | N17 | 171.9° | 180.0° |
| C19 | C20 | N21 | C22 | 103.1° | 155.0° |
| C20 | C19 | C18 | H23 | 51.4° | 60.0° |
| C20 | C19 | C18 | H24 | 67.6° | 60.0° |
| C20 | C19 | H25 | H26 | 120.7° | 120.0° |
| C19 | C20 | N21 | H28 | 76.9° | 25.0° |
| N21 | C20 | C19 | C18 | 146.6° | 65.0° |
| C20 | N21 | C22 | H28 | 180.0° | 180.0° |
| C20 | N21 | C22 | O23 | 2.0° | 0.0° |
| C20 | N21 | C22 | C24 | 178.0° | 180.0° |
| N21 | C20 | C19 | H25 | 26.9° | 175.0° |
| N21 | C20 | C19 | H26 | 93.6° | 55.0° |
| C19 | C18 | N17 | H23 | 120.6° | 120.0° |
| C19 | C18 | N17 | H24 | 120.5° | 120.0° |
| C19 | C18 | N17 | C15 | 73.5° | 75.6° |
| C19 | C18 | H23 | H24 | 118.3° | 119.9° |
| C18 | C19 | H25 | H26 | 120.7° | 119.9° |
| C18 | C19 | C20 | H27 | 30.1° | 55.0° |
| C18 | N17 | C15 | C16 | 156.9° | 168.4° |
| C18 | N17 | C15 | C14 | 83.0° | 77.5° |
| C18 | N17 | C12 | H14 | 37.6° | 44.8° |
| C18 | N17 | C15 | H19 | 35.6° | 44.4° |
| N17 | C18 | H23 | H24 | 118.3° | 120.0° |
| N17 | C18 | C19 | H25 | 68.4° | 59.9° |
| N17 | C18 | C19 | H26 | 52.1° | 60.0° |
| N4 | C5 | N9 | C10 | 179.2° | 180.0° |
| N4 | C5 | N9 | C2 | 2.0° | 0.4° |
| C5 | N4 | N3 | C2 | 0.2° | 0.0° |
| N4 | C5 | C6 | H4 | 171.3° | 179.9° |
| N9 | C5 | N4 | N3 | 1.4° | 0.3° |
| C5 | N9 | C10 | C2 | 176.8° | 179.6° |
| C5 | N9 | C10 | C16 | 84.4° | 60.2° |
| C5 | N9 | C2 | N3 | 1.9° | 0.4° |
| C5 | N9 | C2 | C1 | 178.9° | 179.9° |
| N9 | C5 | C6 | H4 | 12.3° | 0.2° |
| C5 | N9 | C10 | H11 | 168.6° | 179.8° |
| N17 | C15 | C14 | C13 | 24.7° | 25.2° |
| N17 | C15 | C16 | C10 | 55.1° | 64.1° |
| N17 | C15 | C16 | C14 | 114.6° | 111.7° |
| N17 | C15 | C16 | H19 | 122.1° | 124.3° |
| N17 | C15 | C14 | H19 | 119.5° | 122.3° |
| C15 | N17 | C12 | H14 | 163.2° | 163.9° |
| N17 | C15 | C14 | H17 | 143.9° | 144.0° |
| N17 | C15 | C14 | H18 | 94.6° | 93.7° |
| N17 | C15 | C16 | H20 | 65.2° | 55.7° |
| N17 | C15 | C16 | H21 | 175.4° | 176.1° |
| C15 | N17 | C18 | H23 | 165.9° | 44.5° |
| C15 | N17 | C18 | H24 | 47.0° | 164.5° |
| N4 | N3 | C2 | N9 | 1.1° | 0.2° |
| N4 | N3 | C2 | C1 | 179.6° | 179.9° |
| N21 | C22 | O23 | C24 | 179.9° | 180.0° |
| N21 | C22 | C24 | C28 | 137.1° | 180.0° |
| N21 | C22 | C24 | C25 | 106.4° | 65.2° |
| C22 | N21 | C20 | H27 | 13.1° | 35.0° |
| N21 | C22 | C24 | H29 | 14.8° | 57.4° |
| C13 | C14 | C15 | C16 | 92.6° | 88.6° |
| C13 | C14 | C15 | H17 | 119.3° | 118.8° |
| C13 | C14 | C15 | H18 | 119.2° | 118.9° |
| C14 | C13 | C12 | H14 | 147.4° | 147.2° |
| C14 | C13 | H15 | H16 | 122.6° | 122.3° |
| C13 | C14 | H17 | H18 | 122.2° | 122.2° |
| C13 | C14 | C15 | H19 | 144.1° | 147.5° |
| N9 | C10 | C16 | H11 | 107.3° | 119.9° |
| C10 | N9 | C2 | N3 | 179.5° | 180.0° |
| N9 | C10 | C16 | C15 | 175.4° | 174.1° |
| C10 | N9 | C2 | C1 | 1.3° | 0.2° |
| N9 | C10 | C11 | H12 | 50.9° | 66.0° |
| N9 | C10 | C11 | H13 | 68.5° | 54.3° |
| N9 | C10 | C16 | H20 | 55.1° | 54.3° |
| N9 | C10 | C16 | H21 | 64.3° | 66.1° |
| C2 | N9 | C10 | C16 | 92.5° | 120.2° |
| N9 | C2 | N3 | C1 | 179.3° | 179.7° |
| N9 | C2 | C1 | H1 | 179.2° | 85.1° |
| N9 | C2 | C1 | H2 | 59.2° | 34.9° |
| N9 | C2 | C1 | H3 | 60.8° | 154.9° |
| C2 | N9 | C10 | H11 | 14.6° | 0.2° |
| C10 | C16 | C15 | H20 | 120.3° | 119.8° |
| C10 | C16 | C15 | H21 | 120.3° | 119.8° |
| C10 | C16 | C15 | C14 | 59.5° | 47.6° |
| C16 | C10 | C11 | H12 | 93.5° | 173.9° |
| C16 | C10 | C11 | H13 | 147.1° | 65.8° |
| C10 | C16 | C15 | H19 | 177.2° | 171.6° |
| C10 | C16 | H20 | H21 | 119.1° | 120.3° |
| N3 | C2 | C1 | H1 | 0.0° | 95.2° |
| N3 | C2 | C1 | H2 | 120.0° | 144.8° |
| N3 | C2 | C1 | H3 | 120.0° | 24.7° |
| O23 | C22 | C24 | C28 | 42.9° | 0.0° |
| O23 | C22 | C24 | C25 | 73.5° | 114.8° |
| O23 | C22 | N21 | H28 | 178.0° | 180.0° |
| O23 | C22 | C24 | H29 | 165.2° | 122.5° |
| C22 | C24 | C28 | C25 | 119.3° | 118.7° |
| C22 | C24 | C28 | H29 | 122.3° | 122.5° |
| C22 | C24 | C25 | H29 | 121.2° | 122.5° |
| C22 | C24 | C28 | C27 | 125.9° | 142.3° |
| C22 | C24 | C25 | C26 | 149.3° | 156.6° |
| C24 | C22 | N21 | H28 | 2.1° | 0.0° |
| C22 | C24 | C25 | H30 | 91.6° | 85.0° |
| C22 | C24 | C25 | H31 | 30.1° | 38.4° |
| C22 | C24 | C28 | H36 | 6.3° | 23.0° |
| C22 | C24 | C28 | H37 | 114.6° | 98.4° |
| C16 | C15 | C14 | H19 | 123.3° | 124.0° |
| C15 | C16 | C10 | H11 | 77.4° | 66.0° |
| C16 | C15 | C14 | H17 | 26.7° | 30.3° |
| C16 | C15 | C14 | H18 | 148.2° | 152.6° |
| C15 | C16 | H20 | H21 | 119.1° | 120.2° |
| C15 | C14 | C13 | H15 | 121.1° | 118.8° |
| C15 | C14 | C13 | H16 | 117.1° | 118.8° |
| C15 | C14 | H17 | H18 | 122.2° | 122.4° |
| C14 | C15 | C16 | H20 | 179.8° | 167.4° |
| C14 | C15 | C16 | H21 | 60.8° | 72.2° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C28 | C24 | C25 | H29 | 118.3° | 118.7° |
| C24 | C28 | C27 | H36 | 119.5° | 119.3° |
| C24 | C28 | C27 | H37 | 119.5° | 119.3° |
| C28 | C24 | C25 | C26 | 28.7° | 37.9° |
| C24 | C28 | C27 | C26 | 18.0° | 0.0° |
| C28 | C24 | C25 | H30 | 147.9° | 156.2° |
| C28 | C24 | C25 | H31 | 90.4° | 80.3° |
| C24 | C28 | C27 | H34 | 101.3° | 119.3° |
| C24 | C28 | C27 | H35 | 137.3° | 119.3° |
| C24 | C28 | H36 | H37 | 121.4° | 121.4° |
| C25 | C24 | C28 | C27 | 6.6° | 23.6° |
| C24 | C25 | C26 | H30 | 119.2° | 118.4° |
| C24 | C25 | C26 | H31 | 119.2° | 118.3° |
| C24 | C25 | C26 | C27 | 40.1° | 37.9° |
| C24 | C25 | H30 | H31 | 122.5° | 123.4° |
| C24 | C25 | C26 | H32 | 78.9° | 80.8° |
| C24 | C25 | C26 | H33 | 159.1° | 156.7° |
| C25 | C24 | C28 | H36 | 112.9° | 95.7° |
| C25 | C24 | C28 | H37 | 126.1° | 142.9° |
| C28 | C27 | C26 | C25 | 35.9° | 23.6° |
| C28 | C27 | C26 | H34 | 119.3° | 119.3° |
| C28 | C27 | C26 | H35 | 119.3° | 119.3° |
| C27 | C28 | C24 | H29 | 111.8° | 95.2° |
| C28 | C27 | C26 | H32 | 83.1° | 95.1° |
| C28 | C27 | C26 | H33 | 154.9° | 142.3° |
| C28 | C27 | H34 | H35 | 122.1° | 121.5° |
| C27 | C28 | H36 | H37 | 121.4° | 121.4° |
| C25 | C26 | C27 | H32 | 119.0° | 118.7° |
| C25 | C26 | C27 | H33 | 119.0° | 118.7° |
| C26 | C25 | C24 | H29 | 89.6° | 80.8° |
| C26 | C25 | H30 | H31 | 122.4° | 123.3° |
| C25 | C26 | H32 | H33 | 122.9° | 122.5° |
| C25 | C26 | C27 | H34 | 83.4° | 142.9° |
| C25 | C26 | C27 | H35 | 155.2° | 95.7° |
| C27 | C26 | C25 | H30 | 159.2° | 156.3° |
| C27 | C26 | C25 | H31 | 79.1° | 80.3° |
| C27 | C26 | H32 | H33 | 122.9° | 122.7° |
| C26 | C27 | H34 | H35 | 122.0° | 121.4° |
| C26 | C27 | C28 | H36 | 137.5° | 119.3° |
| C26 | C27 | C28 | H37 | 101.5° | 119.3° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C6 | C7 | H5 | 61.4° | 60.1° |
| H4 | C6 | C7 | H6 | 178.6° | 60.0° |
| H4 | C6 | C7 | H7 | 58.6° | 179.9° |
| H4 | C6 | C8 | H8 | 61.4° | 59.9° |
| H4 | C6 | C8 | H9 | 58.6° | 60.1° |
| H4 | C6 | C8 | H10 | 178.5° | 180.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| H11 | C10 | C11 | H12 | 159.2° | 53.8° |
| H11 | C10 | C11 | H13 | 39.8° | 174.1° |
| H11 | C10 | C16 | H20 | 162.3° | 174.2° |
| H11 | C10 | C16 | H21 | 43.0° | 53.8° |
| H12 | C11 | C12 | H14 | 51.6° | 52.4° |
| H13 | C11 | C12 | H14 | 67.8° | 67.9° |
| H14 | C12 | C13 | H15 | 93.5° | 94.0° |
| H14 | C12 | C13 | H16 | 28.2° | 28.4° |
| H15 | C13 | C14 | H17 | 1.9° | 0.0° |
| H15 | C13 | C14 | H18 | 119.6° | 122.2° |
| H16 | C13 | C14 | H17 | 123.6° | 122.3° |
| H16 | C13 | C14 | H18 | 2.1° | 0.1° |
| H17 | C14 | C15 | H19 | 96.6° | 93.7° |
| H18 | C14 | C15 | H19 | 24.9° | 28.6° |
| H19 | C15 | C16 | H20 | 56.9° | 68.6° |
| H19 | C15 | C16 | H21 | 62.5° | 51.8° |
| H23 | C18 | C19 | H25 | 171.1° | 180.0° |
| H23 | C18 | C19 | H26 | 68.4° | 60.1° |
| H24 | C18 | C19 | H25 | 52.2° | 60.1° |
| H24 | C18 | C19 | H26 | 172.7° | NaN° |
| H25 | C19 | C20 | H27 | 89.6° | 65.0° |
| H26 | C19 | C20 | H27 | 149.9° | 175.0° |
| H27 | C20 | N21 | H28 | 166.9° | 145.0° |
| H29 | C24 | C25 | H30 | 29.6° | 37.5° |
| H29 | C24 | C25 | H31 | 151.3° | 160.9° |
| H29 | C24 | C28 | H36 | 128.6° | 145.5° |
| H29 | C24 | C28 | H37 | 7.7° | 24.1° |
| H30 | C25 | C26 | H32 | 40.2° | 37.6° |
| H30 | C25 | C26 | H33 | 81.8° | 84.9° |
| H31 | C25 | C26 | H32 | 161.9° | 160.9° |
| H31 | C25 | C26 | H33 | 39.9° | 38.5° |
| H32 | C26 | C27 | H34 | 157.6° | 24.2° |
| H32 | C26 | C27 | H35 | 36.2° | 145.6° |
| H33 | C26 | C27 | H34 | 35.6° | 98.4° |
| H33 | C26 | C27 | H35 | 85.8° | 23.0° |
| H34 | C27 | C28 | H36 | 18.3° | 121.4° |
| H34 | C27 | C28 | H37 | 139.2° | 0.0° |
| H35 | C27 | C28 | H36 | 103.2° | 0.0° |
| H35 | C27 | C28 | H37 | 17.8° | 121.4° |
| H38 | C30 | C31 | H39 | 1.4° | 0.0° |
| H39 | C31 | C32 | H40 | 0.0° | 0.0° |
