A1BZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N4 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | N4 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| O2 | C1 | doub | 1.22Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| N3 | C14 | sing | 1.47Å | 1.45Å | |
| N3 | C8 | sing | 1.38Å | 1.39Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| N1 | C8 | doub | 1.31Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.46Å | 1.46Å | Aromatic |
| C19 | N5 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C1 | N | sing | 1.35Å | 1.38Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| S | O | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.67Å | |
| S | C | sing | 1.81Å | 1.74Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C26 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| CL | C25 | sing | 1.74Å | 1.73Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C13 | sing | 1.47Å | 1.45Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C27 | sing | 1.48Å | 1.49Å | |
| C10 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C4 | H25 | sing | 1.08Å | 1.08Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| N4 | H28 | sing | 1.01Å | 1.00Å | |
| N5 | H30 | sing | 1.01Å | 1.00Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H33 | sing | 1.08Å | 1.08Å | |
| N | H34 | sing | 0.97Å | 1.00Å | |
| C | H35 | sing | 1.09Å | 1.10Å | |
| C | H36 | sing | 1.09Å | 1.10Å | |
| C | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C15 | C14 | 111.9° | 109.5° |
| C15 | N4 | C16 | 113.6° | 111.0° |
| N4 | C15 | H11 | 108.9° | 109.4° |
| N4 | C15 | H12 | 108.8° | 109.5° |
| C15 | N4 | H28 | 108.4° | 111.1° |
| C15 | C14 | N3 | 107.4° | 109.5° |
| C15 | C14 | H9 | 110.0° | 109.5° |
| C15 | C14 | H10 | 110.0° | 109.5° |
| C14 | C15 | H11 | 108.8° | 109.5° |
| C14 | C15 | H12 | 108.8° | 109.5° |
| N4 | C16 | C17 | 110.5° | 109.5° |
| N4 | C16 | H4 | 109.2° | 109.5° |
| N4 | C16 | H5 | 109.2° | 109.5° |
| C16 | N4 | H28 | 108.4° | 111.0° |
| C16 | C17 | C18 | 117.5° | 109.5° |
| C17 | C16 | H4 | 109.2° | 109.4° |
| C17 | C16 | H5 | 109.2° | 109.5° |
| C16 | C17 | H6 | 107.4° | 109.5° |
| C16 | C17 | H7 | 107.4° | 109.5° |
| C17 | C18 | C19 | 107.8° | 109.5° |
| C18 | C17 | H6 | 107.4° | 109.5° |
| C18 | C17 | H7 | 107.4° | 109.5° |
| C17 | C18 | H13 | 109.9° | 109.5° |
| C17 | C18 | H14 | 109.9° | 109.5° |
| O2 | C1 | C2 | 121.8° | 120.0° |
| O2 | C1 | N | 121.5° | 120.0° |
| C18 | C19 | N5 | 113.6° | 109.5° |
| C19 | C18 | H13 | 109.9° | 109.4° |
| C19 | C18 | H14 | 109.9° | 109.5° |
| C18 | C19 | H15 | 108.4° | 109.4° |
| C18 | C19 | H16 | 108.4° | 109.5° |
| C14 | N3 | C8 | 128.0° | 120.0° |
| N3 | C14 | H9 | 110.0° | 109.4° |
| N3 | C14 | H10 | 110.0° | 109.5° |
| C14 | N3 | H27 | 104.7° | 120.0° |
| N3 | C8 | N1 | 113.6° | 119.7° |
| N3 | C8 | C9 | 125.8° | 119.7° |
| C8 | N3 | H27 | 104.7° | 120.0° |
| O1 | S | O | 118.3° | 121.0° |
| O1 | S | N | 109.7° | 104.3° |
| O1 | S | C | 108.6° | 110.5° |
| C8 | N1 | C6 | 121.9° | 123.4° |
| N1 | C8 | C9 | 120.4° | 120.6° |
| N1 | C6 | C7 | 117.6° | 120.0° |
| N1 | C6 | C5 | 122.7° | 121.1° |
| C6 | C7 | C2 | 121.0° | 119.8° |
| C7 | C6 | C5 | 119.7° | 119.0° |
| C6 | C7 | H26 | 119.5° | 120.1° |
| C7 | C2 | C1 | 117.8° | 119.8° |
| C7 | C2 | C3 | 119.1° | 120.4° |
| C2 | C7 | H26 | 119.5° | 120.1° |
| C8 | C9 | C10 | 124.3° | 123.0° |
| C8 | C9 | C13 | 118.2° | 118.7° |
| C19 | N5 | C20 | 111.6° | 111.0° |
| N5 | C19 | H15 | 108.4° | 109.5° |
| N5 | C19 | H16 | 108.4° | 109.5° |
| C19 | N5 | H30 | 109.0° | 111.0° |
| C2 | C1 | N | 116.7° | 120.0° |
| C1 | C2 | C3 | 122.9° | 119.8° |
| C1 | N | S | 124.2° | 120.0° |
| C1 | N | H34 | 117.9° | 119.9° |
| N5 | C20 | C21 | 114.5° | 109.5° |
| N5 | C20 | H17 | 108.2° | 109.5° |
| N5 | C20 | H18 | 108.2° | 109.5° |
| C20 | N5 | H30 | 108.9° | 111.0° |
| C6 | C5 | C13 | 117.1° | 118.5° |
| C6 | C5 | C4 | 117.8° | 120.2° |
| O | S | N | 106.3° | 104.3° |
| O | S | C | 108.4° | 110.5° |
| N | S | C | 104.7° | 104.5° |
| S | N | H34 | 117.9° | 120.0° |
| S | C | H35 | 109.5° | 109.5° |
| S | C | H36 | 109.5° | 109.5° |
| S | C | H37 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.6° | 120.5° |
| C2 | C3 | H1 | 119.7° | 119.8° |
| C31 | C32 | C27 | 120.7° | 119.9° |
| C32 | C31 | C30 | 120.2° | 120.1° |
| C31 | C32 | H32 | 119.7° | 120.1° |
| C32 | C31 | H33 | 119.9° | 120.0° |
| C32 | C27 | C24 | 120.7° | 120.1° |
| C32 | C27 | C28 | 118.3° | 119.8° |
| C27 | C32 | H32 | 119.7° | 120.1° |
| C20 | C21 | C26 | 120.9° | 119.9° |
| C20 | C21 | C22 | 120.8° | 119.9° |
| C21 | C20 | H17 | 108.2° | 109.5° |
| C21 | C20 | H18 | 108.2° | 109.5° |
| C21 | C26 | C25 | 120.4° | 120.1° |
| C26 | C21 | C22 | 118.3° | 120.3° |
| C21 | C26 | H21 | 119.8° | 119.9° |
| C26 | C25 | CL | 118.1° | 120.1° |
| C26 | C25 | C24 | 121.8° | 119.8° |
| C25 | C26 | H21 | 119.8° | 120.0° |
| CL | C25 | C24 | 120.1° | 120.1° |
| C21 | C22 | C23 | 121.2° | 120.2° |
| C21 | C22 | H19 | 119.4° | 119.9° |
| C31 | C30 | C29 | 119.8° | 120.3° |
| C31 | C30 | H24 | 120.1° | 119.9° |
| C30 | C31 | H33 | 119.9° | 119.9° |
| C10 | C9 | C13 | 117.5° | 118.3° |
| C9 | C10 | C11 | 119.5° | 118.6° |
| C9 | C10 | H8 | 120.3° | 120.7° |
| C9 | C13 | C5 | 119.6° | 117.7° |
| C9 | C13 | C12 | 117.0° | 119.0° |
| C25 | C24 | C23 | 117.4° | 119.8° |
| C25 | C24 | C27 | 122.7° | 120.2° |
| C22 | C23 | C24 | 120.8° | 119.9° |
| C23 | C22 | H19 | 119.4° | 119.9° |
| C22 | C23 | H20 | 119.6° | 120.1° |
| C13 | C5 | C4 | 125.1° | 121.3° |
| C5 | C13 | C12 | 123.4° | 123.3° |
| C5 | C4 | C3 | 121.7° | 120.2° |
| C5 | C4 | H25 | 119.1° | 119.8° |
| C23 | C24 | C27 | 119.9° | 120.1° |
| C24 | C23 | H20 | 119.6° | 120.0° |
| C24 | C27 | C28 | 120.9° | 120.1° |
| C10 | C11 | N2 | 124.1° | 121.8° |
| C10 | C11 | H2 | 118.0° | 119.1° |
| C11 | C10 | H8 | 120.3° | 120.7° |
| C4 | C3 | H1 | 119.7° | 119.8° |
| C3 | C4 | H25 | 119.2° | 120.0° |
| C27 | C28 | C29 | 120.7° | 119.9° |
| C27 | C28 | H22 | 119.7° | 120.1° |
| C13 | C12 | N2 | 124.5° | 119.8° |
| C13 | C12 | H3 | 117.8° | 120.1° |
| C30 | C29 | C28 | 120.2° | 120.1° |
| C30 | C29 | H23 | 119.9° | 119.9° |
| C29 | C30 | H24 | 120.1° | 119.9° |
| C11 | N2 | C12 | 117.4° | 122.6° |
| N2 | C11 | H2 | 117.9° | 119.1° |
| C29 | C28 | H22 | 119.7° | 120.0° |
| C28 | C29 | H23 | 119.9° | 120.0° |
| N2 | C12 | H3 | 117.7° | 120.2° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H6 | C17 | H7 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H35 | C | H36 | 109.5° | 109.4° |
| H35 | C | H37 | 109.4° | 109.5° |
| H36 | C | H37 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C15 | C14 | H11 | 120.4° | 120.0° |
| N4 | C15 | C14 | H12 | 120.4° | 120.0° |
| C15 | N4 | C16 | H28 | 120.6° | 124.0° |
| C15 | N4 | C16 | C17 | 155.2° | 180.0° |
| N4 | C15 | C14 | N3 | 156.9° | 180.0° |
| C15 | N4 | C16 | H4 | 35.1° | 60.0° |
| C15 | N4 | C16 | H5 | 84.6° | 60.0° |
| N4 | C15 | C14 | H9 | 37.2° | 60.1° |
| N4 | C15 | C14 | H10 | 83.5° | 60.0° |
| N4 | C15 | H11 | H12 | 118.9° | 120.0° |
| C14 | C15 | N4 | C16 | 119.9° | 180.0° |
| C15 | C14 | N3 | H9 | 119.7° | 120.0° |
| C15 | C14 | N3 | H10 | 119.7° | 120.0° |
| C15 | C14 | N3 | C8 | 140.2° | 180.0° |
| C15 | C14 | H9 | H10 | 121.0° | 120.1° |
| C14 | C15 | H11 | H12 | 118.9° | 120.0° |
| C15 | C14 | N3 | H27 | 97.3° | 0.0° |
| C14 | C15 | N4 | H28 | 119.5° | 56.0° |
| N4 | C16 | C17 | H4 | 120.2° | 120.0° |
| N4 | C16 | C17 | H5 | 120.1° | 120.0° |
| N4 | C16 | C17 | C18 | 165.7° | 180.0° |
| N4 | C16 | H4 | H5 | 119.5° | 120.0° |
| N4 | C16 | C17 | H6 | 73.2° | 60.0° |
| N4 | C16 | C17 | H7 | 44.5° | 60.0° |
| C16 | N4 | C15 | H11 | 119.7° | 60.0° |
| C16 | N4 | C15 | H12 | 0.4° | 60.0° |
| C16 | C17 | C18 | H6 | 121.2° | 120.0° |
| C16 | C17 | C18 | H7 | 121.2° | 120.0° |
| C16 | C17 | C18 | C19 | 166.7° | 180.0° |
| C17 | C16 | H4 | H5 | 119.6° | 120.0° |
| C16 | C17 | H6 | H7 | 116.4° | 120.0° |
| C16 | C17 | C18 | H13 | 47.0° | 60.0° |
| C16 | C17 | C18 | H14 | 73.5° | 60.0° |
| C17 | C16 | N4 | H28 | 84.2° | 56.0° |
| C17 | C18 | C19 | H13 | 119.7° | 120.0° |
| C17 | C18 | C19 | H14 | 119.7° | 120.0° |
| C17 | C18 | C19 | N5 | 167.6° | 180.0° |
| C18 | C17 | C16 | H4 | 45.5° | 60.0° |
| C18 | C17 | C16 | H5 | 74.2° | 60.0° |
| C18 | C17 | H6 | H7 | 116.4° | 120.0° |
| C17 | C18 | H13 | H14 | 120.8° | 120.0° |
| C17 | C18 | C19 | H15 | 47.0° | 60.0° |
| C17 | C18 | C19 | H16 | 71.8° | 60.0° |
| O2 | C1 | C2 | C7 | 21.2° | 0.1° |
| O2 | C1 | C2 | N | 179.1° | 179.7° |
| O2 | C1 | N | S | 24.5° | 0.3° |
| O2 | C1 | C2 | C3 | 163.7° | 179.7° |
| O2 | C1 | N | H34 | 155.5° | 179.7° |
| C18 | C19 | N5 | H15 | 120.6° | 120.0° |
| C18 | C19 | N5 | H16 | 120.6° | 120.0° |
| C18 | C19 | N5 | C20 | 178.3° | 180.0° |
| C19 | C18 | C17 | H6 | 72.1° | 60.0° |
| C19 | C18 | C17 | H7 | 45.6° | 59.9° |
| C19 | C18 | H13 | H14 | 120.8° | 120.1° |
| C18 | C19 | H15 | H16 | 118.1° | 120.1° |
| C18 | C19 | N5 | H30 | 61.4° | 56.1° |
| C14 | N3 | C8 | H27 | 122.4° | 180.0° |
| C14 | N3 | C8 | N1 | 143.8° | 0.0° |
| C14 | N3 | C8 | C9 | 32.6° | 179.1° |
| N3 | C14 | H9 | H10 | 120.9° | 120.0° |
| N3 | C14 | C15 | H11 | 82.8° | 60.0° |
| N3 | C14 | C15 | H12 | 36.5° | 60.0° |
| N3 | C8 | N1 | C9 | 176.6° | 179.1° |
| N3 | C8 | N1 | C6 | 178.1° | 180.0° |
| N3 | C8 | C9 | C10 | 4.6° | 0.9° |
| N3 | C8 | C9 | C13 | 177.0° | 179.7° |
| C8 | N3 | C14 | H9 | 20.5° | 60.0° |
| C8 | N3 | C14 | H10 | 100.1° | 60.0° |
| O1 | S | N | C1 | 59.1° | 51.1° |
| O1 | S | O | N | 123.8° | 116.7° |
| O1 | S | O | C | 124.1° | 131.5° |
| O1 | S | N | C | 116.4° | 116.1° |
| O1 | S | N | H34 | 120.9° | 128.9° |
| O1 | S | C | H35 | 180.0° | 51.6° |
| O1 | S | C | H36 | 60.0° | 171.6° |
| O1 | S | C | H37 | 60.0° | 68.4° |
| C8 | N1 | C6 | C7 | 179.8° | 179.3° |
| C8 | N1 | C6 | C5 | 1.3° | 0.6° |
| N1 | C8 | C9 | C10 | 179.2° | 180.0° |
| N1 | C8 | C9 | C13 | 0.8° | 0.6° |
| N1 | C8 | N3 | H27 | 93.7° | 180.0° |
| N1 | C6 | C7 | C5 | 178.6° | 179.9° |
| N1 | C6 | C7 | C2 | 175.9° | 180.0° |
| C6 | N1 | C8 | C9 | 1.5° | 0.9° |
| N1 | C6 | C5 | C13 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 178.6° | 179.7° |
| N1 | C6 | C7 | H26 | 4.1° | 0.1° |
| C6 | C7 | C2 | H26 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 171.3° | 180.0° |
| C6 | C7 | C2 | C3 | 4.0° | 0.2° |
| C7 | C6 | C5 | C13 | 178.9° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.3° |
| C7 | C2 | C1 | C3 | 175.1° | 179.8° |
| C7 | C2 | C1 | N | 157.9° | 179.7° |
| C2 | C7 | C6 | C5 | 2.7° | 0.1° |
| C7 | C2 | C3 | C4 | 2.6° | 0.2° |
| C7 | C2 | C3 | H1 | 177.4° | 179.8° |
| C8 | C9 | C10 | C13 | 178.4° | 179.4° |
| C8 | C9 | C13 | C5 | 0.1° | 0.0° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C8 | C9 | C13 | C12 | 179.7° | 179.9° |
| C8 | C9 | C10 | H8 | 0.4° | 0.2° |
| C9 | C8 | N3 | H27 | 89.9° | 0.9° |
| C19 | N5 | C20 | H30 | 120.3° | 124.0° |
| C19 | N5 | C20 | C21 | 175.9° | 180.0° |
| N5 | C19 | C18 | H13 | 72.7° | 60.0° |
| N5 | C19 | C18 | H14 | 47.9° | 60.0° |
| N5 | C19 | H15 | H16 | 118.1° | 120.0° |
| C19 | N5 | C20 | H17 | 63.4° | 60.0° |
| C19 | N5 | C20 | H18 | 55.1° | 60.0° |
| C2 | C1 | N | S | 156.3° | 180.0° |
| C1 | C2 | C3 | C4 | 172.5° | 180.0° |
| C1 | C2 | C3 | H1 | 7.5° | 0.0° |
| C1 | C2 | C7 | H26 | 8.7° | 0.1° |
| C2 | C1 | N | H34 | 23.7° | 0.0° |
| C1 | N | S | O | 69.9° | 178.9° |
| C1 | N | S | H34 | 180.0° | 180.0° |
| C1 | N | S | C | 175.5° | 65.0° |
| N | C1 | C2 | C3 | 17.2° | 0.0° |
| N5 | C20 | C21 | H17 | 120.7° | 120.0° |
| N5 | C20 | C21 | H18 | 120.7° | 120.0° |
| N5 | C20 | C21 | C26 | 33.4° | 90.3° |
| N5 | C20 | C21 | C22 | 148.8° | 90.0° |
| C20 | N5 | C19 | H15 | 57.7° | 60.0° |
| C20 | N5 | C19 | H16 | 61.1° | 60.0° |
| N5 | C20 | H17 | H18 | 117.7° | 120.0° |
| C6 | C5 | C13 | C9 | 0.3° | 0.3° |
| C6 | C5 | C13 | C4 | 178.9° | 179.7° |
| C6 | C5 | C4 | C3 | 1.5° | 0.3° |
| C6 | C5 | C13 | C12 | 179.4° | 179.8° |
| C6 | C5 | C4 | H25 | 178.5° | 179.8° |
| C5 | C6 | C7 | H26 | 177.3° | 180.0° |
| O | S | N | C | 114.6° | 116.1° |
| O | S | N | H34 | 110.1° | 1.1° |
| O | S | C | H35 | 50.3° | 171.6° |
| O | S | C | H36 | 69.8° | 51.7° |
| O | S | C | H37 | 170.2° | 68.3° |
| N | S | C | H35 | 62.8° | 60.0° |
| N | S | C | H36 | 177.1° | 60.0° |
| N | S | C | H37 | 57.1° | 180.0° |
| C | S | N | H34 | 4.5° | 115.0° |
| S | C | H35 | H36 | 120.0° | 120.0° |
| S | C | H35 | H37 | 120.0° | 120.1° |
| S | C | H36 | H37 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H25 | 179.8° | 180.0° |
| C3 | C2 | C7 | H26 | 176.0° | 179.7° |
| C31 | C32 | C27 | H32 | 180.0° | 179.3° |
| C32 | C31 | C30 | H33 | 180.0° | 179.3° |
| C31 | C32 | C27 | C24 | 177.9° | 179.7° |
| C31 | C32 | C27 | C28 | 0.2° | 0.6° |
| C32 | C31 | C30 | C29 | 0.9° | 0.4° |
| C32 | C31 | C30 | H24 | 179.2° | 179.7° |
| C27 | C32 | C31 | C30 | 0.7° | 0.7° |
| C32 | C27 | C24 | C25 | 67.9° | 129.6° |
| C32 | C27 | C24 | C23 | 112.2° | 50.2° |
| C32 | C27 | C24 | C28 | 178.1° | 179.7° |
| C32 | C27 | C28 | C29 | 0.1° | 0.3° |
| C32 | C27 | C28 | H22 | 179.9° | 179.8° |
| C27 | C32 | C31 | H33 | 179.3° | 180.0° |
| C20 | C21 | C26 | C22 | 177.9° | 179.8° |
| C20 | C21 | C26 | C25 | 177.3° | 179.8° |
| C20 | C21 | C22 | C23 | 177.1° | 180.0° |
| C21 | C20 | H17 | H18 | 117.7° | 120.0° |
| C20 | C21 | C22 | H19 | 2.9° | 0.0° |
| C20 | C21 | C26 | H21 | 2.7° | 0.0° |
| C21 | C20 | N5 | H30 | 55.5° | 56.0° |
| C21 | C26 | C25 | H21 | 180.0° | 179.8° |
| C21 | C26 | C25 | CL | 179.5° | 179.8° |
| C21 | C26 | C25 | C24 | 0.2° | 0.5° |
| C26 | C21 | C22 | C23 | 0.8° | 0.2° |
| C26 | C21 | C20 | H17 | 154.1° | 29.7° |
| C26 | C21 | C20 | H18 | 87.3° | 149.8° |
| C26 | C21 | C22 | H19 | 179.2° | 179.8° |
| C26 | C25 | CL | C24 | 179.7° | 179.7° |
| C25 | C26 | C21 | C22 | 0.6° | 0.5° |
| C26 | C25 | C24 | C23 | 0.7° | 0.3° |
| C26 | C25 | C24 | C27 | 179.2° | 179.8° |
| CL | C25 | C24 | C23 | 179.0° | 179.9° |
| CL | C25 | C24 | C27 | 1.2° | 0.1° |
| CL | C25 | C26 | H21 | 0.5° | 0.0° |
| C21 | C22 | C23 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C20 | H17 | 28.1° | 150.0° |
| C22 | C21 | C20 | H18 | 90.5° | 30.0° |
| C21 | C22 | C23 | H20 | 179.7° | 179.9° |
| C22 | C21 | C26 | H21 | 179.4° | 179.8° |
| C31 | C30 | C29 | H24 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.5° | 0.1° |
| C31 | C30 | C29 | H23 | 179.5° | 179.9° |
| C30 | C31 | C32 | H32 | 179.3° | 180.0° |
| C10 | C9 | C13 | C5 | 178.4° | 179.4° |
| C9 | C10 | C11 | H8 | 180.0° | 179.9° |
| C10 | C9 | C13 | C12 | 1.8° | 0.5° |
| C9 | C10 | C11 | N2 | 0.7° | 0.1° |
| C9 | C10 | C11 | H2 | 179.4° | 179.4° |
| C9 | C13 | C5 | C12 | 179.7° | 179.9° |
| C9 | C13 | C5 | C4 | 179.2° | 180.0° |
| C13 | C9 | C10 | C11 | 2.0° | 0.6° |
| C9 | C13 | C12 | N2 | 0.4° | 0.0° |
| C9 | C13 | C12 | H3 | 179.6° | 180.0° |
| C13 | C9 | C10 | H8 | 178.0° | 179.5° |
| C25 | C24 | C23 | C22 | 0.4° | 0.1° |
| C25 | C24 | C23 | C27 | 179.8° | 179.9° |
| C25 | C24 | C27 | C28 | 110.1° | 50.0° |
| C25 | C24 | C23 | H20 | 179.5° | 180.0° |
| C24 | C25 | C26 | H21 | 179.8° | 179.7° |
| C22 | C23 | C24 | H20 | 180.0° | 179.9° |
| C22 | C23 | C24 | C27 | 179.4° | 180.0° |
| C13 | C5 | C4 | C3 | 177.3° | 180.0° |
| C5 | C13 | C12 | N2 | 179.8° | 179.9° |
| C5 | C13 | C12 | H3 | 0.2° | 0.0° |
| C13 | C5 | C4 | H25 | 2.7° | 0.1° |
| C5 | C4 | C3 | H25 | 180.0° | 179.9° |
| C4 | C5 | C13 | C12 | 0.5° | 0.1° |
| C5 | C4 | C3 | H1 | 179.8° | 179.9° |
| C23 | C24 | C27 | C28 | 69.7° | 130.1° |
| C24 | C23 | C22 | H19 | 179.7° | 180.0° |
| C24 | C27 | C28 | C29 | 178.2° | 180.0° |
| C27 | C24 | C23 | H20 | 0.6° | 0.1° |
| C24 | C27 | C28 | H22 | 1.8° | 0.1° |
| C24 | C27 | C32 | H32 | 2.1° | 0.3° |
| C10 | C11 | N2 | H2 | 180.0° | 179.5° |
| C10 | C11 | N2 | C12 | 0.8° | 0.5° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C27 | C28 | C29 | H22 | 180.0° | 179.9° |
| C27 | C28 | C29 | H23 | 179.9° | 180.0° |
| C28 | C27 | C32 | H32 | 179.8° | 180.0° |
| C13 | C12 | N2 | C11 | 0.9° | 0.5° |
| C13 | C12 | N2 | H3 | 180.0° | 180.0° |
| C30 | C29 | C28 | H23 | 180.0° | 179.9° |
| C30 | C29 | C28 | H22 | 179.9° | 180.0° |
| C29 | C30 | C31 | H33 | 179.1° | 179.7° |
| C11 | N2 | C12 | H3 | 179.1° | 179.4° |
| N2 | C11 | C10 | H8 | 179.3° | 180.0° |
| C28 | C29 | C30 | H24 | 179.5° | 180.0° |
| C12 | N2 | C11 | H2 | 179.2° | 180.0° |
| H1 | C3 | C4 | H25 | 0.2° | 0.0° |
| H2 | C11 | C10 | H8 | 0.7° | 0.5° |
| H4 | C16 | C17 | H6 | 166.7° | 60.0° |
| H4 | C16 | C17 | H7 | 75.6° | 180.0° |
| H4 | C16 | N4 | H28 | 155.7° | 64.0° |
| H5 | C16 | C17 | H6 | 47.0° | 180.0° |
| H5 | C16 | C17 | H7 | 164.7° | 60.1° |
| H5 | C16 | N4 | H28 | 36.0° | 176.0° |
| H6 | C17 | C18 | H13 | 168.2° | 180.0° |
| H6 | C17 | C18 | H14 | 47.6° | 60.0° |
| H7 | C17 | C18 | H13 | 74.1° | 60.0° |
| H7 | C17 | C18 | H14 | 165.3° | 180.0° |
| H9 | C14 | C15 | H11 | 157.5° | 59.9° |
| H9 | C14 | C15 | H12 | 83.2° | 179.9° |
| H9 | C14 | N3 | H27 | 143.0° | 119.9° |
| H10 | C14 | C15 | H11 | 36.9° | 180.0° |
| H10 | C14 | C15 | H12 | 156.2° | 60.0° |
| H10 | C14 | N3 | H27 | 22.4° | 120.0° |
| H11 | C15 | N4 | H28 | 0.9° | 176.0° |
| H12 | C15 | N4 | H28 | 120.1° | 64.0° |
| H13 | C18 | C19 | H15 | 166.7° | NaN° |
| H13 | C18 | C19 | H16 | 47.9° | 60.0° |
| H14 | C18 | C19 | H15 | 72.7° | 60.0° |
| H14 | C18 | C19 | H16 | 168.4° | 180.0° |
| H15 | C19 | N5 | H30 | 178.0° | 176.0° |
| H16 | C19 | N5 | H30 | 59.2° | 64.0° |
| H17 | C20 | N5 | H30 | 176.2° | 64.0° |
| H18 | C20 | N5 | H30 | 65.2° | 176.0° |
| H19 | C22 | C23 | H20 | 0.3° | 0.0° |
| H22 | C28 | C29 | H23 | 0.1° | 0.1° |
| H23 | C29 | C30 | H24 | 0.5° | 0.1° |
| H24 | C30 | C31 | H33 | 0.9° | 0.4° |
| H32 | C32 | C31 | H33 | 0.7° | 0.7° |
| H35 | C | H36 | H37 | 120.0° | 120.0° |
