A1IMT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N4 | sing | 1.47Å | 1.46Å | |
| C24 | N4 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.51Å | 1.49Å | |
| N4 | C25 | sing | 1.47Å | 1.48Å | |
| C23 | C22 | doub | 1.33Å | 1.32Å | |
| C22 | C21 | sing | 1.47Å | 1.47Å | |
| C31 | N6 | sing | 1.46Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| N6 | C30 | sing | 1.35Å | 1.35Å | |
| C32 | C28 | sing | 1.52Å | 1.50Å | |
| O2 | C21 | doub | 1.22Å | 1.23Å | |
| C21 | N3 | sing | 1.35Å | 1.38Å | |
| C30 | O3 | doub | 1.22Å | 1.24Å | |
| C30 | C29 | sing | 1.42Å | 1.46Å | |
| C28 | C29 | doub | 1.36Å | 1.37Å | |
| C28 | N5 | sing | 1.36Å | 1.35Å | |
| C29 | C8 | sing | 1.50Å | 1.43Å | |
| C20 | N3 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | sing | 1.55Å | 1.52Å | |
| N3 | C17 | sing | 1.47Å | 1.48Å | |
| N5 | C9 | sing | 1.47Å | 1.38Å | |
| C8 | C9 | sing | 1.54Å | 1.40Å | |
| C8 | N1 | sing | 1.47Å | 1.37Å | |
| C9 | C10 | sing | 1.51Å | 1.48Å | |
| N1 | C7 | sing | 1.40Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C17 | C16 | sing | 1.47Å | 1.48Å | |
| C17 | C27 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.55Å | |
| C16 | C15 | trip | 1.17Å | 1.20Å | |
| C19 | C18 | sing | 1.55Å | 1.50Å | |
| C15 | C14 | sing | 1.43Å | 1.44Å | |
| C10 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | CL1 | sing | 1.74Å | 1.73Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N4 | C24 | 110.3° | 111.0° |
| C26 | N4 | C25 | 107.8° | 111.0° |
| N4 | C26 | H13 | 109.5° | 109.5° |
| N4 | C26 | H14 | 109.4° | 109.5° |
| N4 | C26 | H15 | 109.5° | 109.5° |
| N4 | C24 | C23 | 110.6° | 109.5° |
| C24 | N4 | C25 | 113.3° | 111.0° |
| N4 | C24 | H11 | 109.2° | 109.5° |
| N4 | C24 | H12 | 109.2° | 109.5° |
| C24 | C23 | C22 | 125.7° | 120.0° |
| C23 | C24 | H11 | 109.2° | 109.5° |
| C23 | C24 | H12 | 109.2° | 109.4° |
| C24 | C23 | H10 | 117.2° | 120.0° |
| N4 | C25 | H29 | 109.5° | 109.5° |
| N4 | C25 | H30 | 109.5° | 109.5° |
| N4 | C25 | H31 | 109.5° | 109.4° |
| C23 | C22 | C21 | 122.1° | 120.0° |
| C23 | C22 | H9 | 119.0° | 120.0° |
| C22 | C23 | H10 | 117.2° | 120.0° |
| C22 | C21 | O2 | 121.8° | 120.0° |
| C22 | C21 | N3 | 116.1° | 120.0° |
| C21 | C22 | H9 | 118.9° | 120.0° |
| N6 | C31 | C32 | 113.7° | 111.7° |
| C31 | N6 | C30 | 123.9° | 121.9° |
| C31 | N6 | H36 | 118.1° | 119.0° |
| N6 | C31 | H37 | 108.4° | 109.0° |
| N6 | C31 | H38 | 108.4° | 109.0° |
| C31 | C32 | C28 | 107.9° | 108.5° |
| C32 | C31 | H37 | 108.4° | 109.1° |
| C32 | C31 | H38 | 108.4° | 109.0° |
| C31 | C32 | H39 | 109.9° | 109.7° |
| C31 | C32 | H40 | 109.9° | 109.6° |
| N6 | C30 | O3 | 121.1° | 121.1° |
| N6 | C30 | C29 | 114.9° | 117.8° |
| C30 | N6 | H36 | 118.0° | 119.1° |
| C32 | C28 | C29 | 125.1° | 120.6° |
| C32 | C28 | N5 | 126.8° | 126.5° |
| C28 | C32 | H39 | 109.9° | 109.7° |
| C28 | C32 | H40 | 109.8° | 109.6° |
| O2 | C21 | N3 | 121.9° | 120.0° |
| C21 | N3 | C20 | 122.3° | 125.6° |
| C21 | N3 | C17 | 126.3° | 125.7° |
| O3 | C30 | C29 | 124.0° | 121.1° |
| C30 | C29 | C28 | 120.7° | 122.2° |
| C30 | C29 | C8 | 131.6° | 128.7° |
| C29 | C28 | N5 | 108.2° | 112.8° |
| C28 | C29 | C8 | 107.6° | 109.1° |
| C28 | N5 | C9 | 110.1° | 110.2° |
| C28 | N5 | H35 | 109.3° | 124.9° |
| C29 | C8 | C9 | 106.2° | 103.6° |
| C29 | C8 | N1 | 117.9° | 110.6° |
| C29 | C8 | H5 | 95.9° | 110.7° |
| N3 | C20 | C19 | 104.3° | 104.8° |
| C20 | N3 | C17 | 111.4° | 108.7° |
| N3 | C20 | H7 | 110.7° | 110.4° |
| N3 | C20 | H8 | 110.8° | 110.4° |
| C20 | C19 | C18 | 102.4° | 101.6° |
| C19 | C20 | H7 | 110.7° | 110.3° |
| C19 | C20 | H8 | 110.7° | 110.4° |
| C20 | C19 | H24 | 111.2° | 111.0° |
| C20 | C19 | H25 | 111.2° | 111.0° |
| N3 | C17 | C16 | 116.0° | 109.9° |
| N3 | C17 | C27 | 107.6° | 109.9° |
| N3 | C17 | C18 | 99.5° | 107.3° |
| N5 | C9 | C8 | 106.5° | 104.3° |
| N5 | C9 | C10 | 120.7° | 110.5° |
| N5 | C9 | H19 | 97.0° | 110.6° |
| C9 | N5 | H35 | 109.3° | 124.9° |
| C9 | C8 | N1 | 132.5° | 110.6° |
| C8 | C9 | C10 | 128.6° | 110.4° |
| C9 | C8 | H5 | 96.0° | 110.6° |
| C8 | C9 | H19 | 96.9° | 110.5° |
| C8 | N1 | C7 | 132.6° | 120.0° |
| C8 | N1 | H1 | 103.4° | 120.0° |
| N1 | C8 | H5 | 96.1° | 110.6° |
| C9 | C10 | C14 | 124.8° | 120.8° |
| C9 | C10 | C11 | 118.7° | 120.9° |
| C10 | C9 | H19 | 96.5° | 110.4° |
| N1 | C7 | C2 | 116.4° | 120.1° |
| N1 | C7 | C6 | 123.6° | 120.1° |
| C7 | N1 | H1 | 103.4° | 120.0° |
| C1 | O1 | C2 | 119.0° | 117.0° |
| O1 | C1 | H16 | 109.5° | 109.5° |
| O1 | C1 | H17 | 109.5° | 109.4° |
| O1 | C1 | H18 | 109.5° | 109.5° |
| O1 | C2 | C7 | 114.8° | 120.1° |
| O1 | C2 | C3 | 124.7° | 120.1° |
| C16 | C17 | C27 | 108.2° | 109.9° |
| C16 | C17 | C18 | 109.8° | 109.9° |
| C17 | C16 | C15 | 180.0° | 180.0° |
| C27 | C17 | C18 | 115.7° | 110.0° |
| C17 | C27 | H32 | 109.5° | 109.5° |
| C17 | C27 | H33 | 109.5° | 109.4° |
| C17 | C27 | H34 | 109.5° | 109.5° |
| C17 | C18 | C19 | 103.6° | 103.0° |
| C17 | C18 | H22 | 110.9° | 110.7° |
| C17 | C18 | H23 | 110.9° | 110.7° |
| C16 | C15 | C14 | 174.0° | 180.0° |
| C19 | C18 | H22 | 110.9° | 110.7° |
| C19 | C18 | H23 | 110.9° | 110.9° |
| C18 | C19 | H24 | 111.2° | 111.0° |
| C18 | C19 | H25 | 111.2° | 111.0° |
| C15 | C14 | C10 | 122.4° | 120.6° |
| C15 | C14 | C13 | 117.7° | 120.5° |
| C14 | C10 | C11 | 115.4° | 118.3° |
| C10 | C14 | C13 | 119.7° | 118.9° |
| C10 | C11 | C12 | 120.3° | 119.3° |
| C10 | C11 | H20 | 119.8° | 120.4° |
| C14 | C13 | N2 | 123.2° | 120.5° |
| C14 | C13 | H6 | 118.4° | 119.8° |
| C11 | C12 | N2 | 123.9° | 121.1° |
| C12 | C11 | H20 | 119.9° | 120.3° |
| C11 | C12 | H21 | 118.0° | 119.5° |
| C13 | N2 | C12 | 117.1° | 121.9° |
| N2 | C13 | H6 | 118.4° | 119.8° |
| C2 | C7 | C6 | 119.8° | 119.9° |
| C7 | C2 | C3 | 118.6° | 119.8° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C7 | C6 | H4 | 120.3° | 120.0° |
| N2 | C12 | H21 | 118.1° | 119.4° |
| C2 | C3 | CL1 | 118.2° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.2° |
| C6 | C5 | H3 | 119.7° | 119.9° |
| C5 | C6 | H4 | 120.3° | 120.0° |
| CL1 | C3 | C4 | 119.4° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.2° |
| C3 | C4 | H2 | 120.1° | 119.9° |
| C5 | C4 | H2 | 120.1° | 119.9° |
| C4 | C5 | H3 | 119.7° | 119.9° |
| H7 | C20 | H8 | 109.5° | 110.4° |
| H11 | C24 | H12 | 109.5° | 109.4° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H13 | C26 | H15 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.4° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H18 | 109.4° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 110.7° |
| H24 | C19 | H25 | 109.5° | 110.9° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H29 | C25 | H31 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.4° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.4° | 109.4° |
| H37 | C31 | H38 | 109.5° | 108.9° |
| H39 | C32 | H40 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N4 | C24 | C25 | 120.8° | 124.0° |
| C26 | N4 | C24 | C23 | 177.2° | 66.0° |
| C26 | N4 | C24 | H11 | 57.1° | 54.0° |
| C26 | N4 | C24 | H12 | 62.7° | 174.0° |
| N4 | C26 | H13 | H14 | 120.0° | 120.0° |
| N4 | C26 | H13 | H15 | 120.0° | 120.0° |
| N4 | C26 | H14 | H15 | 120.0° | 120.0° |
| C26 | N4 | C25 | H29 | 180.0° | 176.1° |
| C26 | N4 | C25 | H30 | 60.0° | 56.0° |
| C26 | N4 | C25 | H31 | 60.0° | 64.0° |
| N4 | C24 | C23 | H11 | 120.2° | 120.1° |
| N4 | C24 | C23 | H12 | 120.2° | 120.1° |
| N4 | C24 | C23 | C22 | 66.6° | 125.0° |
| N4 | C24 | H11 | H12 | 119.5° | 120.0° |
| C24 | N4 | C26 | H13 | 180.0° | 60.0° |
| C24 | N4 | C26 | H14 | 60.0° | 180.0° |
| C24 | N4 | C26 | H15 | 60.0° | 60.0° |
| C24 | N4 | C25 | H29 | 57.8° | 59.9° |
| C24 | N4 | C25 | H30 | 177.8° | 180.0° |
| C24 | N4 | C25 | H31 | 62.2° | 60.0° |
| N4 | C24 | C23 | H10 | 113.4° | 55.0° |
| C23 | C24 | N4 | C25 | 56.4° | 170.0° |
| C24 | C23 | C22 | H10 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 153.2° | 180.0° |
| C23 | C24 | H11 | H12 | 119.5° | 119.9° |
| C24 | C23 | C22 | H9 | 26.7° | 0.0° |
| C25 | N4 | C24 | H11 | 63.8° | 70.0° |
| C25 | N4 | C24 | H12 | 176.5° | 50.0° |
| C25 | N4 | C26 | H13 | 55.9° | 64.0° |
| C25 | N4 | C26 | H14 | 176.0° | 56.0° |
| C25 | N4 | C26 | H15 | 64.0° | 176.0° |
| N4 | C25 | H29 | H30 | 120.0° | 120.1° |
| N4 | C25 | H29 | H31 | 120.0° | 119.9° |
| N4 | C25 | H30 | H31 | 120.0° | 119.9° |
| C23 | C22 | C21 | H9 | 180.0° | 179.9° |
| C23 | C22 | C21 | O2 | 9.4° | 0.1° |
| C23 | C22 | C21 | N3 | 175.3° | 180.0° |
| C22 | C23 | C24 | H11 | 173.2° | 114.9° |
| C22 | C23 | C24 | H12 | 53.6° | 5.0° |
| C22 | C21 | O2 | N3 | 175.0° | 179.9° |
| C22 | C21 | N3 | C20 | 11.2° | 0.4° |
| C22 | C21 | N3 | C17 | 167.2° | 179.9° |
| C21 | C22 | C23 | H10 | 26.7° | 0.1° |
| N6 | C31 | C32 | H37 | 120.6° | 120.6° |
| N6 | C31 | C32 | H38 | 120.7° | 120.6° |
| C31 | N6 | C30 | H36 | 180.0° | 179.9° |
| N6 | C31 | C32 | C28 | 39.0° | 46.0° |
| C31 | N6 | C30 | O3 | 165.6° | 169.7° |
| C31 | N6 | C30 | C29 | 17.0° | 10.4° |
| N6 | C31 | H37 | H38 | 118.1° | 118.9° |
| N6 | C31 | C32 | H39 | 158.8° | 73.8° |
| N6 | C31 | C32 | H40 | 80.8° | 165.7° |
| C32 | C31 | N6 | C30 | 42.2° | 39.8° |
| C31 | C32 | C28 | H39 | 119.8° | 119.8° |
| C31 | C32 | C28 | H40 | 119.8° | 119.7° |
| C31 | C32 | C28 | C29 | 19.2° | 29.8° |
| C31 | C32 | C28 | N5 | 162.4° | 150.8° |
| C32 | C31 | N6 | H36 | 137.7° | 140.2° |
| C32 | C31 | H37 | H38 | 118.1° | 118.9° |
| C31 | C32 | H39 | H40 | 120.7° | 120.5° |
| N6 | C30 | O3 | C29 | 177.2° | 179.9° |
| N6 | C30 | C29 | C28 | 7.2° | 10.2° |
| N6 | C30 | C29 | C8 | 178.1° | 169.2° |
| C30 | N6 | C31 | H37 | 78.4° | 80.8° |
| C30 | N6 | C31 | H38 | 162.9° | 160.4° |
| C32 | C28 | C29 | C30 | 4.4° | 1.6° |
| C32 | C28 | C29 | N5 | 178.6° | 179.5° |
| C32 | C28 | C29 | C8 | 179.8° | 178.9° |
| C32 | C28 | N5 | C9 | 172.5° | 179.0° |
| C32 | C28 | N5 | H35 | 67.4° | 1.1° |
| C28 | C32 | C31 | H37 | 81.6° | 74.6° |
| C28 | C32 | C31 | H38 | 159.6° | 166.6° |
| C28 | C32 | H39 | H40 | 120.7° | 120.5° |
| O2 | C21 | N3 | C20 | 173.5° | 179.7° |
| O2 | C21 | N3 | C17 | 8.0° | 0.0° |
| O2 | C21 | C22 | H9 | 170.6° | 180.0° |
| C21 | N3 | C20 | C17 | 178.6° | 179.7° |
| C21 | N3 | C20 | C19 | 176.6° | 156.2° |
| C21 | N3 | C17 | C16 | 40.5° | 61.4° |
| C21 | N3 | C17 | C27 | 80.8° | 59.6° |
| C21 | N3 | C17 | C18 | 158.2° | 179.2° |
| C21 | N3 | C20 | H7 | 64.3° | 85.0° |
| C21 | N3 | C20 | H8 | 57.4° | 37.4° |
| N3 | C21 | C22 | H9 | 4.7° | 0.1° |
| O3 | C30 | C29 | C28 | 170.1° | 169.7° |
| O3 | C30 | C29 | C8 | 4.6° | 10.9° |
| O3 | C30 | N6 | H36 | 14.5° | 10.4° |
| C30 | C29 | C28 | C8 | 175.8° | 179.5° |
| C30 | C29 | C28 | N5 | 174.2° | 178.9° |
| C30 | C29 | C8 | C9 | 166.8° | 179.0° |
| C30 | C29 | C8 | N1 | 4.8° | 62.5° |
| C30 | C29 | C8 | H5 | 95.2° | 60.5° |
| C29 | C30 | N6 | H36 | 163.0° | 169.6° |
| C29 | C28 | N5 | C9 | 6.1° | 0.5° |
| C28 | C29 | C8 | C9 | 8.4° | 0.4° |
| C28 | C29 | C8 | N1 | 170.4° | 118.1° |
| C28 | C29 | C8 | H5 | 89.5° | 119.0° |
| C29 | C28 | N5 | H35 | 114.0° | 179.5° |
| C29 | C28 | C32 | H39 | 139.0° | 89.9° |
| C29 | C28 | C32 | H40 | 100.5° | 149.5° |
| N5 | C28 | C29 | C8 | 1.6° | 0.6° |
| C28 | N5 | C9 | H35 | 120.1° | 180.0° |
| C28 | N5 | C9 | C8 | 11.3° | 0.2° |
| C28 | N5 | C9 | C10 | 170.1° | 118.9° |
| C28 | N5 | C9 | H19 | 88.0° | 118.5° |
| N5 | C28 | C32 | H39 | 42.6° | 89.5° |
| N5 | C28 | C32 | H40 | 77.8° | 31.1° |
| C29 | C8 | C9 | N5 | 11.8° | 0.1° |
| C29 | C8 | C9 | N1 | 158.2° | 118.5° |
| C29 | C8 | C9 | H5 | 97.9° | 118.7° |
| C29 | C8 | N1 | H5 | 100.0° | 123.0° |
| C29 | C8 | C9 | C10 | 168.4° | 118.6° |
| C29 | C8 | N1 | C7 | 120.7° | 101.5° |
| C29 | C8 | N1 | H1 | 2.2° | 78.1° |
| C29 | C8 | C9 | H19 | 87.6° | 119.0° |
| N3 | C20 | C19 | H7 | 119.2° | 118.8° |
| N3 | C20 | C19 | H8 | 119.2° | 118.8° |
| C20 | N3 | C17 | C16 | 140.9° | 118.3° |
| C20 | N3 | C17 | C27 | 97.8° | 120.6° |
| C20 | N3 | C17 | C18 | 23.2° | 1.1° |
| N3 | C20 | C19 | C18 | 27.5° | 37.0° |
| N3 | C20 | H7 | H8 | 122.4° | 122.4° |
| N3 | C20 | C19 | H24 | 146.4° | 155.1° |
| N3 | C20 | C19 | H25 | 91.4° | 81.1° |
| C19 | C20 | N3 | C17 | 2.1° | 24.1° |
| C20 | C19 | C18 | C17 | 42.5° | 35.5° |
| C20 | C19 | C18 | H24 | 118.9° | 118.1° |
| C20 | C19 | C18 | H25 | 118.8° | 118.1° |
| C19 | C20 | H7 | H8 | 122.4° | 122.3° |
| C20 | C19 | C18 | H22 | 161.6° | 153.8° |
| C20 | C19 | C18 | H23 | 76.5° | 82.9° |
| C20 | C19 | H24 | H25 | 123.3° | 123.8° |
| N3 | C17 | C16 | C27 | 121.0° | 121.0° |
| N3 | C17 | C16 | C18 | 111.8° | 117.8° |
| N3 | C17 | C27 | C18 | 110.2° | 117.9° |
| N3 | C17 | C16 | C15 | 153.8° | 135.6° |
| N3 | C17 | C18 | C19 | 40.1° | 22.2° |
| C17 | N3 | C20 | H7 | 117.1° | 94.7° |
| C17 | N3 | C20 | H8 | 121.3° | 142.9° |
| N3 | C17 | C18 | H22 | 159.1° | 140.6° |
| N3 | C17 | C18 | H23 | 79.0° | 96.3° |
| N3 | C17 | C27 | H32 | 180.0° | 61.5° |
| N3 | C17 | C27 | H33 | 60.0° | 178.5° |
| N3 | C17 | C27 | H34 | 60.0° | 58.6° |
| N5 | C9 | C8 | C10 | 156.6° | 118.7° |
| N5 | C9 | C8 | H19 | 99.4° | 118.8° |
| N5 | C9 | C8 | N1 | 170.0° | 118.4° |
| N5 | C9 | C10 | H19 | 102.1° | 122.7° |
| N5 | C9 | C10 | C14 | 13.4° | 85.1° |
| N5 | C9 | C10 | C11 | 153.5° | 94.6° |
| N5 | C9 | C8 | H5 | 86.1° | 118.8° |
| C9 | C8 | N1 | H5 | 103.8° | 122.8° |
| C8 | C9 | C10 | H19 | 104.2° | 122.5° |
| C9 | C8 | N1 | C7 | 35.5° | 144.4° |
| C8 | C9 | C10 | C14 | 167.1° | 160.1° |
| C8 | C9 | C10 | C11 | 0.2° | 20.2° |
| C9 | C8 | N1 | H1 | 158.4° | 36.0° |
| C8 | C9 | N5 | H35 | 108.8° | 179.8° |
| N1 | C8 | C9 | C10 | 33.4° | 122.9° |
| C8 | N1 | C7 | H1 | 122.9° | 179.7° |
| C8 | N1 | C7 | C2 | 179.9° | 177.4° |
| C8 | N1 | C7 | C6 | 5.5° | 2.5° |
| N1 | C8 | C9 | H19 | 70.6° | 0.5° |
| C9 | C10 | C14 | C15 | 11.8° | 0.3° |
| C9 | C10 | C14 | C11 | 167.3° | 179.7° |
| C9 | C10 | C14 | C13 | 173.5° | 179.7° |
| C9 | C10 | C11 | C12 | 174.7° | 179.7° |
| C10 | C9 | C8 | H5 | 70.5° | 0.1° |
| C9 | C10 | C11 | H20 | 5.3° | 0.3° |
| C10 | C9 | N5 | H35 | 50.0° | 61.1° |
| N1 | C7 | C2 | O1 | 2.6° | 0.1° |
| N1 | C7 | C2 | C6 | 174.8° | 179.9° |
| N1 | C7 | C2 | C3 | 167.5° | 179.8° |
| N1 | C7 | C6 | C5 | 176.6° | 180.0° |
| N1 | C7 | C6 | H4 | 3.4° | 0.1° |
| C7 | N1 | C8 | H5 | 139.3° | 21.5° |
| C1 | O1 | C2 | C7 | 125.4° | 90.0° |
| C1 | O1 | C2 | C3 | 38.4° | 89.8° |
| O1 | C1 | H16 | H17 | 120.0° | 120.0° |
| O1 | C1 | H16 | H18 | 120.0° | 120.0° |
| O1 | C1 | H17 | H18 | 120.0° | 119.9° |
| O1 | C2 | C7 | C3 | 164.9° | 179.8° |
| O1 | C2 | C7 | C6 | 172.2° | 180.0° |
| O1 | C2 | C3 | CL1 | 18.7° | 0.2° |
| O1 | C2 | C3 | C4 | 176.7° | 179.7° |
| C2 | O1 | C1 | H16 | 180.0° | 60.0° |
| C2 | O1 | C1 | H17 | 60.0° | 179.9° |
| C2 | O1 | C1 | H18 | 60.0° | 60.0° |
| C16 | C17 | C27 | C18 | 123.7° | 121.1° |
| C16 | C17 | C18 | C19 | 162.3° | 141.6° |
| C17 | C16 | C15 | C14 | 17.4° | 156.7° |
| C16 | C17 | C18 | H22 | 78.6° | 100.0° |
| C16 | C17 | C18 | H23 | 43.3° | 23.0° |
| C16 | C17 | C27 | H32 | 53.9° | 59.5° |
| C16 | C17 | C27 | H33 | 173.9° | 60.5° |
| C16 | C17 | C27 | H34 | 66.2° | 179.6° |
| C27 | C17 | C16 | C15 | 32.7° | 103.4° |
| C27 | C17 | C18 | C19 | 74.9° | 97.3° |
| C27 | C17 | C18 | H22 | 44.2° | 21.1° |
| C27 | C17 | C18 | H23 | 166.1° | 144.2° |
| C17 | C27 | H32 | H33 | 120.0° | 120.0° |
| C17 | C27 | H32 | H34 | 120.0° | 120.1° |
| C17 | C27 | H33 | H34 | 120.0° | 120.0° |
| C18 | C17 | C16 | C15 | 94.4° | 17.8° |
| C17 | C18 | C19 | H22 | 119.1° | 118.3° |
| C17 | C18 | C19 | H23 | 119.0° | 118.4° |
| C17 | C18 | H22 | H23 | 122.7° | 123.1° |
| C17 | C18 | C19 | H24 | 161.4° | 153.6° |
| C17 | C18 | C19 | H25 | 76.3° | 82.5° |
| C18 | C17 | C27 | H32 | 69.8° | 179.3° |
| C18 | C17 | C27 | H33 | 50.2° | 60.7° |
| C18 | C17 | C27 | H34 | 170.2° | 59.3° |
| C16 | C15 | C14 | C10 | 90.0° | 112.3° |
| C16 | C15 | C14 | C13 | 84.8° | 67.7° |
| C18 | C19 | C20 | H7 | 91.7° | 81.9° |
| C18 | C19 | C20 | H8 | 146.7° | 155.8° |
| C19 | C18 | H22 | H23 | 122.7° | 123.4° |
| C18 | C19 | H24 | H25 | 123.3° | 123.9° |
| C15 | C14 | C10 | C13 | 174.6° | 180.0° |
| C15 | C14 | C10 | C11 | 179.1° | 180.0° |
| C15 | C14 | C13 | N2 | 176.3° | 180.0° |
| C15 | C14 | C13 | H6 | 3.7° | 0.0° |
| C14 | C10 | C11 | C12 | 6.6° | 0.0° |
| C10 | C14 | C13 | N2 | 1.5° | 0.1° |
| C10 | C14 | C13 | H6 | 178.6° | 180.0° |
| C14 | C10 | C9 | H19 | 88.7° | 37.6° |
| C14 | C10 | C11 | H20 | 173.4° | 180.0° |
| C11 | C10 | C14 | C13 | 6.2° | 0.0° |
| C10 | C11 | C12 | H20 | 180.0° | 180.0° |
| C10 | C11 | C12 | N2 | 2.3° | 0.0° |
| C11 | C10 | C9 | H19 | 104.4° | 142.7° |
| C10 | C11 | C12 | H21 | 177.7° | 180.0° |
| C14 | C13 | N2 | H6 | 180.0° | 179.9° |
| C14 | C13 | N2 | C12 | 3.2° | 0.0° |
| C11 | C12 | N2 | C13 | 2.8° | 0.0° |
| C11 | C12 | N2 | H21 | 180.0° | 180.0° |
| C13 | N2 | C12 | H21 | 177.2° | 180.0° |
| C2 | C7 | C6 | C5 | 2.2° | 0.0° |
| C7 | C2 | C3 | CL1 | 178.0° | 180.0° |
| C7 | C2 | C3 | C4 | 13.4° | 0.5° |
| C2 | C7 | N1 | H1 | 57.2° | 2.9° |
| C2 | C7 | C6 | H4 | 177.8° | 180.0° |
| C6 | C7 | C2 | C3 | 7.3° | 0.2° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 5.9° | 0.0° |
| C6 | C7 | N1 | H1 | 117.4° | 177.1° |
| C7 | C6 | C5 | H3 | 174.1° | 180.0° |
| C12 | N2 | C13 | H6 | 176.8° | 180.0° |
| N2 | C12 | C11 | H20 | 177.7° | 180.0° |
| C2 | C3 | CL1 | C4 | 164.8° | 179.6° |
| C2 | C3 | C4 | C5 | 9.9° | 0.5° |
| C2 | C3 | C4 | H2 | 170.1° | 179.8° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| CL1 | C3 | C4 | C5 | 174.3° | 179.9° |
| CL1 | C3 | C4 | H2 | 5.7° | 0.3° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | H3 | 179.9° | 179.7° |
| C4 | C5 | C6 | H4 | 174.1° | 180.0° |
| H1 | N1 | C8 | H5 | 97.8° | 158.8° |
| H2 | C4 | C5 | H3 | 0.1° | 0.1° |
| H3 | C5 | C6 | H4 | 5.9° | 0.0° |
| H5 | C8 | C9 | H19 | 174.5° | 122.3° |
| H7 | C20 | C19 | H24 | 27.2° | 36.2° |
| H7 | C20 | C19 | H25 | 149.5° | 160.0° |
| H8 | C20 | C19 | H24 | 94.5° | 86.1° |
| H8 | C20 | C19 | H25 | 27.8° | 37.7° |
| H11 | C24 | C23 | H10 | 6.8° | 65.0° |
| H12 | C24 | C23 | H10 | 126.5° | 175.1° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H19 | C9 | N5 | H35 | 151.9° | 61.5° |
| H20 | C11 | C12 | H21 | 2.3° | 0.0° |
| H22 | C18 | C19 | H24 | 79.5° | 88.1° |
| H22 | C18 | C19 | H25 | 42.7° | 35.8° |
| H23 | C18 | C19 | H24 | 42.3° | 35.1° |
| H23 | C18 | C19 | H25 | 164.6° | 159.0° |
| H29 | C25 | H30 | H31 | 120.0° | 120.0° |
| H32 | C27 | H33 | H34 | 120.0° | 120.0° |
| H36 | N6 | C31 | H37 | 101.6° | 99.2° |
| H36 | N6 | C31 | H38 | 17.1° | 19.6° |
| H37 | C31 | C32 | H39 | 38.1° | 165.6° |
| H37 | C31 | C32 | H40 | 158.6° | 45.1° |
| H38 | C31 | C32 | H39 | 80.6° | 46.8° |
| H38 | C31 | C32 | H40 | 39.9° | 73.8° |
| H9 | C22 | C23 | H10 | 153.3° | 180.0° |
