A1ANJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N | sing | 1.35Å | 1.36Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.47Å | |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | N2 | sing | 1.38Å | 1.36Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | S | sing | 1.77Å | 1.69Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| C21 | S | sing | 1.82Å | 1.76Å | |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| C23 | C22 | sing | 1.52Å | 1.51Å | |
| C18 | C23 | sing | 1.50Å | 1.51Å | |
| C24 | C14 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| N3 | C13 | sing | 1.33Å | 1.35Å | Aromatic |
| C27 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C28 | sing | 1.41Å | 1.40Å | Aromatic |
| N5 | C28 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | N5 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | N1 | sing | 1.47Å | 1.48Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| N | C31 | sing | 1.47Å | 1.47Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| N5 | H1 | sing | 0.97Å | 1.00Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 121.2° | 120.0° |
| C | C1 | N | 117.8° | 120.0° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| O | C1 | N | 121.0° | 120.0° |
| C1 | N | C2 | 124.2° | 120.9° |
| C1 | N | C31 | 121.7° | 120.9° |
| N | C2 | C3 | 110.4° | 108.5° |
| C2 | N | C31 | 114.0° | 118.3° |
| N | C2 | H6 | 109.2° | 109.7° |
| N | C2 | H5 | 109.3° | 109.8° |
| C2 | C3 | N1 | 110.8° | 109.4° |
| C2 | C3 | H8 | 109.1° | 109.5° |
| C2 | C3 | H7 | 109.2° | 109.5° |
| C3 | C2 | H6 | 109.3° | 109.6° |
| C3 | C2 | H5 | 109.2° | 109.6° |
| C3 | N1 | C4 | 111.5° | 111.0° |
| C3 | N1 | C30 | 109.2° | 111.3° |
| N1 | C3 | H8 | 109.1° | 109.5° |
| N1 | C3 | H7 | 109.2° | 109.5° |
| N1 | C4 | C5 | 115.6° | 109.5° |
| C4 | N1 | C30 | 109.7° | 111.0° |
| N1 | C4 | H9 | 107.9° | 109.5° |
| N1 | C4 | H10 | 107.9° | 109.4° |
| C4 | C5 | C6 | 119.9° | 119.9° |
| C4 | C5 | C29 | 120.4° | 120.0° |
| C5 | C4 | H9 | 107.9° | 109.5° |
| C5 | C4 | H10 | 107.9° | 109.5° |
| C5 | C6 | C7 | 120.8° | 120.3° |
| C6 | C5 | C29 | 118.9° | 120.1° |
| C5 | C6 | H11 | 119.6° | 119.8° |
| C6 | C7 | C8 | 120.1° | 120.2° |
| C7 | C6 | H11 | 119.6° | 119.9° |
| C6 | C7 | H12 | 120.0° | 119.9° |
| C7 | C8 | C9 | 120.3° | 119.8° |
| C8 | C7 | H12 | 120.0° | 119.9° |
| C7 | C8 | H13 | 119.8° | 120.1° |
| C8 | C9 | C10 | 120.4° | 120.1° |
| C8 | C9 | C29 | 119.2° | 119.7° |
| C9 | C8 | H13 | 119.9° | 120.1° |
| C9 | C10 | C11 | 129.4° | 125.3° |
| C9 | C10 | N5 | 121.8° | 125.3° |
| C10 | C9 | C29 | 120.5° | 120.1° |
| C10 | C11 | C12 | 107.3° | 106.8° |
| C11 | C10 | N5 | 108.8° | 109.4° |
| C10 | C11 | H14 | 126.3° | 126.6° |
| C11 | C12 | C13 | 137.3° | 135.0° |
| C11 | C12 | C28 | 107.0° | 106.5° |
| C12 | C11 | H14 | 126.4° | 126.6° |
| C12 | C13 | N2 | 120.9° | 120.8° |
| C12 | C13 | N3 | 119.8° | 118.3° |
| C13 | C12 | C28 | 115.6° | 118.6° |
| C13 | N2 | C14 | 126.4° | 120.0° |
| N2 | C13 | N3 | 119.3° | 120.8° |
| C13 | N2 | H15 | 105.1° | 120.0° |
| N2 | C14 | C15 | 113.2° | 109.5° |
| N2 | C14 | C24 | 110.2° | 109.5° |
| N2 | C14 | H | 107.5° | 109.5° |
| C14 | N2 | H15 | 105.1° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.3° |
| C14 | C15 | C20 | 121.1° | 120.3° |
| C15 | C14 | C24 | 112.1° | 109.5° |
| C15 | C14 | H | 106.8° | 109.5° |
| C15 | C16 | C17 | 121.1° | 119.9° |
| C16 | C15 | C20 | 118.0° | 119.4° |
| C15 | C16 | H16 | 119.4° | 120.0° |
| C16 | C17 | C18 | 122.1° | 121.0° |
| C16 | C17 | H17 | 119.0° | 119.5° |
| C17 | C16 | H16 | 119.5° | 120.0° |
| C17 | C18 | C19 | 116.5° | 118.8° |
| C17 | C18 | C23 | 119.3° | 116.5° |
| C18 | C17 | H17 | 119.0° | 119.5° |
| C18 | C19 | C20 | 121.6° | 120.3° |
| C18 | C19 | S | 123.3° | 121.9° |
| C19 | C18 | C23 | 124.2° | 124.7° |
| C19 | C20 | C15 | 120.7° | 120.6° |
| C20 | C19 | S | 115.1° | 117.9° |
| C19 | C20 | H18 | 119.7° | 119.7° |
| C15 | C20 | H18 | 119.6° | 119.7° |
| C19 | S | O1 | 108.5° | 104.4° |
| C19 | S | O2 | 108.0° | 104.4° |
| C19 | S | C21 | 103.8° | 103.7° |
| O1 | S | O2 | 117.4° | 121.3° |
| O1 | S | C21 | 109.2° | 110.6° |
| O2 | S | C21 | 109.1° | 110.6° |
| S | C21 | C22 | 111.3° | 107.1° |
| S | C21 | H20 | 109.0° | 110.0° |
| S | C21 | H19 | 109.0° | 109.9° |
| C21 | C22 | C23 | 109.9° | 109.1° |
| C22 | C21 | H20 | 109.0° | 109.9° |
| C22 | C21 | H19 | 109.0° | 110.0° |
| C21 | C22 | H21 | 109.4° | 109.5° |
| C21 | C22 | H22 | 109.4° | 109.5° |
| C22 | C23 | C18 | 112.7° | 113.8° |
| C23 | C22 | H21 | 109.4° | 109.5° |
| C23 | C22 | H22 | 109.3° | 109.6° |
| C22 | C23 | H23 | 108.7° | 108.6° |
| C22 | C23 | H24 | 108.7° | 108.6° |
| C18 | C23 | H23 | 108.7° | 108.6° |
| C18 | C23 | H24 | 108.7° | 108.5° |
| C14 | C24 | C25 | 111.8° | 109.5° |
| C14 | C24 | C26 | 111.7° | 109.5° |
| C14 | C24 | H25 | 107.6° | 109.5° |
| C24 | C14 | H | 106.5° | 109.5° |
| C25 | C24 | C26 | 110.0° | 109.5° |
| C25 | C24 | H25 | 107.8° | 109.4° |
| C24 | C25 | H26 | 109.5° | 109.4° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.5° | 109.4° |
| C26 | C24 | H25 | 107.8° | 109.5° |
| C24 | C26 | H29 | 109.5° | 109.5° |
| C24 | C26 | H31 | 109.4° | 109.5° |
| C24 | C26 | H30 | 109.5° | 109.5° |
| C13 | N3 | C27 | 117.5° | 121.0° |
| N3 | C27 | N4 | 128.8° | 122.8° |
| N3 | C27 | H32 | 115.6° | 118.6° |
| C27 | N4 | C28 | 112.5° | 120.7° |
| N4 | C27 | H32 | 115.5° | 118.6° |
| N4 | C28 | C12 | 125.7° | 118.6° |
| N4 | C28 | N5 | 126.3° | 134.0° |
| C12 | C28 | N5 | 108.0° | 107.4° |
| C28 | N5 | C10 | 109.0° | 109.9° |
| C28 | N5 | H1 | 125.5° | 125.0° |
| C10 | N5 | H1 | 125.5° | 125.0° |
| C9 | C29 | C5 | 120.8° | 119.9° |
| C9 | C29 | H33 | 119.6° | 120.1° |
| C5 | C29 | H33 | 119.6° | 120.1° |
| N1 | C30 | C31 | 110.6° | 109.4° |
| N1 | C30 | H35 | 109.2° | 109.5° |
| N1 | C30 | H34 | 109.2° | 109.5° |
| C30 | C31 | N | 110.1° | 108.5° |
| C31 | C30 | H35 | 109.2° | 109.5° |
| C31 | C30 | H34 | 109.2° | 109.5° |
| C30 | C31 | H37 | 109.3° | 109.5° |
| C30 | C31 | H36 | 109.3° | 109.6° |
| N | C31 | H37 | 109.3° | 109.7° |
| N | C31 | H36 | 109.3° | 109.8° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H20 | C21 | H19 | 109.5° | 110.0° |
| H21 | C22 | H22 | 109.5° | 109.6° |
| H29 | C26 | H31 | 109.5° | 109.4° |
| H29 | C26 | H30 | 109.4° | 109.5° |
| H31 | C26 | H30 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 108.6° |
| H26 | C25 | H27 | 109.4° | 109.5° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H8 | C3 | H7 | 109.5° | 109.4° |
| H6 | C2 | H5 | 109.5° | 109.7° |
| H35 | C30 | H34 | 109.5° | 109.5° |
| H37 | C31 | H36 | 109.5° | 109.6° |
| H4 | C | H2 | 109.5° | 109.5° |
| H4 | C | H3 | 109.4° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 178.8° | 179.9° |
| C | C1 | N | C2 | 109.0° | 180.0° |
| C | C1 | N | C31 | 68.5° | 0.0° |
| C1 | C | H4 | H2 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| O | C1 | N | C2 | 72.1° | 0.1° |
| O | C1 | N | C31 | 110.4° | 180.0° |
| O | C1 | C | H4 | 0.0° | 90.0° |
| O | C1 | C | H2 | 120.0° | 30.1° |
| O | C1 | C | H3 | 120.0° | 150.1° |
| C1 | N | C2 | C31 | 177.7° | 180.0° |
| C1 | N | C2 | C3 | 130.1° | 128.8° |
| C1 | N | C31 | C30 | 128.9° | 128.9° |
| C1 | N | C2 | H6 | 109.8° | 9.2° |
| C1 | N | C2 | H5 | 10.0° | 111.4° |
| C1 | N | C31 | H37 | 110.9° | 111.5° |
| C1 | N | C31 | H36 | 8.9° | 9.0° |
| N | C1 | C | H4 | 178.8° | 89.9° |
| N | C1 | C | H2 | 61.2° | 150.0° |
| N | C1 | C | H3 | 58.9° | 30.0° |
| N | C2 | C3 | H6 | 120.1° | 119.7° |
| N | C2 | C3 | H5 | 120.2° | 119.9° |
| N | C2 | C3 | N1 | 54.8° | 53.8° |
| C2 | N | C31 | C30 | 53.3° | 51.2° |
| N | C2 | C3 | H8 | 175.0° | 66.2° |
| N | C2 | C3 | H7 | 65.4° | 173.8° |
| N | C2 | H6 | H5 | 119.6° | 120.7° |
| C2 | N | C31 | H37 | 66.8° | 68.5° |
| C2 | N | C31 | H36 | 173.4° | 171.0° |
| C2 | C3 | N1 | H8 | 120.2° | 120.0° |
| C2 | C3 | N1 | H7 | 120.2° | 120.0° |
| C2 | C3 | N1 | C4 | 178.9° | 172.7° |
| C2 | C3 | N1 | C30 | 59.6° | 63.1° |
| C3 | C2 | N | C31 | 52.3° | 51.2° |
| C2 | C3 | H8 | H7 | 119.4° | 120.1° |
| C3 | C2 | H6 | H5 | 119.6° | 120.4° |
| C3 | N1 | C4 | C30 | 121.1° | 124.4° |
| C3 | N1 | C4 | C5 | 50.7° | 170.0° |
| C3 | N1 | C30 | C31 | 60.8° | 63.0° |
| C3 | N1 | C4 | H9 | 70.2° | 50.0° |
| C3 | N1 | C4 | H10 | 171.6° | 70.0° |
| N1 | C3 | H8 | H7 | 119.4° | 120.0° |
| N1 | C3 | C2 | H6 | 65.3° | 173.5° |
| N1 | C3 | C2 | H5 | 175.0° | 66.1° |
| C3 | N1 | C30 | H35 | 179.0° | 177.0° |
| C3 | N1 | C30 | H34 | 59.3° | 56.9° |
| N1 | C4 | C5 | H9 | 120.9° | 120.1° |
| N1 | C4 | C5 | H10 | 120.9° | 119.9° |
| N1 | C4 | C5 | C6 | 117.0° | 90.1° |
| N1 | C4 | C5 | C29 | 73.3° | 90.2° |
| C4 | N1 | C30 | C31 | 176.7° | 172.8° |
| N1 | C4 | H9 | H10 | 117.2° | 120.0° |
| C4 | N1 | C3 | H8 | 58.7° | 67.3° |
| C4 | N1 | C3 | H7 | 60.9° | 52.7° |
| C4 | N1 | C30 | H35 | 56.5° | 52.7° |
| C4 | N1 | C30 | H34 | 63.2° | 67.3° |
| C4 | C5 | C6 | C29 | 169.8° | 179.7° |
| C4 | C5 | C6 | C7 | 167.9° | 180.0° |
| C4 | C5 | C29 | C9 | 168.1° | 179.7° |
| C5 | C4 | N1 | C30 | 171.8° | 65.6° |
| C5 | C4 | H9 | H10 | 117.2° | 120.0° |
| C4 | C5 | C6 | H11 | 12.1° | 0.1° |
| C4 | C5 | C29 | H33 | 11.9° | 0.0° |
| C5 | C6 | C7 | H11 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.8° | 0.0° |
| C6 | C5 | C29 | C9 | 1.7° | 0.6° |
| C6 | C5 | C4 | H9 | 3.9° | 30.0° |
| C6 | C5 | C4 | H10 | 122.1° | 150.0° |
| C5 | C6 | C7 | H12 | 179.2° | 180.0° |
| C6 | C5 | C29 | H33 | 178.3° | 179.7° |
| C6 | C7 | C8 | H12 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.7° | 0.0° |
| C7 | C6 | C5 | C29 | 1.9° | 0.3° |
| C6 | C7 | C8 | H13 | 179.3° | 180.0° |
| C7 | C8 | C9 | H13 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C7 | C8 | C9 | C29 | 0.8° | 0.2° |
| C8 | C7 | C6 | H11 | 179.2° | 179.9° |
| C8 | C9 | C10 | C29 | 179.2° | 179.7° |
| C8 | C9 | C10 | C11 | 16.9° | 0.1° |
| C8 | C9 | C10 | N5 | 164.0° | 180.0° |
| C8 | C9 | C29 | C5 | 0.4° | 0.6° |
| C9 | C8 | C7 | H12 | 179.4° | 180.0° |
| C8 | C9 | C29 | H33 | 179.6° | 179.8° |
| C9 | C10 | C11 | N5 | 179.2° | 179.9° |
| C9 | C10 | C11 | C12 | 178.9° | 180.0° |
| C9 | C10 | N5 | C28 | 179.3° | 179.9° |
| C10 | C9 | C29 | C5 | 178.8° | 179.7° |
| C10 | C9 | C8 | H13 | 0.1° | 0.0° |
| C9 | C10 | C11 | H14 | 1.1° | 0.1° |
| C9 | C10 | N5 | H1 | 0.7° | 0.1° |
| C10 | C9 | C29 | H33 | 1.1° | 0.0° |
| C10 | C11 | C12 | H14 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 177.1° | 180.0° |
| C10 | C11 | C12 | C28 | 0.5° | 0.0° |
| C11 | C10 | N5 | C28 | 0.0° | 0.0° |
| C11 | C10 | C9 | C29 | 163.9° | 179.7° |
| C11 | C10 | N5 | H1 | 180.0° | 180.0° |
| C11 | C12 | C13 | C28 | 177.4° | 180.0° |
| C11 | C12 | C13 | N2 | 0.3° | 0.1° |
| C11 | C12 | C13 | N3 | 177.7° | 180.0° |
| C11 | C12 | C28 | N4 | 179.0° | 180.0° |
| C11 | C12 | C28 | N5 | 0.5° | 0.0° |
| C12 | C11 | C10 | N5 | 0.3° | 0.0° |
| C12 | C13 | N2 | N3 | 177.4° | 179.9° |
| C12 | C13 | N2 | C14 | 167.2° | 180.0° |
| C12 | C13 | N3 | C27 | 0.2° | 0.0° |
| C13 | C12 | C28 | N4 | 0.8° | 0.0° |
| C13 | C12 | C28 | N5 | 177.6° | 180.0° |
| C12 | C13 | N2 | H15 | 70.6° | 0.0° |
| C13 | C12 | C11 | H14 | 3.0° | 0.0° |
| C13 | N2 | C14 | H15 | 122.2° | 180.0° |
| C13 | N2 | C14 | C15 | 95.1° | 155.0° |
| C13 | N2 | C14 | C24 | 138.4° | 85.0° |
| N2 | C13 | N3 | C27 | 177.3° | 180.0° |
| N2 | C13 | C12 | C28 | 177.1° | 179.9° |
| C13 | N2 | C14 | H | 22.7° | 35.1° |
| N2 | C14 | C15 | C24 | 125.4° | 120.0° |
| N2 | C14 | C15 | H | 118.2° | 120.0° |
| N2 | C14 | C15 | C16 | 126.2° | 40.1° |
| N2 | C14 | C15 | C20 | 50.5° | 140.3° |
| N2 | C14 | C24 | H | 116.4° | 120.0° |
| N2 | C14 | C24 | C25 | 177.2° | 60.0° |
| N2 | C14 | C24 | C26 | 59.1° | 60.0° |
| C14 | N2 | C13 | N3 | 15.4° | 0.1° |
| N2 | C14 | C24 | H25 | 59.0° | 179.9° |
| C14 | C15 | C16 | C20 | 176.9° | 179.7° |
| C14 | C15 | C16 | C17 | 175.7° | 179.3° |
| C14 | C15 | C20 | C19 | 176.4° | 179.7° |
| C15 | C14 | C24 | H | 116.5° | 120.0° |
| C15 | C14 | C24 | C25 | 50.1° | 180.0° |
| C15 | C14 | C24 | C26 | 173.8° | 60.0° |
| C14 | C15 | C20 | H18 | 3.6° | 0.3° |
| C15 | C14 | C24 | H25 | 68.1° | 60.0° |
| C14 | C15 | C16 | H16 | 4.3° | 0.8° |
| C15 | C14 | N2 | H15 | 142.6° | 25.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.2° | 0.0° |
| C16 | C15 | C20 | C19 | 0.5° | 0.1° |
| C16 | C15 | C14 | C24 | 108.3° | 79.9° |
| C15 | C16 | C17 | H17 | 178.8° | 179.9° |
| C16 | C15 | C20 | H18 | 179.5° | 180.0° |
| C16 | C15 | C14 | H | 8.0° | 160.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.6° | 0.8° |
| C17 | C16 | C15 | C20 | 1.2° | 0.3° |
| C16 | C17 | C18 | C23 | 179.0° | 178.1° |
| C17 | C18 | C19 | C23 | 179.5° | 178.9° |
| C17 | C18 | C19 | C20 | 0.1° | 1.2° |
| C17 | C18 | C19 | S | 179.6° | 178.0° |
| C17 | C18 | C23 | C22 | 157.2° | 155.7° |
| C17 | C18 | C23 | H23 | 82.3° | 34.6° |
| C17 | C18 | C23 | H24 | 36.7° | 83.3° |
| C18 | C17 | C16 | H16 | 178.7° | 179.9° |
| C18 | C19 | C20 | S | 179.5° | 179.2° |
| C18 | C19 | C20 | C15 | 0.2° | 0.9° |
| C18 | C19 | S | O1 | 125.8° | 102.9° |
| C18 | C19 | S | O2 | 105.9° | 128.9° |
| C18 | C19 | S | C21 | 9.8° | 13.0° |
| C19 | C18 | C23 | C22 | 23.3° | 25.4° |
| C19 | C18 | C17 | H17 | 179.4° | 179.1° |
| C18 | C19 | C20 | H18 | 179.8° | 179.2° |
| C19 | C18 | C23 | H23 | 97.2° | 146.5° |
| C19 | C18 | C23 | H24 | 143.7° | 95.6° |
| C19 | C20 | C15 | H18 | 180.0° | 179.9° |
| C20 | C19 | S | O1 | 54.7° | 76.3° |
| C20 | C19 | S | O2 | 73.6° | 51.9° |
| C20 | C19 | S | C21 | 170.7° | 167.8° |
| C20 | C19 | C18 | C23 | 179.7° | 177.6° |
| C15 | C20 | C19 | S | 179.7° | 178.4° |
| C20 | C15 | C14 | C24 | 74.9° | 99.7° |
| C20 | C15 | C16 | H16 | 178.8° | 179.6° |
| C20 | C15 | C14 | H | 168.7° | 20.3° |
| C19 | S | O1 | O2 | 122.7° | 117.1° |
| C19 | S | O1 | C21 | 112.5° | 110.9° |
| C19 | S | O2 | C21 | 112.2° | 110.9° |
| C19 | S | C21 | C22 | 42.0° | 44.9° |
| S | C19 | C18 | C23 | 0.9° | 3.2° |
| S | C19 | C20 | H18 | 0.3° | 1.6° |
| C19 | S | C21 | H20 | 78.2° | 74.4° |
| C19 | S | C21 | H19 | 162.3° | 164.3° |
| O1 | S | O2 | C21 | 124.8° | 132.0° |
| O1 | S | C21 | C22 | 157.6° | 66.4° |
| O1 | S | C21 | H20 | 37.3° | 174.2° |
| O1 | S | C21 | H19 | 82.2° | 53.0° |
| O2 | S | C21 | C22 | 72.9° | 156.3° |
| O2 | S | C21 | H20 | 166.8° | 37.0° |
| O2 | S | C21 | H19 | 47.3° | 84.3° |
| S | C21 | C22 | H20 | 120.3° | 119.4° |
| S | C21 | C22 | H19 | 120.3° | 119.4° |
| S | C21 | C22 | C23 | 68.5° | 71.3° |
| S | C21 | H20 | H19 | 119.2° | 121.2° |
| S | C21 | C22 | H21 | 171.4° | 48.6° |
| S | C21 | C22 | H22 | 51.6° | 168.7° |
| C21 | C22 | C23 | H21 | 120.1° | 119.8° |
| C21 | C22 | C23 | H22 | 120.1° | 119.9° |
| C21 | C22 | C23 | C18 | 57.2° | 61.7° |
| C22 | C21 | H20 | H19 | 119.2° | 121.2° |
| C21 | C22 | H21 | H22 | 119.8° | 120.1° |
| C21 | C22 | C23 | H23 | 63.3° | 177.2° |
| C21 | C22 | C23 | H24 | 177.7° | 59.2° |
| C22 | C23 | C18 | H23 | 120.5° | 121.1° |
| C22 | C23 | C18 | H24 | 120.5° | 121.0° |
| C23 | C22 | C21 | H20 | 51.8° | 48.1° |
| C23 | C22 | C21 | H19 | 171.2° | 169.3° |
| C23 | C22 | H21 | H22 | 119.8° | 120.3° |
| C22 | C23 | H23 | H24 | 118.5° | 117.9° |
| C23 | C18 | C17 | H17 | 1.0° | 2.0° |
| C18 | C23 | C22 | H21 | 177.3° | 58.1° |
| C18 | C23 | C22 | H22 | 62.8° | 178.4° |
| C18 | C23 | H23 | H24 | 118.6° | 117.9° |
| C14 | C24 | C25 | C26 | 124.7° | 120.0° |
| C14 | C24 | C25 | H25 | 118.0° | 120.0° |
| C14 | C24 | C26 | H25 | 118.0° | 120.0° |
| C14 | C24 | C26 | H29 | 180.0° | 60.0° |
| C14 | C24 | C26 | H31 | 60.0° | 180.0° |
| C14 | C24 | C26 | H30 | 60.0° | 60.0° |
| C14 | C24 | C25 | H26 | 180.0° | 180.0° |
| C14 | C24 | C25 | H27 | 60.0° | 60.0° |
| C14 | C24 | C25 | H28 | 60.0° | 60.0° |
| C24 | C14 | N2 | H15 | 16.2° | 95.0° |
| C25 | C24 | C26 | H25 | 117.3° | 119.9° |
| C25 | C24 | C26 | H29 | 55.3° | 180.0° |
| C25 | C24 | C26 | H31 | 64.8° | 60.0° |
| C25 | C24 | C26 | H30 | 175.2° | 60.0° |
| C25 | C24 | C14 | H | 66.5° | 60.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.1° |
| C24 | C25 | H26 | H28 | 120.0° | 119.9° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C24 | C26 | H29 | H31 | 120.0° | 120.0° |
| C24 | C26 | H29 | H30 | 120.0° | 120.0° |
| C24 | C26 | H31 | H30 | 120.0° | 120.0° |
| C26 | C24 | C14 | H | 57.3° | 180.0° |
| C26 | C24 | C25 | H26 | 55.4° | 59.9° |
| C26 | C24 | C25 | H27 | 175.3° | 180.0° |
| C26 | C24 | C25 | H28 | 64.6° | 60.0° |
| C13 | N3 | C27 | N4 | 0.5° | 0.1° |
| N3 | C13 | C12 | C28 | 0.3° | 0.0° |
| N3 | C13 | N2 | H15 | 106.8° | 180.0° |
| C13 | N3 | C27 | H32 | 179.5° | 180.0° |
| N3 | C27 | N4 | H32 | 180.0° | 179.9° |
| N3 | C27 | N4 | C28 | 0.9° | 0.0° |
| C27 | N4 | C28 | C12 | 1.0° | 0.0° |
| C27 | N4 | C28 | N5 | 177.2° | 179.9° |
| N4 | C28 | C12 | N5 | 178.5° | 179.9° |
| N4 | C28 | N5 | C10 | 178.8° | 179.9° |
| C28 | N4 | C27 | H32 | 179.1° | 180.0° |
| N4 | C28 | N5 | H1 | 1.2° | 0.1° |
| C12 | C28 | N5 | C10 | 0.3° | 0.0° |
| C28 | C12 | C11 | H14 | 179.5° | 180.0° |
| C12 | C28 | N5 | H1 | 179.7° | 180.0° |
| C28 | N5 | C10 | H1 | 180.0° | 180.0° |
| N5 | C10 | C9 | C29 | 15.2° | 0.3° |
| N5 | C10 | C11 | H14 | 179.7° | 180.0° |
| C9 | C29 | C5 | H33 | 180.0° | 179.7° |
| C29 | C9 | C8 | H13 | 179.1° | 179.7° |
| C29 | C5 | C4 | H9 | 165.8° | 149.7° |
| C29 | C5 | C4 | H10 | 47.6° | 29.7° |
| C29 | C5 | C6 | H11 | 178.0° | 179.8° |
| N1 | C30 | C31 | H35 | 120.1° | 120.0° |
| N1 | C30 | C31 | H34 | 120.1° | 119.9° |
| N1 | C30 | C31 | N | 57.0° | 53.8° |
| C30 | N1 | C4 | H9 | 50.9° | 174.3° |
| C30 | N1 | C4 | H10 | 67.3° | 54.3° |
| C30 | N1 | C3 | H8 | 179.8° | 56.9° |
| C30 | N1 | C3 | H7 | 60.6° | 176.9° |
| N1 | C30 | H35 | H34 | 119.5° | 120.0° |
| N1 | C30 | C31 | H37 | 63.1° | 65.9° |
| N1 | C30 | C31 | H36 | 177.1° | 173.7° |
| C30 | C31 | N | H37 | 120.1° | 119.6° |
| C30 | C31 | N | H36 | 120.1° | 119.8° |
| C31 | C30 | H35 | H34 | 119.5° | 120.0° |
| C30 | C31 | H37 | H36 | 119.7° | 120.3° |
| C31 | N | C2 | H6 | 67.9° | 170.9° |
| C31 | N | C2 | H5 | 172.4° | 68.6° |
| N | C31 | C30 | H35 | 177.2° | 173.8° |
| N | C31 | C30 | H34 | 63.1° | 66.2° |
| N | C31 | H37 | H36 | 119.7° | 120.7° |
| H11 | C6 | C7 | H12 | 0.8° | 0.1° |
| H12 | C7 | C8 | H13 | 0.7° | 0.0° |
| H17 | C17 | C16 | H16 | 1.3° | 0.0° |
| H20 | C21 | C22 | H21 | 68.3° | 168.0° |
| H20 | C21 | C22 | H22 | 171.8° | 71.9° |
| H19 | C21 | C22 | H21 | 51.1° | 70.8° |
| H19 | C21 | C22 | H22 | 68.7° | 49.3° |
| H21 | C22 | C23 | H23 | 56.8° | 63.0° |
| H21 | C22 | C23 | H24 | 62.2° | 179.1° |
| H22 | C22 | C23 | H23 | 176.7° | 57.3° |
| H22 | C22 | C23 | H24 | 57.6° | 60.7° |
| H25 | C24 | C26 | H29 | 62.0° | 60.0° |
| H25 | C24 | C26 | H31 | 177.9° | 60.0° |
| H25 | C24 | C26 | H30 | 57.9° | 180.0° |
| H25 | C24 | C14 | H | 175.4° | 59.9° |
| H25 | C24 | C25 | H26 | 62.0° | 60.1° |
| H25 | C24 | C25 | H27 | 58.0° | 60.0° |
| H25 | C24 | C25 | H28 | 178.0° | 180.0° |
| H29 | C26 | H31 | H30 | 120.0° | 120.0° |
| H | C14 | N2 | H15 | 99.6° | 145.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H8 | C3 | C2 | H6 | 54.9° | 53.5° |
| H8 | C3 | C2 | H5 | 64.9° | 173.9° |
| H7 | C3 | C2 | H6 | 174.5° | 66.5° |
| H7 | C3 | C2 | H5 | 54.8° | 53.9° |
| H35 | C30 | C31 | H37 | 57.1° | 54.1° |
| H35 | C30 | C31 | H36 | 62.8° | 66.2° |
| H34 | C30 | C31 | H37 | 176.8° | 174.1° |
| H34 | C30 | C31 | H36 | 57.0° | 53.8° |
| H4 | C | H2 | H3 | 120.0° | 120.0° |
