A1BIA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.34Å | 1.41Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | N2 | sing | 1.34Å | 1.40Å | |
| N1 | C2 | sing | 1.47Å | 1.42Å | |
| S1 | C3 | sing | 1.84Å | 1.86Å | |
| S1 | C5 | sing | 1.84Å | 1.87Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.70Å | |
| N2 | C4 | sing | 1.47Å | 1.44Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| N3 | C10 | sing | 1.35Å | 1.44Å | |
| N3 | C11 | sing | 1.46Å | 1.51Å | |
| C4 | C5 | sing | 1.54Å | 1.51Å | |
| N4 | C12 | sing | 1.47Å | 1.55Å | |
| N4 | C13 | sing | 1.47Å | 1.55Å | |
| N4 | C20 | sing | 1.47Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N5 | C15 | doub | 1.32Å | 1.37Å | Aromatic |
| N5 | C16 | sing | 1.32Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| N6 | C22 | doub | 1.32Å | 1.37Å | Aromatic |
| N6 | C23 | sing | 1.32Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C9 | C10 | sing | 1.51Å | 1.57Å | |
| C11 | C27 | sing | 1.53Å | 1.60Å | |
| C12 | C27 | sing | 1.53Å | 1.60Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C14 | C15 | sing | 1.51Å | 1.59Å | |
| C15 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.59Å | |
| C21 | C22 | sing | 1.51Å | 1.63Å | |
| C22 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | H02 | sing | 1.09Å | 1.10Å | |
| C3 | H05 | sing | 1.09Å | 1.10Å | |
| C3 | H04 | sing | 1.09Å | 1.10Å | |
| C4 | H07 | sing | 1.09Å | 1.10Å | |
| C5 | H08 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H09 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| N1 | H01 | sing | 0.97Å | 1.00Å | |
| N2 | H03 | sing | 0.97Å | 1.00Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | H06 | sing | 0.97Å | 1.00Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 122.9° | 123.0° |
| N1 | C1 | N2 | 115.8° | 113.9° |
| C1 | N1 | C2 | 109.0° | 109.0° |
| C1 | N1 | H01 | 125.5° | 125.6° |
| O1 | C1 | N2 | 121.3° | 123.0° |
| C1 | N2 | C4 | 107.5° | 109.0° |
| C1 | N2 | H03 | 126.3° | 125.5° |
| N1 | C2 | C3 | 116.0° | 108.9° |
| N1 | C2 | C4 | 103.4° | 104.0° |
| N1 | C2 | H02 | 110.4° | 110.9° |
| C2 | N1 | H01 | 125.5° | 125.4° |
| C3 | S1 | C5 | 92.7° | 94.8° |
| S1 | C3 | C2 | 100.1° | 102.7° |
| S1 | C3 | H05 | 111.8° | 110.7° |
| S1 | C3 | H04 | 111.8° | 110.9° |
| S1 | C5 | C4 | 100.2° | 102.7° |
| S1 | C5 | C6 | 114.3° | 110.7° |
| S1 | C5 | H08 | 107.0° | 110.9° |
| C3 | C2 | C4 | 110.6° | 112.4° |
| C3 | C2 | H02 | 109.0° | 110.3° |
| C2 | C3 | H05 | 111.8° | 110.7° |
| C2 | C3 | H04 | 111.7° | 110.8° |
| C2 | C4 | N2 | 104.2° | 104.0° |
| C2 | C4 | C5 | 107.7° | 112.4° |
| C4 | C2 | H02 | 106.9° | 110.3° |
| C2 | C4 | H07 | 106.6° | 110.3° |
| N2 | C4 | C5 | 118.9° | 109.3° |
| N2 | C4 | H07 | 109.8° | 110.5° |
| C4 | N2 | H03 | 126.3° | 125.4° |
| O2 | C10 | N3 | 120.9° | 119.9° |
| O2 | C10 | C9 | 118.9° | 120.0° |
| C10 | N3 | C11 | 123.6° | 120.1° |
| N3 | C10 | C9 | 120.2° | 120.1° |
| C10 | N3 | H06 | 118.2° | 119.9° |
| N3 | C11 | C27 | 113.9° | 109.5° |
| N3 | C11 | H17 | 108.3° | 109.5° |
| N3 | C11 | H18 | 108.3° | 109.5° |
| C11 | N3 | H06 | 118.2° | 120.0° |
| C4 | C5 | C6 | 112.5° | 110.7° |
| C5 | C4 | H07 | 108.9° | 110.2° |
| C4 | C5 | H08 | 111.3° | 110.8° |
| C12 | N4 | C13 | 113.2° | 111.0° |
| C12 | N4 | C20 | 111.7° | 111.1° |
| N4 | C12 | C27 | 114.7° | 109.5° |
| N4 | C12 | H20 | 108.1° | 109.4° |
| N4 | C12 | H19 | 108.2° | 109.5° |
| C13 | N4 | C20 | 111.3° | 111.0° |
| N4 | C13 | C14 | 112.7° | 109.5° |
| N4 | C13 | H21 | 108.6° | 109.5° |
| N4 | C13 | H22 | 108.6° | 109.5° |
| N4 | C20 | C21 | 115.4° | 109.5° |
| N4 | C20 | H30 | 107.9° | 109.5° |
| N4 | C20 | H29 | 107.9° | 109.5° |
| C5 | C6 | C7 | 111.5° | 109.4° |
| C6 | C5 | H08 | 110.9° | 110.7° |
| C5 | C6 | H10 | 109.0° | 109.5° |
| C5 | C6 | H09 | 108.9° | 109.4° |
| C15 | N5 | C16 | 121.3° | 121.7° |
| N5 | C15 | C14 | 118.0° | 119.6° |
| N5 | C15 | C19 | 119.5° | 120.8° |
| N5 | C16 | C17 | 121.6° | 120.8° |
| N5 | C16 | H25 | 119.2° | 119.6° |
| C6 | C7 | C8 | 109.7° | 109.4° |
| C7 | C6 | H10 | 109.0° | 109.5° |
| C7 | C6 | H09 | 109.0° | 109.5° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| C6 | C7 | H12 | 109.4° | 109.5° |
| C22 | N6 | C23 | 122.6° | 121.8° |
| N6 | C22 | C21 | 119.4° | 119.6° |
| N6 | C22 | C26 | 117.2° | 120.7° |
| N6 | C23 | C24 | 122.7° | 120.7° |
| N6 | C23 | H33 | 118.6° | 119.7° |
| C7 | C8 | C9 | 112.3° | 109.4° |
| C8 | C7 | H11 | 109.4° | 109.5° |
| C8 | C7 | H12 | 109.4° | 109.4° |
| C7 | C8 | H14 | 108.8° | 109.5° |
| C7 | C8 | H13 | 108.8° | 109.5° |
| C8 | C9 | C10 | 112.7° | 109.5° |
| C9 | C8 | H14 | 108.8° | 109.5° |
| C9 | C8 | H13 | 108.8° | 109.5° |
| C8 | C9 | H16 | 108.6° | 109.4° |
| C8 | C9 | H15 | 108.6° | 109.5° |
| C10 | C9 | H16 | 108.7° | 109.4° |
| C10 | C9 | H15 | 108.6° | 109.5° |
| C11 | C27 | C12 | 117.7° | 109.5° |
| C27 | C11 | H17 | 108.4° | 109.5° |
| C27 | C11 | H18 | 108.4° | 109.4° |
| C11 | C27 | H38 | 107.4° | 109.5° |
| C11 | C27 | H37 | 107.4° | 109.4° |
| C27 | C12 | H20 | 108.1° | 109.5° |
| C27 | C12 | H19 | 108.2° | 109.5° |
| C12 | C27 | H38 | 107.4° | 109.5° |
| C12 | C27 | H37 | 107.4° | 109.4° |
| C13 | C14 | C15 | 111.7° | 109.5° |
| C14 | C13 | H21 | 108.6° | 109.4° |
| C14 | C13 | H22 | 108.7° | 109.5° |
| C13 | C14 | H23 | 108.9° | 109.5° |
| C13 | C14 | H24 | 108.9° | 109.4° |
| C14 | C15 | C19 | 122.6° | 119.6° |
| C15 | C14 | H23 | 108.9° | 109.5° |
| C15 | C14 | H24 | 108.9° | 109.5° |
| C15 | C19 | C18 | 119.2° | 119.2° |
| C15 | C19 | H28 | 120.4° | 120.4° |
| C16 | C17 | C18 | 118.2° | 119.2° |
| C17 | C16 | H25 | 119.2° | 119.6° |
| C16 | C17 | H26 | 120.9° | 120.5° |
| C17 | C18 | C19 | 120.3° | 118.4° |
| C18 | C17 | H26 | 120.9° | 120.4° |
| C17 | C18 | H27 | 119.9° | 120.9° |
| C19 | C18 | H27 | 119.9° | 120.7° |
| C18 | C19 | H28 | 120.4° | 120.4° |
| C20 | C21 | C22 | 116.9° | 109.5° |
| C21 | C20 | H30 | 108.0° | 109.5° |
| C21 | C20 | H29 | 108.0° | 109.4° |
| C20 | C21 | H32 | 107.6° | 109.5° |
| C20 | C21 | H31 | 107.6° | 109.5° |
| C21 | C22 | C26 | 123.4° | 119.6° |
| C22 | C21 | H32 | 107.6° | 109.4° |
| C22 | C21 | H31 | 107.6° | 109.5° |
| C22 | C26 | C25 | 120.3° | 119.2° |
| C22 | C26 | H36 | 119.8° | 120.4° |
| C23 | C24 | C25 | 115.8° | 119.2° |
| C24 | C23 | H33 | 118.6° | 119.6° |
| C23 | C24 | H34 | 122.1° | 120.4° |
| C24 | C25 | C26 | 121.4° | 118.3° |
| C25 | C24 | H34 | 122.1° | 120.4° |
| C24 | C25 | H35 | 119.3° | 120.8° |
| C26 | C25 | H35 | 119.3° | 120.8° |
| C25 | C26 | H36 | 119.8° | 120.4° |
| H05 | C3 | H04 | 109.5° | 110.8° |
| H10 | C6 | H09 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.4° | 109.5° |
| H14 | C8 | H13 | 109.5° | 109.4° |
| H16 | C9 | H15 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H20 | C12 | H19 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.4° | 109.5° |
| H30 | C20 | H29 | 109.5° | 109.5° |
| H32 | C21 | H31 | 109.5° | 109.4° |
| H38 | C27 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | N2 | 179.1° | 179.6° |
| C1 | N1 | C2 | H01 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 118.4° | 120.5° |
| C1 | N1 | C2 | C4 | 2.9° | 0.4° |
| N1 | C1 | N2 | C4 | 0.4° | 0.0° |
| C1 | N1 | C2 | H02 | 117.0° | 118.1° |
| N1 | C1 | N2 | H03 | 179.6° | 180.0° |
| O1 | C1 | N1 | C2 | 178.4° | 180.0° |
| O1 | C1 | N2 | C4 | 179.6° | 179.7° |
| O1 | C1 | N1 | H01 | 1.6° | 0.1° |
| O1 | C1 | N2 | H03 | 0.4° | 0.3° |
| N2 | C1 | N1 | C2 | 2.4° | 0.3° |
| C1 | N2 | C4 | C2 | 1.4° | 0.3° |
| C1 | N2 | C4 | H03 | 180.0° | 179.9° |
| C1 | N2 | C4 | C5 | 121.3° | 119.9° |
| C1 | N2 | C4 | H07 | 112.5° | 118.6° |
| N2 | C1 | N1 | H01 | 177.6° | 179.8° |
| N1 | C2 | C3 | S1 | 88.3° | 90.1° |
| N1 | C2 | C3 | C4 | 117.4° | 114.6° |
| N1 | C2 | C3 | H02 | 125.4° | 121.8° |
| N1 | C2 | C4 | H02 | 116.6° | 118.9° |
| N1 | C2 | C4 | N2 | 2.7° | 0.4° |
| N1 | C2 | C4 | C5 | 129.9° | 117.7° |
| N1 | C2 | C3 | H05 | 30.2° | 151.7° |
| N1 | C2 | C3 | H04 | 153.3° | 28.4° |
| N1 | C2 | C4 | H07 | 113.4° | 119.0° |
| S1 | C3 | C2 | H05 | 118.5° | 118.2° |
| S1 | C3 | C2 | H04 | 118.5° | 118.5° |
| S1 | C3 | C2 | C4 | 29.1° | 24.6° |
| C3 | S1 | C5 | C4 | 49.6° | 34.7° |
| C3 | S1 | C5 | C6 | 170.1° | 153.0° |
| S1 | C3 | C2 | H02 | 146.4° | 148.1° |
| S1 | C3 | H05 | H04 | 124.4° | 123.5° |
| C3 | S1 | C5 | H08 | 66.6° | 83.7° |
| C5 | S1 | C3 | C2 | 45.8° | 34.7° |
| S1 | C5 | C4 | C2 | 36.3° | 24.7° |
| S1 | C5 | C4 | N2 | 81.8° | 90.3° |
| S1 | C5 | C4 | C6 | 121.9° | 118.3° |
| S1 | C5 | C4 | H08 | 112.9° | 118.5° |
| S1 | C5 | C6 | H08 | 121.1° | 123.5° |
| S1 | C5 | C6 | C7 | 73.7° | 71.7° |
| C5 | S1 | C3 | H05 | 164.2° | 83.5° |
| C5 | S1 | C3 | H04 | 72.7° | 153.0° |
| S1 | C5 | C4 | H07 | 151.5° | 148.1° |
| S1 | C5 | C6 | H10 | 46.6° | 48.3° |
| S1 | C5 | C6 | H09 | 166.0° | 168.3° |
| C3 | C2 | C4 | H02 | 118.6° | 123.5° |
| C3 | C2 | C4 | N2 | 122.2° | 118.0° |
| C3 | C2 | C4 | C5 | 5.0° | 0.1° |
| C2 | C3 | H05 | H04 | 124.3° | 123.3° |
| C3 | C2 | C4 | H07 | 121.8° | 123.5° |
| C3 | C2 | N1 | H01 | 61.6° | 59.6° |
| C2 | C4 | N2 | C5 | 119.9° | 120.2° |
| C2 | C4 | N2 | H07 | 113.9° | 118.4° |
| C2 | C4 | C5 | H07 | 115.2° | 123.4° |
| C2 | C4 | C5 | C6 | 158.1° | 142.9° |
| C4 | C2 | C3 | H05 | 147.6° | 93.7° |
| C4 | C2 | C3 | H04 | 89.4° | 143.1° |
| C2 | C4 | C5 | H08 | 76.7° | 93.8° |
| C4 | C2 | N1 | H01 | 177.1° | 179.6° |
| C2 | C4 | N2 | H03 | 178.6° | 179.8° |
| N2 | C4 | C5 | H07 | 126.7° | 121.6° |
| N2 | C4 | C5 | C6 | 40.1° | 28.0° |
| N2 | C4 | C2 | H02 | 119.3° | 118.5° |
| N2 | C4 | C5 | H08 | 165.3° | 151.2° |
| O2 | C10 | N3 | C9 | 179.4° | 180.0° |
| O2 | C10 | N3 | C11 | 1.4° | 0.0° |
| O2 | C10 | C9 | C8 | 43.7° | 0.0° |
| O2 | C10 | C9 | H16 | 164.1° | 120.0° |
| O2 | C10 | C9 | H15 | 76.8° | 120.0° |
| O2 | C10 | N3 | H06 | 178.6° | 180.0° |
| C10 | N3 | C11 | H06 | 180.0° | 180.0° |
| N3 | C10 | C9 | C8 | 135.8° | 180.0° |
| C10 | N3 | C11 | C27 | 78.7° | 180.0° |
| N3 | C10 | C9 | H16 | 15.3° | 60.1° |
| N3 | C10 | C9 | H15 | 103.8° | 60.0° |
| C10 | N3 | C11 | H17 | 41.9° | 60.0° |
| C10 | N3 | C11 | H18 | 160.6° | 60.1° |
| C11 | N3 | C10 | C9 | 179.2° | 179.9° |
| N3 | C11 | C27 | H17 | 120.6° | 120.0° |
| N3 | C11 | C27 | H18 | 120.7° | 119.9° |
| N3 | C11 | C27 | C12 | 150.3° | 180.0° |
| N3 | C11 | H17 | H18 | 117.9° | 120.0° |
| N3 | C11 | C27 | H38 | 29.1° | 60.0° |
| N3 | C11 | C27 | H37 | 88.6° | 60.1° |
| C4 | C5 | C6 | H08 | 125.4° | 123.3° |
| C4 | C5 | C6 | C7 | 172.9° | 175.0° |
| C5 | C4 | C2 | H02 | 113.5° | 123.4° |
| C4 | C5 | C6 | H10 | 66.8° | 65.0° |
| C4 | C5 | C6 | H09 | 52.5° | 55.0° |
| C5 | C4 | N2 | H03 | 58.7° | 60.0° |
| C12 | N4 | C13 | C20 | 126.7° | 124.0° |
| N4 | C12 | C27 | C11 | 136.1° | 180.0° |
| N4 | C12 | C27 | H20 | 120.8° | 119.9° |
| N4 | C12 | C27 | H19 | 120.8° | 120.0° |
| C12 | N4 | C13 | C14 | 113.7° | 164.2° |
| C12 | N4 | C20 | C21 | 21.1° | 75.6° |
| N4 | C12 | H20 | H19 | 117.6° | 120.0° |
| C12 | N4 | C13 | H21 | 125.8° | 75.9° |
| C12 | N4 | C13 | H22 | 6.7° | 44.1° |
| C12 | N4 | C20 | H30 | 99.8° | 164.4° |
| C12 | N4 | C20 | H29 | 142.0° | 44.3° |
| N4 | C12 | C27 | H38 | 102.8° | 60.0° |
| N4 | C12 | C27 | H37 | 14.9° | 60.1° |
| C13 | N4 | C12 | C27 | 34.0° | 66.1° |
| N4 | C13 | C14 | H21 | 120.5° | 120.0° |
| N4 | C13 | C14 | H22 | 120.5° | 120.1° |
| N4 | C13 | C14 | C15 | 41.9° | 174.8° |
| C13 | N4 | C20 | C21 | 148.7° | 160.4° |
| C13 | N4 | C12 | H20 | 86.7° | 174.0° |
| C13 | N4 | C12 | H19 | 154.8° | 54.0° |
| N4 | C13 | H21 | H22 | 118.5° | 120.0° |
| N4 | C13 | C14 | H23 | 78.5° | 65.2° |
| N4 | C13 | C14 | H24 | 162.2° | 54.8° |
| C13 | N4 | C20 | H30 | 27.8° | 40.4° |
| C13 | N4 | C20 | H29 | 90.4° | 79.6° |
| C20 | N4 | C12 | C27 | 160.6° | 170.0° |
| C20 | N4 | C13 | C14 | 119.5° | 71.9° |
| N4 | C20 | C21 | H30 | 120.9° | 120.1° |
| N4 | C20 | C21 | H29 | 120.9° | 119.9° |
| N4 | C20 | C21 | C22 | 73.4° | 175.0° |
| C20 | N4 | C12 | H20 | 39.8° | 50.0° |
| C20 | N4 | C12 | H19 | 78.6° | 70.0° |
| C20 | N4 | C13 | H21 | 0.9° | 48.1° |
| C20 | N4 | C13 | H22 | 120.0° | 168.1° |
| N4 | C20 | H30 | H29 | 117.3° | 120.0° |
| N4 | C20 | C21 | H32 | 47.6° | 65.0° |
| N4 | C20 | C21 | H31 | 165.5° | 54.9° |
| C5 | C6 | C7 | H10 | 120.3° | 120.0° |
| C5 | C6 | C7 | H09 | 120.3° | 119.9° |
| C5 | C6 | C7 | C8 | 176.1° | NaN° |
| C6 | C5 | C4 | H07 | 86.6° | 93.6° |
| C5 | C6 | H10 | H09 | 119.0° | 120.0° |
| C5 | C6 | C7 | H11 | 63.8° | 60.0° |
| C5 | C6 | C7 | H12 | 56.1° | 60.1° |
| N5 | C15 | C14 | C13 | 71.3° | 55.3° |
| N5 | C15 | C14 | C19 | 178.5° | 179.7° |
| C15 | N5 | C16 | C17 | 0.3° | 0.0° |
| N5 | C15 | C19 | C18 | 0.9° | 0.3° |
| N5 | C15 | C14 | H23 | 49.1° | 175.3° |
| N5 | C15 | C14 | H24 | 168.4° | 64.7° |
| C15 | N5 | C16 | H25 | 179.7° | 179.7° |
| N5 | C15 | C19 | H28 | 179.1° | 179.8° |
| C16 | N5 | C15 | C14 | 179.2° | 180.0° |
| C16 | N5 | C15 | C19 | 0.7° | 0.3° |
| N5 | C16 | C17 | H25 | 180.0° | 179.8° |
| N5 | C16 | C17 | C18 | 0.1° | 0.2° |
| N5 | C16 | C17 | H26 | 180.0° | 179.8° |
| C6 | C7 | C8 | H11 | 120.1° | 120.0° |
| C6 | C7 | C8 | H12 | 120.0° | 119.9° |
| C6 | C7 | C8 | C9 | 175.2° | 180.0° |
| C7 | C6 | C5 | H08 | 47.4° | 51.7° |
| C7 | C6 | H10 | H09 | 119.1° | 120.0° |
| C6 | C7 | H11 | H12 | 119.9° | 120.0° |
| C6 | C7 | C8 | H14 | 64.4° | 60.0° |
| C6 | C7 | C8 | H13 | 54.8° | 60.0° |
| N6 | C22 | C21 | C20 | 9.7° | 55.3° |
| N6 | C22 | C21 | C26 | 179.9° | 179.7° |
| C22 | N6 | C23 | C24 | 0.0° | 0.0° |
| N6 | C22 | C26 | C25 | 0.0° | 0.2° |
| N6 | C22 | C21 | H32 | 111.4° | 175.3° |
| N6 | C22 | C21 | H31 | 130.8° | 64.8° |
| C22 | N6 | C23 | H33 | 180.0° | 179.7° |
| N6 | C22 | C26 | H36 | 180.0° | 179.7° |
| C23 | N6 | C22 | C21 | 180.0° | 180.0° |
| C23 | N6 | C22 | C26 | 0.0° | 0.3° |
| N6 | C23 | C24 | H33 | 180.0° | 179.7° |
| N6 | C23 | C24 | C25 | 0.0° | 0.3° |
| N6 | C23 | C24 | H34 | 180.0° | 179.8° |
| C7 | C8 | C9 | H14 | 120.4° | 120.0° |
| C7 | C8 | C9 | H13 | 120.4° | 120.0° |
| C7 | C8 | C9 | C10 | 61.0° | 180.0° |
| C8 | C7 | C6 | H10 | 55.8° | 60.0° |
| C8 | C7 | C6 | H09 | 63.6° | 60.1° |
| C8 | C7 | H11 | H12 | 119.9° | 120.0° |
| C7 | C8 | H14 | H13 | 118.7° | 120.0° |
| C7 | C8 | C9 | H16 | 59.5° | 60.0° |
| C7 | C8 | C9 | H15 | 178.6° | 60.0° |
| C8 | C9 | C10 | H16 | 120.5° | 119.9° |
| C8 | C9 | C10 | H15 | 120.5° | 120.0° |
| C9 | C8 | C7 | H11 | 55.2° | 60.0° |
| C9 | C8 | C7 | H12 | 64.7° | 60.0° |
| C9 | C8 | H14 | H13 | 118.7° | 120.0° |
| C8 | C9 | H16 | H15 | 118.5° | 120.0° |
| C10 | C9 | C8 | H14 | 178.6° | 60.0° |
| C10 | C9 | C8 | H13 | 59.4° | 60.0° |
| C10 | C9 | H16 | H15 | 118.5° | 120.0° |
| C9 | C10 | N3 | H06 | 0.8° | 0.0° |
| C11 | C27 | C12 | H38 | 121.2° | 120.1° |
| C11 | C27 | C12 | H37 | 121.2° | 119.9° |
| C27 | C11 | H17 | H18 | 118.0° | 119.9° |
| C11 | C27 | C12 | H20 | 103.2° | 60.1° |
| C11 | C27 | C12 | H19 | 15.3° | 59.9° |
| C27 | C11 | N3 | H06 | 101.3° | 0.1° |
| C11 | C27 | H38 | H37 | 116.3° | 120.0° |
| C12 | C27 | C11 | H17 | 89.1° | 59.9° |
| C12 | C27 | C11 | H18 | 29.6° | 60.1° |
| C27 | C12 | H20 | H19 | 117.6° | 120.1° |
| C12 | C27 | H38 | H37 | 116.3° | 120.0° |
| C13 | C14 | C15 | H23 | 120.4° | 120.0° |
| C13 | C14 | C15 | H24 | 120.3° | 120.0° |
| C13 | C14 | C15 | C19 | 107.2° | 125.0° |
| C14 | C13 | H21 | H22 | 118.5° | 120.0° |
| C13 | C14 | H23 | H24 | 119.0° | 119.9° |
| C14 | C15 | C19 | C18 | 179.3° | 180.0° |
| C15 | C14 | C13 | H21 | 162.3° | 65.2° |
| C15 | C14 | C13 | H22 | 78.6° | 54.7° |
| C15 | C14 | H23 | H24 | 118.9° | 120.0° |
| C14 | C15 | C19 | H28 | 0.7° | 0.0° |
| C15 | C19 | C18 | C17 | 0.6° | 0.0° |
| C15 | C19 | C18 | H28 | 180.0° | 180.0° |
| C19 | C15 | C14 | H23 | 132.5° | 5.0° |
| C19 | C15 | C14 | H24 | 13.2° | 115.0° |
| C15 | C19 | C18 | H27 | 179.3° | 179.8° |
| C16 | C17 | C18 | H26 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C16 | C17 | C18 | H27 | 179.7° | 180.0° |
| C17 | C18 | C19 | H27 | 180.0° | 179.8° |
| C18 | C17 | C16 | H25 | 179.9° | 180.0° |
| C17 | C18 | C19 | H28 | 179.3° | 180.0° |
| C19 | C18 | C17 | H26 | 179.8° | 179.8° |
| C20 | C21 | C22 | H32 | 121.1° | 120.1° |
| C20 | C21 | C22 | H31 | 121.1° | 120.0° |
| C20 | C21 | C22 | C26 | 170.4° | 125.0° |
| C21 | C20 | H30 | H29 | 117.3° | 120.0° |
| C20 | C21 | H32 | H31 | 116.6° | 120.0° |
| C21 | C22 | C26 | C25 | 179.9° | 180.0° |
| C22 | C21 | C20 | H30 | 165.7° | 54.9° |
| C22 | C21 | C20 | H29 | 47.5° | 65.1° |
| C22 | C21 | H32 | H31 | 116.7° | 119.9° |
| C21 | C22 | C26 | H36 | 0.1° | 0.1° |
| C22 | C26 | C25 | C24 | 0.0° | 0.1° |
| C22 | C26 | C25 | H36 | 180.0° | 179.9° |
| C26 | C22 | C21 | H32 | 68.6° | 4.9° |
| C26 | C22 | C21 | H31 | 49.3° | 115.0° |
| C22 | C26 | C25 | H35 | 180.0° | 179.8° |
| C23 | C24 | C25 | H34 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.3° |
| C23 | C24 | C25 | H35 | 180.0° | 180.0° |
| C24 | C25 | C26 | H35 | 180.0° | 179.7° |
| C25 | C24 | C23 | H33 | 180.0° | 180.0° |
| C24 | C25 | C26 | H36 | 180.0° | 180.0° |
| C26 | C25 | C24 | H34 | 180.0° | 179.8° |
| H02 | C2 | C3 | H05 | 95.2° | 29.9° |
| H02 | C2 | C3 | H04 | 27.9° | 93.4° |
| H02 | C2 | C4 | H07 | 3.2° | 0.1° |
| H02 | C2 | N1 | H01 | 63.0° | 61.8° |
| H07 | C4 | C5 | H08 | 38.6° | 29.6° |
| H07 | C4 | N2 | H03 | 67.5° | 61.4° |
| H08 | C5 | C6 | H10 | 167.8° | 171.8° |
| H08 | C5 | C6 | H09 | 72.9° | 68.2° |
| H10 | C6 | C7 | H11 | 175.9° | 180.0° |
| H10 | C6 | C7 | H12 | 64.2° | 59.9° |
| H09 | C6 | C7 | H11 | 56.5° | 59.9° |
| H09 | C6 | C7 | H12 | 176.4° | 180.0° |
| H11 | C7 | C8 | H14 | 175.6° | 180.0° |
| H11 | C7 | C8 | H13 | 65.2° | 60.0° |
| H12 | C7 | C8 | H14 | 55.7° | 60.0° |
| H12 | C7 | C8 | H13 | 174.9° | 179.9° |
| H14 | C8 | C9 | H16 | 60.9° | 180.0° |
| H14 | C8 | C9 | H15 | 58.1° | 60.0° |
| H13 | C8 | C9 | H16 | 179.9° | 60.0° |
| H13 | C8 | C9 | H15 | 61.0° | 180.0° |
| H17 | C11 | N3 | H06 | 138.1° | 120.0° |
| H17 | C11 | C27 | H38 | 149.7° | 180.0° |
| H17 | C11 | C27 | H37 | 32.1° | 60.0° |
| H18 | C11 | N3 | H06 | 19.4° | 120.0° |
| H18 | C11 | C27 | H38 | 91.6° | 60.0° |
| H18 | C11 | C27 | H37 | 150.8° | 180.0° |
| H20 | C12 | C27 | H38 | 18.0° | 59.9° |
| H20 | C12 | C27 | H37 | 135.6° | 180.0° |
| H19 | C12 | C27 | H38 | 136.4° | 180.0° |
| H19 | C12 | C27 | H37 | 105.9° | 60.0° |
| H21 | C13 | C14 | H23 | 41.9° | 54.9° |
| H21 | C13 | C14 | H24 | 77.4° | 174.8° |
| H22 | C13 | C14 | H23 | 161.0° | 174.8° |
| H22 | C13 | C14 | H24 | 41.7° | 65.3° |
| H25 | C16 | C17 | H26 | 0.1° | 0.0° |
| H26 | C17 | C18 | H27 | 0.3° | 0.0° |
| H27 | C18 | C19 | H28 | 0.7° | 0.2° |
| H30 | C20 | C21 | H32 | 73.2° | 174.9° |
| H30 | C20 | C21 | H31 | 44.6° | 65.1° |
| H29 | C20 | C21 | H32 | 168.5° | 54.9° |
| H29 | C20 | C21 | H31 | 73.6° | 174.9° |
| H33 | C23 | C24 | H34 | 0.0° | 0.1° |
| H34 | C24 | C25 | H35 | 0.1° | 0.1° |
| H35 | C25 | C26 | H36 | 0.1° | 0.3° |
