A1BV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.41Å | |
| C5 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| C6 | O1 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.49Å | 1.49Å | |
| C7 | O2 | doub | 1.21Å | 1.21Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C20 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | S | sing | 1.76Å | 1.76Å | Aromatic |
| C17 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| S | C18 | sing | 1.71Å | 1.71Å | Aromatic |
| C18 | N3 | doub | 1.28Å | 1.28Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| N3 | C19 | sing | 1.35Å | 1.35Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C26 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C24 | sing | 1.47Å | 1.47Å | |
| N4 | C25 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | N5 | sing | 1.32Å | 1.32Å | Aromatic |
| N5 | C28 | doub | 1.32Å | 1.32Å | Aromatic |
| C28 | N6 | sing | 1.39Å | 1.39Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.8° | 120.4° |
| C2 | C3 | C28 | 120.0° | 120.4° |
| C3 | C2 | H5 | 109.5° | 109.4° |
| C3 | C2 | H4 | 109.5° | 109.4° |
| C4 | C3 | C28 | 119.2° | 119.1° |
| C3 | C4 | C5 | 119.1° | 118.4° |
| C3 | C4 | H6 | 120.4° | 120.8° |
| C3 | C28 | N5 | 120.4° | 120.8° |
| C3 | C28 | N6 | 120.0° | 119.6° |
| C4 | C5 | N1 | 119.0° | 120.4° |
| C4 | C5 | C27 | 118.0° | 119.2° |
| C5 | C4 | H6 | 120.5° | 120.8° |
| N1 | C5 | C27 | 122.9° | 120.4° |
| C5 | N1 | C6 | 126.3° | 120.0° |
| C5 | N1 | H7 | 116.9° | 120.0° |
| C5 | C27 | N5 | 121.3° | 120.7° |
| C5 | C27 | H34 | 119.3° | 119.6° |
| N1 | C6 | O1 | 122.7° | 120.0° |
| N1 | C6 | C7 | 118.5° | 120.0° |
| C6 | N1 | H7 | 116.8° | 120.0° |
| O1 | C6 | C7 | 118.7° | 120.0° |
| C6 | C7 | O2 | 120.0° | 120.0° |
| C6 | C7 | N2 | 120.1° | 120.0° |
| O2 | C7 | N2 | 119.9° | 120.0° |
| C7 | N2 | C8 | 119.8° | 120.6° |
| C7 | N2 | C13 | 120.3° | 120.7° |
| C8 | N2 | C13 | 119.9° | 118.7° |
| N2 | C8 | C9 | 110.2° | 108.8° |
| N2 | C8 | H9 | 109.3° | 109.6° |
| N2 | C8 | H8 | 109.3° | 109.7° |
| N2 | C13 | C12 | 110.4° | 108.8° |
| N2 | C13 | C14 | 110.2° | 109.6° |
| N2 | C13 | H18 | 108.6° | 109.5° |
| C8 | C9 | C10 | 110.4° | 109.5° |
| C8 | C9 | C11 | 109.1° | 109.3° |
| C9 | C8 | H9 | 109.3° | 109.6° |
| C9 | C8 | H8 | 109.3° | 109.6° |
| C8 | C9 | H10 | 109.0° | 109.5° |
| C10 | C9 | C11 | 110.5° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.4° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.4° | 109.4° |
| C10 | C9 | H10 | 108.9° | 109.4° |
| C9 | C11 | C12 | 111.0° | 109.5° |
| C9 | C11 | H15 | 109.1° | 109.5° |
| C9 | C11 | H14 | 109.1° | 109.5° |
| C11 | C9 | H10 | 109.0° | 109.5° |
| C11 | C12 | C13 | 111.7° | 109.3° |
| C12 | C11 | H15 | 109.1° | 109.4° |
| C12 | C11 | H14 | 109.1° | 109.5° |
| C11 | C12 | H17 | 108.9° | 109.5° |
| C11 | C12 | H16 | 108.9° | 109.5° |
| C12 | C13 | C14 | 111.8° | 109.6° |
| C12 | C13 | H18 | 107.8° | 109.7° |
| C13 | C12 | H17 | 108.9° | 109.5° |
| C13 | C12 | H16 | 108.9° | 109.5° |
| C13 | C14 | C15 | 119.3° | 119.6° |
| C13 | C14 | C20 | 120.3° | 119.6° |
| C14 | C13 | H18 | 108.1° | 109.6° |
| C15 | C14 | C20 | 120.4° | 120.8° |
| C14 | C15 | C16 | 120.5° | 120.1° |
| C14 | C15 | H19 | 119.8° | 120.0° |
| C14 | C20 | C19 | 120.5° | 120.4° |
| C14 | C20 | H21 | 119.8° | 119.7° |
| C15 | C16 | C17 | 119.7° | 119.9° |
| C16 | C15 | H19 | 119.8° | 119.9° |
| C15 | C16 | H20 | 120.1° | 120.0° |
| C16 | C17 | S | 131.6° | 131.7° |
| C16 | C17 | C19 | 120.4° | 120.3° |
| C17 | C16 | H20 | 120.1° | 120.1° |
| S | C17 | C19 | 108.0° | 108.0° |
| C17 | S | C18 | 90.8° | 90.8° |
| C17 | C19 | N3 | 111.8° | 111.8° |
| C17 | C19 | C20 | 118.5° | 118.5° |
| S | C18 | N3 | 111.6° | 111.5° |
| S | C18 | C21 | 124.1° | 124.2° |
| N3 | C18 | C21 | 124.3° | 124.2° |
| C18 | N3 | C19 | 117.8° | 117.8° |
| C18 | C21 | C22 | 109.9° | 109.5° |
| C18 | C21 | C26 | 109.9° | 109.5° |
| C18 | C21 | H22 | 109.5° | 109.6° |
| N3 | C19 | C20 | 129.8° | 129.6° |
| C19 | C20 | H21 | 119.7° | 119.8° |
| C22 | C21 | C26 | 109.1° | 109.1° |
| C21 | C22 | C23 | 108.9° | 109.3° |
| C22 | C21 | H22 | 109.2° | 109.5° |
| C21 | C22 | H23 | 109.6° | 109.5° |
| C21 | C22 | H24 | 109.6° | 109.6° |
| C21 | C26 | C25 | 108.7° | 109.3° |
| C26 | C21 | H22 | 109.2° | 109.5° |
| C21 | C26 | H32 | 109.6° | 109.5° |
| C21 | C26 | H33 | 109.7° | 109.5° |
| C22 | C23 | N4 | 109.8° | 109.5° |
| C23 | C22 | H23 | 109.6° | 109.5° |
| C23 | C22 | H24 | 109.6° | 109.5° |
| C22 | C23 | H26 | 109.4° | 109.4° |
| C22 | C23 | H25 | 109.4° | 109.5° |
| C23 | N4 | C24 | 110.9° | 111.0° |
| C23 | N4 | C25 | 111.7° | 111.2° |
| N4 | C23 | H26 | 109.4° | 109.4° |
| N4 | C23 | H25 | 109.4° | 109.5° |
| C24 | N4 | C25 | 110.8° | 111.0° |
| N4 | C24 | H29 | 109.5° | 109.4° |
| N4 | C24 | H28 | 109.4° | 109.5° |
| N4 | C24 | H27 | 109.5° | 109.5° |
| N4 | C25 | C26 | 109.5° | 109.5° |
| N4 | C25 | H30 | 109.4° | 109.5° |
| N4 | C25 | H31 | 109.5° | 109.5° |
| C25 | C26 | H32 | 109.7° | 109.6° |
| C25 | C26 | H33 | 109.7° | 109.6° |
| C26 | C25 | H30 | 109.5° | 109.4° |
| C26 | C25 | H31 | 109.4° | 109.5° |
| C27 | N5 | C28 | 122.0° | 121.7° |
| N5 | C27 | H34 | 119.3° | 119.6° |
| N5 | C28 | N6 | 119.6° | 119.6° |
| C28 | N6 | H36 | 109.5° | 120.0° |
| C28 | N6 | H35 | 109.5° | 120.1° |
| H9 | C8 | H8 | 109.4° | 109.6° |
| H13 | C10 | H12 | 109.5° | 109.4° |
| H13 | C10 | H11 | 109.5° | 109.5° |
| H12 | C10 | H11 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H29 | C24 | H28 | 109.5° | 109.5° |
| H29 | C24 | H27 | 109.5° | 109.5° |
| H28 | C24 | H27 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H15 | C11 | H14 | 109.5° | 109.5° |
| H17 | C12 | H16 | 109.5° | 109.4° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H26 | C23 | H25 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.4° |
| H36 | N6 | H35 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 120.0° | 120.1° |
| C1 | C2 | C3 | C4 | 5.9° | 99.9° |
| C1 | C2 | C3 | C28 | 174.1° | 80.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | C2 | H5 | H4 | 120.0° | 120.0° |
| C2 | C3 | C4 | C28 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C28 | N5 | 179.9° | 179.5° |
| C2 | C3 | C28 | N6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H6 | 0.2° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 180.0° |
| C3 | C2 | H5 | H4 | 120.1° | 120.0° |
| C3 | C4 | C5 | H6 | 180.0° | 179.7° |
| C3 | C4 | C5 | N1 | 179.9° | 179.7° |
| C3 | C4 | C5 | C27 | 0.5° | 0.3° |
| C4 | C3 | C28 | N5 | 0.1° | 0.4° |
| C4 | C3 | C28 | N6 | 179.9° | 180.0° |
| C4 | C3 | C2 | H5 | 114.1° | 20.0° |
| C4 | C3 | C2 | H4 | 125.9° | 140.0° |
| C28 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C28 | N5 | C27 | 0.1° | 0.8° |
| C3 | C28 | N5 | N6 | 179.7° | 179.6° |
| C28 | C3 | C4 | H6 | 179.9° | 179.8° |
| C28 | C3 | C2 | H5 | 65.9° | 160.1° |
| C28 | C3 | C2 | H4 | 54.1° | 40.1° |
| C3 | C28 | N6 | H36 | 179.7° | 0.0° |
| C3 | C28 | N6 | H35 | 60.2° | 180.0° |
| C4 | C5 | N1 | C27 | 179.4° | 180.0° |
| C4 | C5 | N1 | C6 | 155.3° | 29.8° |
| C4 | C5 | C27 | N5 | 0.6° | 0.1° |
| C4 | C5 | N1 | H7 | 24.7° | 149.9° |
| C4 | C5 | C27 | H34 | 179.4° | 179.9° |
| C5 | N1 | C6 | H7 | 180.0° | 179.8° |
| C5 | N1 | C6 | O1 | 0.8° | 6.2° |
| C5 | N1 | C6 | C7 | 179.6° | 173.7° |
| N1 | C5 | C27 | N5 | 179.9° | 179.9° |
| N1 | C5 | C4 | H6 | 0.1° | 0.1° |
| N1 | C5 | C27 | H34 | 0.1° | 0.1° |
| C27 | C5 | N1 | C6 | 25.3° | 150.2° |
| C5 | C27 | N5 | H34 | 180.0° | 179.9° |
| C5 | C27 | N5 | C28 | 0.3° | 0.6° |
| C27 | C5 | N1 | H7 | 154.7° | 30.1° |
| C27 | C5 | C4 | H6 | 179.5° | 179.9° |
| N1 | C6 | O1 | C7 | 179.6° | 179.9° |
| N1 | C6 | C7 | O2 | 71.8° | 7.1° |
| N1 | C6 | C7 | N2 | 107.8° | 173.0° |
| O1 | C6 | C7 | O2 | 107.8° | 173.0° |
| O1 | C6 | C7 | N2 | 72.5° | 6.9° |
| O1 | C6 | N1 | H7 | 179.2° | 174.0° |
| C6 | C7 | O2 | N2 | 179.7° | 179.9° |
| C6 | C7 | N2 | C8 | 180.0° | 7.2° |
| C6 | C7 | N2 | C13 | 0.3° | 172.8° |
| C7 | C6 | N1 | H7 | 0.5° | 6.1° |
| O2 | C7 | N2 | C8 | 0.3° | 172.8° |
| O2 | C7 | N2 | C13 | 180.0° | 7.3° |
| C7 | N2 | C8 | C13 | 179.7° | 180.0° |
| C7 | N2 | C8 | C9 | 129.4° | 126.5° |
| C7 | N2 | C13 | C12 | 133.8° | 126.4° |
| C7 | N2 | C13 | C14 | 102.3° | 6.6° |
| C7 | N2 | C8 | H9 | 110.5° | 113.8° |
| C7 | N2 | C8 | H8 | 9.2° | 6.6° |
| C7 | N2 | C13 | H18 | 15.9° | 113.6° |
| N2 | C8 | C9 | H9 | 120.1° | 119.8° |
| N2 | C8 | C9 | H8 | 120.1° | 119.9° |
| N2 | C8 | C9 | C10 | 66.9° | 174.6° |
| N2 | C8 | C9 | C11 | 54.6° | 54.6° |
| C8 | N2 | C13 | C12 | 46.5° | 53.6° |
| C8 | N2 | C13 | C14 | 77.4° | 173.4° |
| N2 | C8 | H9 | H8 | 119.6° | 120.4° |
| C8 | N2 | C13 | H18 | 164.4° | 66.4° |
| N2 | C8 | C9 | H10 | 173.5° | 65.4° |
| C13 | N2 | C8 | C9 | 50.9° | 53.6° |
| N2 | C13 | C12 | C11 | 47.2° | 54.6° |
| N2 | C13 | C12 | C14 | 123.0° | 119.8° |
| N2 | C13 | C12 | H18 | 118.4° | 119.8° |
| N2 | C13 | C14 | H18 | 118.5° | 120.2° |
| N2 | C13 | C14 | C15 | 31.8° | 70.4° |
| N2 | C13 | C14 | C20 | 149.0° | 109.6° |
| C13 | N2 | C8 | H9 | 69.2° | 66.2° |
| C13 | N2 | C8 | H8 | 171.1° | 173.4° |
| N2 | C13 | C12 | H17 | 167.5° | 174.7° |
| N2 | C13 | C12 | H16 | 73.2° | 65.3° |
| C8 | C9 | C10 | C11 | 120.7° | 119.9° |
| C8 | C9 | C10 | H10 | 119.6° | 120.0° |
| C8 | C9 | C11 | H10 | 118.8° | 120.0° |
| C8 | C9 | C11 | C12 | 59.8° | 61.3° |
| C9 | C8 | H9 | H8 | 119.7° | 120.3° |
| C8 | C9 | C10 | H13 | 180.0° | 60.0° |
| C8 | C9 | C10 | H12 | 60.0° | 180.0° |
| C8 | C9 | C10 | H11 | 60.0° | 59.9° |
| C8 | C9 | C11 | H15 | 60.4° | 58.6° |
| C8 | C9 | C11 | H14 | 180.0° | 178.6° |
| C10 | C9 | C11 | H10 | 119.6° | 120.0° |
| C10 | C9 | C11 | C12 | 61.7° | 178.6° |
| C10 | C9 | C8 | H9 | 172.9° | 54.8° |
| C10 | C9 | C8 | H8 | 53.2° | 65.4° |
| C9 | C10 | H13 | H12 | 120.0° | 120.0° |
| C9 | C10 | H13 | H11 | 120.0° | 119.9° |
| C9 | C10 | H12 | H11 | 119.9° | 120.0° |
| C10 | C9 | C11 | H15 | 178.1° | 61.4° |
| C10 | C9 | C11 | H14 | 58.5° | 58.6° |
| C9 | C11 | C12 | H15 | 120.2° | 120.0° |
| C9 | C11 | C12 | H14 | 120.2° | 120.0° |
| C9 | C11 | C12 | C13 | 56.6° | 61.4° |
| C11 | C9 | C8 | H9 | 65.5° | 65.2° |
| C11 | C9 | C8 | H8 | 174.8° | 174.6° |
| C11 | C9 | C10 | H13 | 59.3° | 59.9° |
| C11 | C9 | C10 | H12 | 179.3° | 60.1° |
| C11 | C9 | C10 | H11 | 60.7° | 179.8° |
| C9 | C11 | H15 | H14 | 119.3° | 120.0° |
| C9 | C11 | C12 | H17 | 177.0° | 178.6° |
| C9 | C11 | C12 | H16 | 63.7° | 58.6° |
| C11 | C12 | C13 | H17 | 120.3° | 120.0° |
| C11 | C12 | C13 | H16 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 75.8° | 174.4° |
| C11 | C12 | C13 | H18 | 165.6° | 65.2° |
| C12 | C11 | H15 | H14 | 119.3° | 120.0° |
| C11 | C12 | H17 | H16 | 118.9° | 120.1° |
| C12 | C11 | C9 | H10 | 178.7° | 58.6° |
| C12 | C13 | C14 | H18 | 118.4° | 120.5° |
| C12 | C13 | C14 | C15 | 154.9° | 48.9° |
| C12 | C13 | C14 | C20 | 25.9° | 131.1° |
| C13 | C12 | C11 | H15 | 63.6° | 58.6° |
| C13 | C12 | C11 | H14 | 176.8° | 178.6° |
| C13 | C12 | H17 | H16 | 119.0° | 120.0° |
| C13 | C14 | C15 | C20 | 179.2° | 180.0° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C20 | C19 | 179.8° | 180.0° |
| C13 | C14 | C15 | H19 | 0.2° | 0.0° |
| C13 | C14 | C20 | H21 | 0.2° | 0.0° |
| C14 | C13 | C12 | H17 | 44.5° | 65.6° |
| C14 | C13 | C12 | H16 | 163.8° | 54.4° |
| C14 | C15 | C16 | H19 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C14 | C20 | C19 | 0.6° | 0.0° |
| C15 | C14 | C13 | H18 | 86.7° | 169.4° |
| C15 | C14 | C20 | H21 | 179.4° | 180.0° |
| C14 | C15 | C16 | H20 | 179.7° | 180.0° |
| C20 | C14 | C15 | C16 | 0.6° | 0.1° |
| C14 | C20 | C19 | C17 | 0.3° | 0.1° |
| C14 | C20 | C19 | N3 | 179.7° | 180.0° |
| C14 | C20 | C19 | H21 | 180.0° | 180.0° |
| C20 | C14 | C13 | H18 | 92.5° | 10.6° |
| C20 | C14 | C15 | H19 | 179.4° | 180.0° |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C15 | C16 | C17 | S | 180.0° | 179.9° |
| C15 | C16 | C17 | C19 | 0.0° | 0.1° |
| C16 | C17 | S | C19 | 179.9° | 180.0° |
| C16 | C17 | S | C18 | 179.9° | 179.9° |
| C16 | C17 | C19 | N3 | 180.0° | 180.0° |
| C16 | C17 | C19 | C20 | 0.0° | 0.1° |
| C17 | C16 | C15 | H19 | 179.7° | 180.0° |
| C17 | S | C18 | N3 | 0.1° | 0.0° |
| C17 | S | C18 | C21 | 179.8° | 180.0° |
| S | C17 | C19 | N3 | 0.0° | 0.0° |
| S | C17 | C19 | C20 | 180.0° | 179.9° |
| S | C17 | C16 | H20 | 0.0° | 0.0° |
| C19 | C17 | S | C18 | 0.0° | 0.0° |
| C17 | C19 | N3 | C18 | 0.1° | 0.0° |
| C17 | C19 | N3 | C20 | 180.0° | 179.9° |
| C17 | C19 | C20 | H21 | 179.7° | 180.0° |
| C19 | C17 | C16 | H20 | 180.0° | 180.0° |
| S | C18 | N3 | C21 | 179.7° | 179.9° |
| S | C18 | N3 | C19 | 0.1° | 0.0° |
| S | C18 | C21 | C22 | 162.6° | 59.9° |
| S | C18 | C21 | C26 | 42.5° | 59.7° |
| S | C18 | C21 | H22 | 77.4° | 179.9° |
| C18 | N3 | C19 | C20 | 179.9° | 180.0° |
| N3 | C18 | C21 | C22 | 17.7° | 120.0° |
| N3 | C18 | C21 | C26 | 137.8° | 120.4° |
| N3 | C18 | C21 | H22 | 102.2° | 0.2° |
| C21 | C18 | N3 | C19 | 179.8° | 180.0° |
| C18 | C21 | C22 | C26 | 120.6° | 119.9° |
| C18 | C21 | C22 | H22 | 120.2° | 120.3° |
| C18 | C21 | C26 | H22 | 120.2° | 120.2° |
| C18 | C21 | C22 | C23 | 179.3° | 177.5° |
| C18 | C21 | C26 | C25 | 179.8° | 177.5° |
| C18 | C21 | C22 | H23 | 60.8° | 62.5° |
| C18 | C21 | C22 | H24 | 59.3° | 57.6° |
| C18 | C21 | C26 | H32 | 59.9° | 57.5° |
| C18 | C21 | C26 | H33 | 60.3° | 62.4° |
| N3 | C19 | C20 | H21 | 0.3° | 0.0° |
| C22 | C21 | C26 | H22 | 119.2° | 119.9° |
| C21 | C22 | C23 | H23 | 119.9° | 119.9° |
| C21 | C22 | C23 | H24 | 119.9° | 120.0° |
| C21 | C22 | C23 | N4 | 58.7° | 59.2° |
| C22 | C21 | C26 | C25 | 59.2° | 57.6° |
| C21 | C22 | H23 | H24 | 120.2° | 120.1° |
| C22 | C21 | C26 | H32 | 60.7° | 62.4° |
| C22 | C21 | C26 | H33 | 179.1° | 177.7° |
| C21 | C22 | C23 | H26 | 61.4° | 60.8° |
| C21 | C22 | C23 | H25 | 178.7° | 179.2° |
| C26 | C21 | C22 | C23 | 58.7° | 57.6° |
| C21 | C26 | C25 | N4 | 59.6° | 59.2° |
| C21 | C26 | C25 | H32 | 119.9° | 120.0° |
| C21 | C26 | C25 | H33 | 119.9° | 119.9° |
| C26 | C21 | C22 | H23 | 178.6° | 177.6° |
| C26 | C21 | C22 | H24 | 61.2° | 62.3° |
| C21 | C26 | H32 | H33 | 120.3° | 120.0° |
| C21 | C26 | C25 | H30 | 60.4° | 179.2° |
| C21 | C26 | C25 | H31 | 179.7° | 60.8° |
| C22 | C23 | N4 | H26 | 120.1° | 119.9° |
| C22 | C23 | N4 | H25 | 120.1° | 120.1° |
| C22 | C23 | N4 | C24 | 175.4° | 174.2° |
| C22 | C23 | N4 | C25 | 60.5° | 61.7° |
| C23 | C22 | C21 | H22 | 60.6° | 62.2° |
| C23 | C22 | H23 | H24 | 120.3° | 120.0° |
| C22 | C23 | H26 | H25 | 119.8° | 120.0° |
| C23 | N4 | C24 | C25 | 124.6° | 124.2° |
| C23 | N4 | C25 | C26 | 61.0° | 61.7° |
| N4 | C23 | C22 | H23 | 178.6° | 179.1° |
| N4 | C23 | C22 | H24 | 61.2° | 60.9° |
| C23 | N4 | C24 | H29 | 180.0° | 60.0° |
| C23 | N4 | C24 | H28 | 60.0° | 180.0° |
| C23 | N4 | C24 | H27 | 60.0° | 60.0° |
| N4 | C23 | H26 | H25 | 119.8° | 120.0° |
| C23 | N4 | C25 | H30 | 59.0° | 178.2° |
| C23 | N4 | C25 | H31 | 179.0° | 58.3° |
| C24 | N4 | C25 | C26 | 174.9° | 174.1° |
| N4 | C24 | H29 | H28 | 120.0° | 120.0° |
| N4 | C24 | H29 | H27 | 120.0° | 120.0° |
| N4 | C24 | H28 | H27 | 120.0° | 120.0° |
| C24 | N4 | C23 | H26 | 64.6° | 65.9° |
| C24 | N4 | C23 | H25 | 55.3° | 54.1° |
| C24 | N4 | C25 | H30 | 65.1° | 54.1° |
| C24 | N4 | C25 | H31 | 54.9° | 65.8° |
| N4 | C25 | C26 | H30 | 120.0° | 120.1° |
| N4 | C25 | C26 | H31 | 120.0° | 120.0° |
| C25 | N4 | C24 | H29 | 55.4° | 175.8° |
| C25 | N4 | C24 | H28 | 64.6° | 55.8° |
| C25 | N4 | C24 | H27 | 175.4° | 64.2° |
| N4 | C25 | C26 | H32 | 60.2° | 60.8° |
| N4 | C25 | C26 | H33 | 179.5° | 179.1° |
| C25 | N4 | C23 | H26 | 59.5° | 58.3° |
| C25 | N4 | C23 | H25 | 179.4° | 178.2° |
| N4 | C25 | H30 | H31 | 120.0° | 120.0° |
| C25 | C26 | C21 | H22 | 60.1° | 62.2° |
| C25 | C26 | H32 | H33 | 120.4° | 120.2° |
| C26 | C25 | H30 | H31 | 120.0° | 119.9° |
| C27 | N5 | C28 | N6 | 179.8° | 179.6° |
| C28 | N5 | C27 | H34 | 179.7° | 179.5° |
| N5 | C28 | N6 | H36 | 0.0° | 179.5° |
| N5 | C28 | N6 | H35 | 120.0° | 0.4° |
| C28 | N6 | H36 | H35 | 120.0° | 180.0° |
| H9 | C8 | C9 | H10 | 53.3° | 174.8° |
| H8 | C8 | C9 | H10 | 66.4° | 54.6° |
| H13 | C10 | H12 | H11 | 120.0° | 120.0° |
| H13 | C10 | C9 | H10 | 60.4° | 179.9° |
| H12 | C10 | C9 | H10 | 59.6° | 60.0° |
| H11 | C10 | C9 | H10 | 179.6° | 60.1° |
| H18 | C13 | C12 | H17 | 74.1° | 54.8° |
| H18 | C13 | C12 | H16 | 45.2° | 174.8° |
| H19 | C15 | C16 | H20 | 0.3° | 0.1° |
| H22 | C21 | C22 | H23 | 59.4° | 57.7° |
| H22 | C21 | C22 | H24 | 179.5° | 177.8° |
| H22 | C21 | C26 | H32 | 179.9° | 177.8° |
| H22 | C21 | C26 | H33 | 59.9° | 57.8° |
| H23 | C22 | C23 | H26 | 58.6° | 59.1° |
| H23 | C22 | C23 | H25 | 61.3° | 60.8° |
| H24 | C22 | C23 | H26 | 178.7° | 179.2° |
| H24 | C22 | C23 | H25 | 58.8° | 59.2° |
| H29 | C24 | H28 | H27 | 120.0° | 120.1° |
| H32 | C26 | C25 | H30 | 179.8° | 59.3° |
| H32 | C26 | C25 | H31 | 59.8° | 179.2° |
| H33 | C26 | C25 | H30 | 59.5° | 60.8° |
| H33 | C26 | C25 | H31 | 60.5° | 59.1° |
| H2 | C1 | H3 | H1 | 120.0° | 119.9° |
| H2 | C1 | C2 | H5 | 60.0° | 60.0° |
| H2 | C1 | C2 | H4 | 60.0° | 180.0° |
| H3 | C1 | C2 | H5 | 60.0° | 180.0° |
| H3 | C1 | C2 | H4 | 180.0° | 60.0° |
| H1 | C1 | C2 | H5 | 180.0° | 60.0° |
| H1 | C1 | C2 | H4 | 60.0° | 60.0° |
| H15 | C11 | C12 | H17 | 56.7° | 61.3° |
| H15 | C11 | C12 | H16 | 176.1° | 178.6° |
| H15 | C11 | C9 | H10 | 58.4° | 178.6° |
| H14 | C11 | C12 | H17 | 62.8° | 58.6° |
| H14 | C11 | C12 | H16 | 56.5° | 61.4° |
| H14 | C11 | C9 | H10 | 61.1° | 61.4° |
