A1IJR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | O5 | sing | 1.36Å | 1.35Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.46Å | |
| C27 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.48Å | 1.47Å | |
| C32 | O7 | sing | 1.36Å | 1.36Å | |
| C16 | N4 | doub | 1.30Å | 1.30Å | Aromatic |
| C16 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C26 | S2 | sing | 1.76Å | 1.73Å | Aromatic |
| C26 | N6 | doub | 1.30Å | 1.31Å | Aromatic |
| S2 | C25 | sing | 1.71Å | 1.72Å | Aromatic |
| N6 | C24 | sing | 1.33Å | 1.39Å | Aromatic |
| N4 | C14 | sing | 1.33Å | 1.38Å | Aromatic |
| S1 | C15 | sing | 1.71Å | 1.72Å | Aromatic |
| C25 | C24 | doub | 1.35Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.49Å | |
| O6 | C23 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | doub | 1.35Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.47Å | 1.48Å | |
| C23 | N5 | sing | 1.35Å | 1.35Å | |
| O4 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | N3 | sing | 1.35Å | 1.34Å | |
| N5 | C8 | sing | 1.46Å | 1.47Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| O2 | C4 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | doub | 1.31Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | O1 | sing | 1.43Å | 1.42Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 1.01Å | 1.00Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C31 | H34 | sing | 1.08Å | 1.08Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| O5 | H36 | sing | 0.97Å | 0.95Å | |
| O7 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 120.4° | 120.3° |
| C20 | C19 | C18 | 119.9° | 120.3° |
| C20 | C19 | H25 | 120.1° | 119.9° |
| C19 | C20 | H28 | 119.8° | 119.9° |
| C20 | C21 | C22 | 120.3° | 120.1° |
| C21 | C20 | H28 | 119.8° | 119.8° |
| C20 | C21 | H29 | 119.8° | 119.9° |
| C19 | C18 | C17 | 120.8° | 119.9° |
| C19 | C18 | H24 | 119.6° | 120.0° |
| C18 | C19 | H25 | 120.1° | 119.9° |
| C21 | C22 | C17 | 120.0° | 119.8° |
| C21 | C22 | O5 | 117.4° | 120.1° |
| C22 | C21 | H29 | 119.9° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.3° |
| C29 | C30 | C31 | 119.8° | 120.4° |
| C30 | C29 | H32 | 119.9° | 119.9° |
| C29 | C30 | H33 | 120.1° | 119.8° |
| C29 | C28 | C27 | 121.4° | 119.9° |
| C29 | C28 | H31 | 119.3° | 120.1° |
| C28 | C29 | H32 | 119.9° | 119.8° |
| C30 | C31 | C32 | 120.8° | 120.0° |
| C31 | C30 | H33 | 120.1° | 119.8° |
| C30 | C31 | H34 | 119.6° | 120.0° |
| C18 | C17 | C22 | 118.6° | 119.6° |
| C18 | C17 | C16 | 120.6° | 120.2° |
| C17 | C18 | H24 | 119.6° | 120.0° |
| C17 | C22 | O5 | 122.6° | 120.1° |
| C22 | C17 | C16 | 120.7° | 120.2° |
| C22 | O5 | H36 | 109.5° | 113.9° |
| C28 | C27 | C32 | 117.5° | 119.7° |
| C28 | C27 | C26 | 118.0° | 120.2° |
| C27 | C28 | H31 | 119.3° | 120.0° |
| C31 | C32 | C27 | 120.3° | 119.7° |
| C31 | C32 | O7 | 115.9° | 120.1° |
| C32 | C31 | H34 | 119.6° | 120.0° |
| C17 | C16 | N4 | 122.6° | 125.3° |
| C17 | C16 | S1 | 123.1° | 125.3° |
| C32 | C27 | C26 | 124.5° | 120.1° |
| C27 | C32 | O7 | 123.7° | 120.1° |
| C27 | C26 | S2 | 122.0° | 125.3° |
| C27 | C26 | N6 | 124.1° | 125.3° |
| C32 | O7 | H37 | 109.5° | 114.0° |
| N4 | C16 | S1 | 114.2° | 109.4° |
| C16 | N4 | C14 | 111.0° | 115.7° |
| C16 | S1 | C15 | 89.5° | 90.6° |
| S2 | C26 | N6 | 113.8° | 109.4° |
| C26 | S2 | C25 | 89.6° | 90.5° |
| C26 | N6 | C24 | 111.6° | 115.8° |
| S2 | C25 | C24 | 110.3° | 109.2° |
| S2 | C25 | H30 | 124.9° | 125.4° |
| N6 | C24 | C25 | 114.5° | 115.1° |
| N6 | C24 | C23 | 118.8° | 122.4° |
| N4 | C14 | C15 | 115.2° | 115.2° |
| N4 | C14 | C13 | 118.2° | 122.4° |
| S1 | C15 | C14 | 109.9° | 109.1° |
| S1 | C15 | H23 | 125.1° | 125.4° |
| C25 | C24 | C23 | 126.4° | 122.4° |
| C24 | C25 | H30 | 124.9° | 125.5° |
| C24 | C23 | O6 | 121.4° | 120.0° |
| C24 | C23 | N5 | 118.5° | 120.0° |
| O6 | C23 | N5 | 120.1° | 120.0° |
| C15 | C14 | C13 | 126.2° | 122.4° |
| C14 | C15 | H23 | 125.0° | 125.4° |
| C14 | C13 | O4 | 121.7° | 120.0° |
| C14 | C13 | N3 | 115.3° | 120.0° |
| C23 | N5 | C8 | 119.4° | 120.0° |
| C23 | N5 | H35 | 120.3° | 120.0° |
| O4 | C13 | N3 | 122.9° | 120.0° |
| C13 | N3 | C12 | 122.5° | 120.0° |
| C13 | N3 | H20 | 118.8° | 120.1° |
| N5 | C8 | C7 | 113.8° | 109.5° |
| N5 | C8 | C9 | 112.1° | 109.5° |
| N5 | C8 | H8 | 108.5° | 109.5° |
| C8 | N5 | H35 | 120.3° | 120.0° |
| C6 | N2 | C7 | 125.7° | 120.0° |
| N2 | C6 | C5 | 114.3° | 109.5° |
| N2 | C6 | H5 | 108.3° | 109.5° |
| N2 | C6 | H6 | 108.3° | 109.5° |
| C6 | N2 | H17 | 117.2° | 119.9° |
| N2 | C7 | C8 | 118.0° | 119.9° |
| N2 | C7 | O3 | 122.4° | 120.1° |
| C7 | N2 | H17 | 117.2° | 120.1° |
| C6 | C5 | O2 | 111.8° | 109.4° |
| C6 | C5 | H3 | 108.9° | 109.5° |
| C6 | C5 | H4 | 108.9° | 109.5° |
| C5 | C6 | H5 | 108.3° | 109.4° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C5 | O2 | C4 | 115.8° | 114.0° |
| O2 | C5 | H3 | 108.9° | 109.5° |
| O2 | C5 | H4 | 108.9° | 109.5° |
| C7 | C8 | C9 | 106.9° | 109.5° |
| C8 | C7 | O3 | 119.6° | 120.0° |
| C7 | C8 | H8 | 107.7° | 109.5° |
| C8 | C9 | C10 | 117.2° | 109.5° |
| C9 | C8 | H8 | 107.6° | 109.5° |
| C8 | C9 | H9 | 107.5° | 109.5° |
| C8 | C9 | H10 | 107.5° | 109.5° |
| N3 | C12 | C11 | 112.3° | 109.5° |
| N3 | C12 | H12 | 108.8° | 109.4° |
| N3 | C12 | H13 | 108.8° | 109.5° |
| C12 | N3 | H20 | 118.7° | 120.0° |
| O2 | C4 | C3 | 108.3° | 109.4° |
| O2 | C4 | H1 | 109.7° | 109.5° |
| O2 | C4 | H2 | 109.7° | 109.5° |
| C9 | C10 | C11 | 116.8° | 120.0° |
| C10 | C9 | H9 | 107.5° | 109.4° |
| C10 | C9 | H10 | 107.5° | 109.5° |
| C9 | C10 | H11 | 121.6° | 120.0° |
| C12 | C11 | C10 | 116.9° | 120.0° |
| C12 | C11 | H7 | 121.5° | 120.0° |
| C11 | C12 | H12 | 108.8° | 109.5° |
| C11 | C12 | H13 | 108.8° | 109.5° |
| C10 | C11 | H7 | 121.6° | 120.0° |
| C11 | C10 | H11 | 121.6° | 120.0° |
| C4 | C3 | O1 | 109.9° | 109.5° |
| C3 | C4 | H1 | 109.8° | 109.5° |
| C3 | C4 | H2 | 109.7° | 109.4° |
| C4 | C3 | H18 | 109.4° | 109.5° |
| C4 | C3 | H19 | 109.3° | 109.5° |
| C3 | O1 | C2 | 112.6° | 114.0° |
| O1 | C3 | H18 | 109.4° | 109.5° |
| O1 | C3 | H19 | 109.4° | 109.5° |
| N1 | C1 | C2 | 111.3° | 109.5° |
| C1 | N1 | H14 | 109.5° | 110.9° |
| C1 | N1 | H15 | 109.5° | 111.0° |
| N1 | C1 | H21 | 109.0° | 109.5° |
| N1 | C1 | H22 | 109.0° | 109.5° |
| O1 | C2 | C1 | 108.6° | 109.5° |
| O1 | C2 | H26 | 109.7° | 109.5° |
| O1 | C2 | H27 | 109.7° | 109.4° |
| C2 | C1 | H21 | 109.0° | 109.4° |
| C2 | C1 | H22 | 109.0° | 109.4° |
| C1 | C2 | H26 | 109.7° | 109.5° |
| C1 | C2 | H27 | 109.7° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | N1 | H15 | 109.5° | 111.0° |
| H18 | C3 | H19 | 109.5° | 109.4° |
| H21 | C1 | H22 | 109.5° | 109.5° |
| H26 | C2 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H28 | 180.0° | 179.9° |
| C20 | C19 | C18 | H25 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.4° |
| C20 | C19 | C18 | C17 | 0.8° | 0.0° |
| C20 | C19 | C18 | H24 | 179.2° | 180.0° |
| C19 | C20 | C21 | H29 | 179.8° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.1° |
| C20 | C21 | C22 | H29 | 180.0° | 179.6° |
| C20 | C21 | C22 | C17 | 1.4° | 0.6° |
| C20 | C21 | C22 | O5 | 179.7° | 180.0° |
| C21 | C20 | C19 | H25 | 179.9° | 180.0° |
| C19 | C18 | C17 | H24 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 2.0° | 0.3° |
| C19 | C18 | C17 | C16 | 177.9° | 180.0° |
| C18 | C19 | C20 | H28 | 179.9° | 179.9° |
| C21 | C22 | C17 | C18 | 2.3° | 0.6° |
| C21 | C22 | C17 | O5 | 178.9° | 179.4° |
| C21 | C22 | C17 | C16 | 178.2° | 179.7° |
| C22 | C21 | C20 | H28 | 179.9° | 179.7° |
| C21 | C22 | O5 | H36 | 180.0° | 90.0° |
| C30 | C29 | C28 | H32 | 180.0° | 180.0° |
| C29 | C30 | C31 | H33 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 1.9° | 0.1° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C30 | C29 | C28 | H31 | 178.1° | 180.0° |
| C29 | C30 | C31 | H34 | 179.8° | 180.0° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C29 | C28 | C27 | H31 | 180.0° | 180.0° |
| C29 | C28 | C27 | C32 | 2.2° | 0.1° |
| C29 | C28 | C27 | C26 | 179.7° | 179.7° |
| C28 | C29 | C30 | H33 | 179.3° | 180.0° |
| C30 | C31 | C32 | H34 | 180.0° | 180.0° |
| C30 | C31 | C32 | C27 | 0.1° | 0.1° |
| C30 | C31 | C32 | O7 | 179.5° | 179.7° |
| C31 | C30 | C29 | H32 | 179.3° | 180.0° |
| C18 | C17 | C22 | C16 | 175.9° | 179.7° |
| C18 | C17 | C22 | O5 | 178.8° | 179.9° |
| C18 | C17 | C16 | N4 | 177.9° | 0.0° |
| C18 | C17 | C16 | S1 | 1.0° | 179.7° |
| C17 | C18 | C19 | H25 | 179.2° | 179.9° |
| C22 | C17 | C16 | N4 | 2.1° | 179.7° |
| C22 | C17 | C16 | S1 | 174.9° | 0.0° |
| C22 | C17 | C18 | H24 | 178.0° | 179.7° |
| C17 | C22 | C21 | H29 | 178.6° | 179.7° |
| C17 | C22 | O5 | H36 | 1.0° | 90.6° |
| O5 | C22 | C17 | C16 | 2.9° | 0.3° |
| O5 | C22 | C21 | H29 | 0.3° | 0.3° |
| C28 | C27 | C32 | C31 | 1.3° | 0.0° |
| C28 | C27 | C32 | C26 | 177.3° | 179.8° |
| C28 | C27 | C32 | O7 | 179.4° | 179.8° |
| C28 | C27 | C26 | S2 | 11.6° | 179.8° |
| C28 | C27 | C26 | N6 | 163.9° | 0.2° |
| C27 | C28 | C29 | H32 | 178.1° | 180.0° |
| C31 | C32 | C27 | O7 | 179.3° | 179.8° |
| C31 | C32 | C27 | C26 | 178.6° | 179.8° |
| C32 | C31 | C30 | H33 | 179.8° | 179.9° |
| C31 | C32 | O7 | H37 | 149.3° | 90.2° |
| C17 | C16 | N4 | S1 | 177.2° | 179.7° |
| C17 | C16 | N4 | C14 | 179.8° | 180.0° |
| C17 | C16 | S1 | C15 | 177.1° | 179.9° |
| C16 | C17 | C18 | H24 | 2.1° | 0.0° |
| C32 | C27 | C26 | S2 | 165.7° | 0.0° |
| C32 | C27 | C26 | N6 | 18.8° | 179.9° |
| C32 | C27 | C28 | H31 | 177.8° | 180.0° |
| C27 | C32 | C31 | H34 | 179.9° | 179.9° |
| C27 | C32 | O7 | H37 | 31.3° | 90.0° |
| C26 | C27 | C32 | O7 | 2.1° | 0.0° |
| C27 | C26 | S2 | N6 | 176.0° | 180.0° |
| C27 | C26 | S2 | C25 | 178.9° | 180.0° |
| C27 | C26 | N6 | C24 | 176.8° | 179.8° |
| C26 | C27 | C28 | H31 | 0.3° | 0.2° |
| O7 | C32 | C31 | H34 | 0.5° | 0.3° |
| N4 | C16 | S1 | C15 | 0.1° | 0.4° |
| C16 | N4 | C14 | C15 | 4.9° | 0.1° |
| C16 | N4 | C14 | C13 | 177.6° | 179.7° |
| S1 | C16 | N4 | C14 | 2.5° | 0.2° |
| C16 | S1 | C15 | C14 | 2.8° | 0.4° |
| C16 | S1 | C15 | H23 | 177.2° | 179.7° |
| S2 | C26 | N6 | C24 | 0.9° | 0.1° |
| C26 | S2 | C25 | C24 | 4.2° | 0.2° |
| C26 | S2 | C25 | H30 | 175.8° | 179.9° |
| N6 | C26 | S2 | C25 | 3.0° | 0.0° |
| C26 | N6 | C24 | C25 | 2.5° | 0.3° |
| C26 | N6 | C24 | C23 | 177.3° | 180.0° |
| S2 | C25 | C24 | N6 | 4.7° | 0.3° |
| S2 | C25 | C24 | H30 | 180.0° | 179.9° |
| S2 | C25 | C24 | C23 | 179.0° | 180.0° |
| N6 | C24 | C25 | C23 | 174.4° | 179.7° |
| N6 | C24 | C23 | O6 | 22.0° | 179.7° |
| N6 | C24 | C23 | N5 | 156.6° | 0.3° |
| N6 | C24 | C25 | H30 | 175.3° | 179.8° |
| N4 | C14 | C15 | S1 | 4.9° | 0.3° |
| N4 | C14 | C15 | C13 | 172.1° | 179.6° |
| N4 | C14 | C13 | O4 | 19.9° | 179.7° |
| N4 | C14 | C13 | N3 | 155.6° | 0.4° |
| N4 | C14 | C15 | H23 | 175.1° | 179.8° |
| S1 | C15 | C14 | H23 | 180.0° | 179.9° |
| S1 | C15 | C14 | C13 | 177.0° | 180.0° |
| C25 | C24 | C23 | O6 | 163.9° | 0.0° |
| C25 | C24 | C23 | N5 | 17.6° | 180.0° |
| C24 | C23 | O6 | N5 | 178.5° | 180.0° |
| C24 | C23 | N5 | C8 | 167.7° | 180.0° |
| C23 | C24 | C25 | H30 | 1.0° | 0.1° |
| C24 | C23 | N5 | H35 | 12.3° | 0.0° |
| O6 | C23 | N5 | C8 | 10.8° | 0.0° |
| O6 | C23 | N5 | H35 | 169.2° | 180.0° |
| C15 | C14 | C13 | O4 | 168.2° | 0.1° |
| C15 | C14 | C13 | N3 | 16.3° | 180.0° |
| C14 | C13 | O4 | N3 | 175.2° | 179.9° |
| C14 | C13 | N3 | C12 | 164.8° | 180.0° |
| C14 | C13 | N3 | H20 | 15.1° | 0.1° |
| C13 | C14 | C15 | H23 | 3.0° | 0.1° |
| C23 | N5 | C8 | H35 | 180.0° | 180.0° |
| C23 | N5 | C8 | C7 | 136.0° | 60.0° |
| C23 | N5 | C8 | C9 | 102.5° | 60.0° |
| C23 | N5 | C8 | H8 | 16.2° | 180.0° |
| O4 | C13 | N3 | C12 | 10.6° | 0.1° |
| O4 | C13 | N3 | H20 | 169.4° | 180.0° |
| C13 | N3 | C12 | H20 | 180.0° | 179.9° |
| C13 | N3 | C12 | C11 | 59.6° | 180.0° |
| C13 | N3 | C12 | H12 | 179.9° | 60.1° |
| C13 | N3 | C12 | H13 | 60.8° | 60.0° |
| N5 | C8 | C7 | N2 | 54.7° | 160.0° |
| N5 | C8 | C7 | C9 | 124.4° | 120.0° |
| N5 | C8 | C7 | H8 | 120.3° | 120.0° |
| N5 | C8 | C9 | H8 | 119.2° | 120.0° |
| N5 | C8 | C7 | O3 | 124.3° | 20.0° |
| N5 | C8 | C9 | C10 | 88.8° | 65.0° |
| N5 | C8 | C9 | H9 | 32.3° | 54.9° |
| N5 | C8 | C9 | H10 | 150.1° | 175.0° |
| C6 | N2 | C7 | H17 | 180.0° | 180.0° |
| N2 | C6 | C5 | H5 | 120.7° | 120.0° |
| N2 | C6 | C5 | H6 | 120.7° | 120.1° |
| N2 | C6 | C5 | O2 | 70.7° | 65.0° |
| C6 | N2 | C7 | C8 | 175.2° | 180.0° |
| C6 | N2 | C7 | O3 | 3.7° | 0.0° |
| N2 | C6 | C5 | H3 | 168.9° | 175.0° |
| N2 | C6 | C5 | H4 | 49.7° | 55.0° |
| N2 | C6 | H5 | H6 | 117.8° | 120.0° |
| C7 | N2 | C6 | C5 | 69.2° | 180.0° |
| N2 | C7 | C8 | O3 | 178.9° | 180.0° |
| N2 | C7 | C8 | C9 | 179.0° | 80.0° |
| C7 | N2 | C6 | H5 | 51.5° | 60.0° |
| C7 | N2 | C6 | H6 | 170.1° | 60.0° |
| N2 | C7 | C8 | H8 | 65.6° | 40.0° |
| C6 | C5 | O2 | H3 | 120.4° | 120.0° |
| C6 | C5 | O2 | H4 | 120.3° | 120.0° |
| C6 | C5 | O2 | C4 | 149.7° | 180.0° |
| C6 | C5 | H3 | H4 | 118.9° | 120.0° |
| C5 | C6 | H5 | H6 | 117.8° | 120.0° |
| C5 | C6 | N2 | H17 | 110.8° | 0.0° |
| C5 | O2 | C4 | C3 | 176.4° | 180.0° |
| C5 | O2 | C4 | H1 | 56.6° | 60.0° |
| C5 | O2 | C4 | H2 | 63.8° | 60.1° |
| O2 | C5 | H3 | H4 | 118.9° | 120.0° |
| O2 | C5 | C6 | H5 | 50.0° | 175.0° |
| O2 | C5 | C6 | H6 | 168.6° | 55.0° |
| C7 | C8 | C9 | H8 | 115.4° | 120.0° |
| C7 | C8 | C9 | C10 | 145.8° | 175.0° |
| C7 | C8 | C9 | H9 | 93.1° | 65.0° |
| C7 | C8 | C9 | H10 | 24.7° | 55.0° |
| C8 | C7 | N2 | H17 | 4.8° | 0.0° |
| C7 | C8 | N5 | H35 | 44.0° | 120.0° |
| C9 | C8 | C7 | O3 | 0.1° | 100.0° |
| C8 | C9 | C10 | H9 | 121.1° | 120.0° |
| C8 | C9 | C10 | H10 | 121.1° | 120.0° |
| C8 | C9 | C10 | C11 | 100.7° | 125.0° |
| C8 | C9 | H9 | H10 | 116.5° | 120.0° |
| C8 | C9 | C10 | H11 | 79.3° | 55.1° |
| C9 | C8 | N5 | H35 | 77.5° | 120.0° |
| O3 | C7 | C8 | H8 | 115.4° | 140.0° |
| O3 | C7 | N2 | H17 | 176.3° | 180.0° |
| N3 | C12 | C11 | H12 | 120.4° | 119.9° |
| N3 | C12 | C11 | H13 | 120.4° | 120.0° |
| N3 | C12 | C11 | C10 | 57.4° | 125.0° |
| N3 | C12 | C11 | H7 | 122.6° | 55.0° |
| N3 | C12 | H12 | H13 | 118.7° | 120.0° |
| O2 | C4 | C3 | H1 | 119.8° | 120.0° |
| O2 | C4 | C3 | H2 | 119.8° | 120.0° |
| O2 | C4 | C3 | O1 | 48.9° | 65.0° |
| O2 | C4 | H1 | H2 | 120.5° | 120.1° |
| C4 | O2 | C5 | H3 | 29.3° | 60.0° |
| C4 | O2 | C5 | H4 | 89.9° | 60.0° |
| O2 | C4 | C3 | H18 | 168.9° | 175.0° |
| O2 | C4 | C3 | H19 | 71.2° | 55.0° |
| C9 | C10 | C11 | C12 | 174.8° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | H7 | 5.2° | 0.1° |
| C10 | C9 | C8 | H8 | 30.4° | 55.0° |
| C10 | C9 | H9 | H10 | 116.5° | 120.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | H11 | 5.2° | 0.1° |
| C11 | C12 | H12 | H13 | 118.7° | 120.0° |
| C11 | C12 | N3 | H20 | 120.3° | 0.0° |
| C11 | C10 | C9 | H9 | 20.4° | 5.1° |
| C11 | C10 | C9 | H10 | 138.2° | 114.9° |
| C10 | C11 | C12 | H12 | 63.1° | 115.1° |
| C10 | C11 | C12 | H13 | 177.8° | 5.0° |
| C4 | C3 | O1 | H18 | 120.1° | 120.0° |
| C4 | C3 | O1 | H19 | 120.1° | 120.0° |
| C4 | C3 | O1 | C2 | 140.6° | 180.0° |
| C3 | C4 | H1 | H2 | 120.5° | 120.0° |
| C4 | C3 | H18 | H19 | 119.8° | 120.0° |
| C3 | O1 | C2 | C1 | 171.5° | 180.0° |
| O1 | C3 | C4 | H1 | 71.0° | 175.0° |
| O1 | C3 | C4 | H2 | 168.7° | 55.0° |
| O1 | C3 | H18 | H19 | 119.8° | 120.0° |
| C3 | O1 | C2 | H26 | 68.6° | 59.9° |
| C3 | O1 | C2 | H27 | 51.6° | 60.1° |
| N1 | C1 | C2 | O1 | 60.5° | 65.0° |
| N1 | C1 | C2 | H21 | 120.3° | 120.0° |
| N1 | C1 | C2 | H22 | 120.3° | 119.9° |
| C1 | N1 | H14 | H15 | 120.0° | 123.9° |
| N1 | C1 | H21 | H22 | 119.2° | 120.0° |
| N1 | C1 | C2 | H26 | 179.7° | 175.0° |
| N1 | C1 | C2 | H27 | 59.4° | 54.9° |
| O1 | C2 | C1 | H26 | 119.9° | 120.0° |
| O1 | C2 | C1 | H27 | 119.9° | 119.9° |
| C2 | O1 | C3 | H18 | 99.3° | 60.0° |
| C2 | O1 | C3 | H19 | 20.5° | 60.0° |
| O1 | C2 | C1 | H21 | 179.3° | 55.0° |
| O1 | C2 | C1 | H22 | 59.9° | 175.1° |
| O1 | C2 | H26 | H27 | 120.4° | 120.0° |
| C2 | C1 | N1 | H14 | 180.0° | 180.0° |
| C2 | C1 | N1 | H15 | 60.0° | 56.1° |
| C2 | C1 | H21 | H22 | 119.1° | 120.0° |
| C1 | C2 | H26 | H27 | 120.4° | 120.0° |
| H1 | C4 | C3 | H18 | 49.1° | 55.0° |
| H1 | C4 | C3 | H19 | 169.0° | 64.9° |
| H2 | C4 | C3 | H18 | 71.3° | 65.0° |
| H2 | C4 | C3 | H19 | 48.6° | 175.0° |
| H3 | C5 | C6 | H5 | 70.4° | 55.0° |
| H3 | C5 | C6 | H6 | 48.2° | 65.0° |
| H4 | C5 | C6 | H5 | 170.4° | 65.0° |
| H4 | C5 | C6 | H6 | 71.0° | 175.1° |
| H5 | C6 | N2 | H17 | 128.5° | 120.0° |
| H6 | C6 | N2 | H17 | 9.9° | 120.1° |
| H7 | C11 | C10 | H11 | 174.8° | 180.0° |
| H7 | C11 | C12 | H12 | 116.9° | 65.0° |
| H7 | C11 | C12 | H13 | 2.2° | 175.0° |
| H8 | C8 | C9 | H9 | 151.5° | 175.0° |
| H8 | C8 | C9 | H10 | 90.7° | 65.0° |
| H8 | C8 | N5 | H35 | 163.9° | 0.0° |
| H9 | C9 | C10 | H11 | 159.6° | 175.0° |
| H10 | C9 | C10 | H11 | 41.8° | 65.0° |
| H12 | C12 | N3 | H20 | 0.1° | 120.0° |
| H13 | C12 | N3 | H20 | 119.2° | 120.0° |
| H14 | N1 | C1 | H21 | 59.7° | 60.0° |
| H14 | N1 | C1 | H22 | 59.7° | 60.0° |
| H15 | N1 | C1 | H21 | 60.2° | 63.9° |
| H15 | N1 | C1 | H22 | 179.7° | 176.0° |
| H21 | C1 | C2 | H26 | 59.4° | 65.0° |
| H21 | C1 | C2 | H27 | 60.9° | 174.9° |
| H22 | C1 | C2 | H26 | 60.0° | 55.0° |
| H22 | C1 | C2 | H27 | 179.7° | 65.0° |
| H24 | C18 | C19 | H25 | 0.8° | 0.0° |
| H25 | C19 | C20 | H28 | 0.2° | 0.1° |
| H28 | C20 | C21 | H29 | 0.1° | 0.1° |
| H31 | C28 | C29 | H32 | 1.9° | 0.0° |
| H32 | C29 | C30 | H33 | 0.7° | 0.0° |
| H33 | C30 | C31 | H34 | 0.2° | 0.0° |
