A1B7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| CL1 | C24 | sing | 1.74Å | 1.73Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.37Å | 1.39Å | Aromatic |
| C27 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C27 | C22 | doub | 1.40Å | 1.44Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| S1 | C21 | sing | 1.71Å | 1.74Å | Aromatic |
| C22 | N5 | sing | 1.35Å | 1.41Å | Aromatic |
| N5 | C21 | doub | 1.28Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.42Å | |
| O5 | C20 | sing | 1.43Å | 1.25Å | |
| C20 | C14 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C14 | N3 | sing | 1.46Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C11 | C28 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.54Å | 1.51Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| N3 | C13 | sing | 1.35Å | 1.35Å | |
| C28 | C10 | sing | 1.53Å | 1.51Å | |
| C28 | C30 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | O3 | doub | 1.21Å | 1.24Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.54Å | 1.51Å | |
| C12 | N2 | sing | 1.48Å | 1.46Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C16 | C19 | sing | 1.51Å | 1.51Å | |
| C9 | N2 | sing | 1.48Å | 1.47Å | |
| C17 | C18 | sing | 1.54Å | 1.51Å | |
| N2 | C8 | sing | 1.35Å | 1.33Å | |
| O4 | C19 | doub | 1.21Å | 1.22Å | |
| C19 | N4 | sing | 1.34Å | 1.33Å | |
| C18 | N4 | sing | 1.47Å | 1.46Å | |
| C8 | O2 | doub | 1.21Å | 1.21Å | |
| C8 | C5 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| N1 | C6 | sing | 1.35Å | 1.32Å | |
| O1 | C6 | doub | 1.21Å | 1.21Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| F2 | C7 | sing | 1.40Å | 1.31Å | |
| C7 | F3 | sing | 1.40Å | 1.34Å | |
| C7 | F1 | sing | 1.40Å | 1.30Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| O5 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 119.7° | 120.0° |
| C25 | C26 | C27 | 118.5° | 120.1° |
| C26 | C25 | H28 | 120.1° | 120.0° |
| C25 | C26 | H29 | 120.7° | 119.9° |
| C25 | C24 | CL1 | 116.2° | 119.7° |
| C25 | C24 | C23 | 124.2° | 120.6° |
| C24 | C25 | H28 | 120.1° | 119.9° |
| CL1 | C24 | C23 | 119.7° | 119.7° |
| C26 | C27 | S1 | 125.6° | 131.6° |
| C26 | C27 | C22 | 121.2° | 120.4° |
| C27 | C26 | H29 | 120.7° | 120.0° |
| C24 | C23 | C22 | 116.3° | 120.3° |
| C24 | C23 | H27 | 121.8° | 119.8° |
| S1 | C27 | C22 | 113.2° | 108.0° |
| C27 | S1 | C21 | 89.5° | 90.8° |
| C27 | C22 | C23 | 120.0° | 118.5° |
| C27 | C22 | N5 | 108.7° | 111.8° |
| C23 | C22 | N5 | 131.2° | 129.6° |
| C22 | C23 | H27 | 121.9° | 119.9° |
| S1 | C21 | N5 | 113.2° | 111.6° |
| S1 | C21 | C20 | 134.0° | 124.3° |
| C22 | N5 | C21 | 115.3° | 117.8° |
| N5 | C21 | C20 | 112.8° | 124.2° |
| C21 | C20 | O5 | 121.6° | 109.4° |
| C21 | C20 | C14 | 110.8° | 109.5° |
| C21 | C20 | H36 | 101.0° | 109.5° |
| O5 | C20 | C14 | 116.4° | 109.5° |
| O5 | C20 | H36 | 102.4° | 109.5° |
| C20 | O5 | H37 | 109.5° | 114.0° |
| C20 | C14 | N3 | 110.9° | 109.5° |
| C20 | C14 | C15 | 112.8° | 109.4° |
| C20 | C14 | H4 | 106.4° | 109.5° |
| C14 | C20 | H36 | 100.1° | 109.5° |
| C29 | C28 | C11 | 114.7° | 117.4° |
| C29 | C28 | C10 | 119.9° | 117.4° |
| C29 | C28 | C30 | 112.5° | 115.5° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.4° |
| C28 | C29 | H32 | 109.5° | 109.5° |
| N3 | C14 | C15 | 112.9° | 109.5° |
| C14 | N3 | C13 | 123.7° | 120.0° |
| N3 | C14 | H4 | 107.2° | 109.5° |
| C14 | N3 | H15 | 118.1° | 120.0° |
| C14 | C15 | C16 | 109.0° | 109.4° |
| C15 | C14 | H4 | 106.2° | 109.5° |
| C14 | C15 | H19 | 109.6° | 109.6° |
| C14 | C15 | H20 | 109.6° | 109.5° |
| C28 | C11 | C10 | 59.9° | 59.7° |
| C28 | C11 | C12 | 117.9° | 118.1° |
| C11 | C28 | C10 | 59.8° | 60.5° |
| C11 | C28 | C30 | 122.4° | 117.5° |
| C28 | C11 | H6 | 118.8° | 119.5° |
| C10 | C11 | C12 | 108.7° | 105.0° |
| C11 | C10 | C28 | 60.3° | 59.7° |
| C11 | C10 | C9 | 107.4° | 105.0° |
| C10 | C11 | H6 | 118.9° | 121.8° |
| C11 | C10 | H9 | 118.9° | 121.8° |
| C11 | C12 | C13 | 111.5° | 110.4° |
| C11 | C12 | N2 | 104.5° | 104.6° |
| C12 | C11 | H6 | 118.5° | 118.2° |
| C11 | C12 | H10 | 109.7° | 110.4° |
| N3 | C13 | O3 | 124.8° | 120.0° |
| N3 | C13 | C12 | 116.2° | 120.0° |
| C13 | N3 | H15 | 118.2° | 120.0° |
| C10 | C28 | C30 | 118.2° | 117.5° |
| C28 | C10 | C9 | 118.0° | 118.1° |
| C28 | C10 | H9 | 118.9° | 120.3° |
| C28 | C30 | H33 | 109.5° | 109.5° |
| C28 | C30 | H34 | 109.4° | 109.5° |
| C28 | C30 | H35 | 109.4° | 109.5° |
| C15 | C16 | C17 | 119.4° | 110.5° |
| C15 | C16 | C19 | 112.3° | 110.5° |
| C16 | C15 | H19 | 109.6° | 109.4° |
| C16 | C15 | H20 | 109.6° | 109.4° |
| C15 | C16 | H21 | 106.5° | 110.4° |
| O3 | C13 | C12 | 119.0° | 120.0° |
| C13 | C12 | N2 | 110.7° | 110.4° |
| C13 | C12 | H10 | 109.8° | 110.4° |
| C10 | C9 | N2 | 105.7° | 104.6° |
| C10 | C9 | H7 | 110.4° | 110.4° |
| C10 | C9 | H8 | 110.4° | 110.5° |
| C9 | C10 | H9 | 118.8° | 117.6° |
| C12 | N2 | C9 | 113.2° | 104.4° |
| C12 | N2 | C8 | 118.2° | 127.8° |
| N2 | C12 | H10 | 110.7° | 110.4° |
| C17 | C16 | C19 | 104.6° | 104.2° |
| C16 | C17 | C18 | 105.2° | 101.7° |
| C17 | C16 | H21 | 106.5° | 110.5° |
| C16 | C17 | H22 | 110.5° | 111.0° |
| C16 | C17 | H23 | 110.5° | 111.0° |
| C16 | C19 | O4 | 124.0° | 125.0° |
| C16 | C19 | N4 | 108.6° | 110.1° |
| C19 | C16 | H21 | 106.7° | 110.6° |
| C9 | N2 | C8 | 128.6° | 127.8° |
| N2 | C9 | H7 | 110.4° | 110.4° |
| N2 | C9 | H8 | 110.4° | 110.4° |
| C17 | C18 | N4 | 103.7° | 105.5° |
| C18 | C17 | H22 | 110.5° | 110.9° |
| C18 | C17 | H23 | 110.5° | 110.9° |
| C17 | C18 | H24 | 110.9° | 110.3° |
| C17 | C18 | H25 | 110.9° | 110.2° |
| N2 | C8 | O2 | 122.1° | 120.0° |
| N2 | C8 | C5 | 117.4° | 120.0° |
| O4 | C19 | N4 | 127.4° | 124.9° |
| C19 | N4 | C18 | 114.3° | 111.3° |
| C19 | N4 | H26 | 122.8° | 124.4° |
| N4 | C18 | H24 | 110.9° | 110.2° |
| N4 | C18 | H25 | 110.9° | 110.3° |
| C18 | N4 | H26 | 122.9° | 124.3° |
| O2 | C8 | C5 | 120.5° | 120.0° |
| C8 | C5 | C2 | 114.9° | 109.5° |
| C8 | C5 | N1 | 106.6° | 109.4° |
| C8 | C5 | H5 | 106.9° | 109.5° |
| C1 | C2 | C5 | 108.4° | 109.5° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | C4 | 108.0° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C5 | N1 | 113.6° | 109.5° |
| C5 | C2 | C3 | 112.9° | 109.5° |
| C5 | C2 | C4 | 107.4° | 109.5° |
| C2 | C5 | H5 | 106.7° | 109.5° |
| C5 | N1 | C6 | 122.1° | 120.0° |
| N1 | C5 | H5 | 107.8° | 109.5° |
| C5 | N1 | H11 | 119.0° | 120.0° |
| C3 | C2 | C4 | 109.5° | 109.5° |
| C2 | C3 | H12 | 109.5° | 109.5° |
| C2 | C3 | H13 | 109.4° | 109.5° |
| C2 | C3 | H14 | 109.4° | 109.5° |
| C2 | C4 | H1 | 109.5° | 109.5° |
| C2 | C4 | H2 | 109.5° | 109.4° |
| C2 | C4 | H3 | 109.5° | 109.4° |
| N1 | C6 | O1 | 126.3° | 120.0° |
| N1 | C6 | C7 | 115.0° | 120.0° |
| C6 | N1 | H11 | 119.0° | 120.0° |
| O1 | C6 | C7 | 118.7° | 120.0° |
| C6 | C7 | F2 | 112.9° | 109.5° |
| C6 | C7 | F3 | 114.1° | 109.5° |
| C6 | C7 | F1 | 113.5° | 109.5° |
| F2 | C7 | F3 | 107.1° | 109.4° |
| F2 | C7 | F1 | 94.2° | 109.5° |
| F3 | C7 | F1 | 113.3° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 110.4° |
| H12 | C3 | H13 | 109.5° | 109.4° |
| H12 | C3 | H14 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.5° | 110.9° |
| H24 | C18 | H25 | 109.5° | 110.3° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H32 | 109.4° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.4° |
| H33 | C30 | H34 | 109.5° | 109.5° |
| H33 | C30 | H35 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H28 | 180.0° | 180.0° |
| C26 | C25 | C24 | CL1 | 179.5° | 180.0° |
| C25 | C26 | C27 | H29 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.9° | 0.0° |
| C25 | C26 | C27 | S1 | 178.0° | 179.6° |
| C25 | C26 | C27 | C22 | 0.4° | 0.1° |
| C25 | C24 | CL1 | C23 | 178.7° | 180.0° |
| C24 | C25 | C26 | C27 | 1.1° | 0.1° |
| C25 | C24 | C23 | C22 | 1.1° | 0.0° |
| C25 | C24 | C23 | H27 | 178.9° | 180.0° |
| C24 | C25 | C26 | H29 | 178.9° | 180.0° |
| CL1 | C24 | C23 | C22 | 179.7° | 180.0° |
| CL1 | C24 | C23 | H27 | 0.3° | 0.0° |
| CL1 | C24 | C25 | H28 | 0.5° | 0.0° |
| C26 | C27 | S1 | C22 | 177.7° | 179.8° |
| C26 | C27 | C22 | C23 | 1.2° | 0.1° |
| C26 | C27 | S1 | C21 | 179.1° | 179.9° |
| C26 | C27 | C22 | N5 | 179.1° | 180.0° |
| C27 | C26 | C25 | H28 | 178.9° | 180.0° |
| C24 | C23 | C22 | C27 | 0.4° | 0.0° |
| C24 | C23 | C22 | H27 | 180.0° | 180.0° |
| C24 | C23 | C22 | N5 | 179.9° | 179.9° |
| C23 | C24 | C25 | H28 | 178.1° | 180.0° |
| S1 | C27 | C22 | C23 | 179.0° | 179.7° |
| S1 | C27 | C22 | N5 | 1.3° | 0.2° |
| C27 | S1 | C21 | N5 | 1.2° | 0.4° |
| C27 | S1 | C21 | C20 | 177.3° | 179.9° |
| S1 | C27 | C26 | H29 | 2.0° | 0.3° |
| C27 | C22 | C23 | N5 | 179.7° | 179.9° |
| C22 | C27 | S1 | C21 | 1.4° | 0.3° |
| C27 | C22 | N5 | C21 | 0.3° | 0.1° |
| C27 | C22 | C23 | H27 | 179.6° | 180.0° |
| C22 | C27 | C26 | H29 | 179.6° | 179.9° |
| C23 | C22 | N5 | C21 | 179.9° | 180.0° |
| S1 | C21 | N5 | C22 | 0.7° | 0.3° |
| S1 | C21 | N5 | C20 | 178.8° | 179.7° |
| S1 | C21 | C20 | O5 | 113.6° | 45.3° |
| S1 | C21 | C20 | C14 | 103.9° | 74.7° |
| S1 | C21 | C20 | H36 | 1.5° | 165.3° |
| C22 | N5 | C21 | C20 | 178.1° | 180.0° |
| N5 | C22 | C23 | H27 | 0.1° | 0.1° |
| N5 | C21 | C20 | O5 | 64.9° | 135.0° |
| N5 | C21 | C20 | C14 | 77.6° | 105.0° |
| N5 | C21 | C20 | H36 | 177.1° | 15.0° |
| C21 | C20 | O5 | C14 | 140.5° | 120.0° |
| C21 | C20 | O5 | H36 | 111.4° | 120.0° |
| C21 | C20 | C14 | H36 | 105.9° | 120.0° |
| C21 | C20 | C14 | N3 | 48.7° | 175.0° |
| C21 | C20 | C14 | C15 | 176.4° | 65.0° |
| C21 | C20 | C14 | H4 | 67.5° | 55.0° |
| C21 | C20 | O5 | H37 | 180.0° | 60.0° |
| O5 | C20 | C14 | H36 | 109.5° | 120.0° |
| O5 | C20 | C14 | N3 | 166.7° | 65.0° |
| O5 | C20 | C14 | C15 | 39.0° | 55.0° |
| O5 | C20 | C14 | H4 | 77.1° | 175.0° |
| C20 | C14 | N3 | C15 | 127.7° | 119.9° |
| C20 | C14 | N3 | H4 | 115.7° | 120.0° |
| C20 | C14 | C15 | H4 | 116.1° | 120.0° |
| C20 | C14 | N3 | C13 | 114.6° | 131.8° |
| C20 | C14 | C15 | C16 | 165.1° | 179.7° |
| C20 | C14 | N3 | H15 | 65.4° | 48.2° |
| C20 | C14 | C15 | H19 | 75.0° | 60.3° |
| C20 | C14 | C15 | H20 | 45.2° | 59.7° |
| C14 | C20 | O5 | H37 | 39.5° | 59.9° |
| C29 | C28 | C11 | C10 | 111.5° | 107.6° |
| C29 | C28 | C11 | C30 | 142.3° | 144.7° |
| C29 | C28 | C11 | C12 | 152.0° | 160.8° |
| C29 | C28 | C10 | C30 | 144.1° | 144.7° |
| C29 | C28 | C10 | C9 | 162.2° | 160.8° |
| C29 | C28 | C11 | H6 | 2.9° | 4.1° |
| C29 | C28 | C10 | H9 | 5.8° | 3.9° |
| C28 | C29 | H30 | H31 | 120.0° | 120.0° |
| C28 | C29 | H30 | H32 | 120.0° | 120.0° |
| C28 | C29 | H31 | H32 | 120.0° | 120.0° |
| C29 | C28 | C30 | H33 | 180.0° | 154.7° |
| C29 | C28 | C30 | H34 | 60.0° | 34.6° |
| C29 | C28 | C30 | H35 | 60.0° | 85.4° |
| N3 | C14 | C15 | H4 | 117.2° | 120.0° |
| C14 | N3 | C13 | H15 | 180.0° | 180.0° |
| N3 | C14 | C15 | C16 | 68.2° | 60.3° |
| C14 | N3 | C13 | O3 | 1.8° | 3.5° |
| C14 | N3 | C13 | C12 | 179.5° | 176.6° |
| N3 | C14 | C15 | H19 | 51.7° | 59.7° |
| N3 | C14 | C15 | H20 | 172.0° | 179.7° |
| N3 | C14 | C20 | H36 | 57.3° | 55.0° |
| C15 | C14 | N3 | C13 | 117.7° | 108.2° |
| C14 | C15 | C16 | H19 | 119.9° | 120.1° |
| C14 | C15 | C16 | H20 | 119.9° | 120.0° |
| C14 | C15 | C16 | C17 | 62.3° | 162.0° |
| C14 | C15 | C16 | C19 | 174.7° | 83.2° |
| C15 | C14 | N3 | H15 | 62.3° | 71.7° |
| C14 | C15 | H19 | H20 | 120.3° | 120.1° |
| C14 | C15 | C16 | H21 | 58.2° | 39.5° |
| C15 | C14 | C20 | H36 | 70.5° | 175.0° |
| C28 | C11 | C10 | C12 | 112.0° | 114.1° |
| C28 | C11 | C10 | H6 | 108.3° | 108.0° |
| C28 | C11 | C12 | H6 | 155.0° | 157.0° |
| C11 | C28 | C10 | C30 | 113.1° | 107.7° |
| C28 | C11 | C12 | C13 | 178.9° | 158.3° |
| C28 | C11 | C10 | C9 | 112.8° | 114.1° |
| C28 | C11 | C12 | N2 | 61.5° | 39.5° |
| C28 | C11 | C10 | H9 | 108.7° | 108.9° |
| C28 | C11 | C12 | H10 | 57.1° | 79.3° |
| C11 | C28 | C29 | H30 | 180.0° | 60.0° |
| C11 | C28 | C29 | H31 | 60.0° | 179.9° |
| C11 | C28 | C29 | H32 | 60.0° | 60.0° |
| C11 | C28 | C30 | H33 | 37.0° | 60.0° |
| C11 | C28 | C30 | H34 | 157.0° | 180.0° |
| C11 | C28 | C30 | H35 | 83.0° | 60.0° |
| C10 | C11 | C12 | H6 | 139.9° | 139.7° |
| C10 | C11 | C12 | C13 | 115.9° | 94.9° |
| C11 | C10 | C9 | H9 | 138.5° | 139.1° |
| C10 | C11 | C12 | N2 | 3.6° | 23.8° |
| C11 | C10 | C9 | N2 | 4.8° | 23.8° |
| C11 | C10 | C9 | H7 | 114.5° | 94.9° |
| C11 | C10 | C9 | H8 | 124.2° | 142.7° |
| C10 | C11 | C12 | H10 | 122.2° | 142.7° |
| C11 | C12 | C13 | N3 | 100.9° | 80.0° |
| C12 | C11 | C28 | C30 | 9.7° | 16.1° |
| C11 | C12 | C13 | O3 | 78.0° | 99.9° |
| C11 | C12 | C13 | N2 | 115.8° | 115.2° |
| C11 | C12 | C13 | H10 | 121.7° | 122.4° |
| C12 | C11 | C10 | C9 | 0.8° | 0.0° |
| C11 | C12 | N2 | H10 | 117.9° | 118.8° |
| C11 | C12 | N2 | C9 | 7.0° | 39.6° |
| C11 | C12 | N2 | C8 | 173.1° | 140.4° |
| C12 | C11 | C10 | H9 | 139.3° | 136.9° |
| N3 | C13 | O3 | C12 | 178.8° | 179.9° |
| N3 | C13 | C12 | N2 | 143.3° | 164.8° |
| C13 | N3 | C14 | H4 | 1.1° | 11.8° |
| N3 | C13 | C12 | H10 | 20.8° | 42.4° |
| C28 | C10 | C9 | H9 | 156.4° | 157.6° |
| C28 | C10 | C9 | N2 | 60.3° | 39.5° |
| C28 | C10 | C9 | H7 | 179.6° | 158.2° |
| C28 | C10 | C9 | H8 | 59.1° | 79.4° |
| C10 | C28 | C29 | H30 | 112.0° | 129.3° |
| C10 | C28 | C29 | H31 | 8.0° | 110.7° |
| C10 | C28 | C29 | H32 | 128.0° | 9.2° |
| C10 | C28 | C30 | H33 | 33.4° | 9.3° |
| C10 | C28 | C30 | H34 | 86.6° | 110.8° |
| C10 | C28 | C30 | H35 | 153.4° | 129.2° |
| C30 | C28 | C10 | C9 | 18.1° | 16.1° |
| C30 | C28 | C11 | H6 | 145.2° | 140.6° |
| C30 | C28 | C10 | H9 | 138.2° | 140.9° |
| C30 | C28 | C29 | H30 | 33.9° | 85.3° |
| C30 | C28 | C29 | H31 | 154.0° | 34.7° |
| C30 | C28 | C29 | H32 | 86.0° | 154.6° |
| C28 | C30 | H33 | H34 | 120.0° | 120.0° |
| C28 | C30 | H33 | H35 | 120.0° | 120.0° |
| C28 | C30 | H34 | H35 | 120.0° | 120.0° |
| C15 | C16 | C17 | C19 | 126.7° | 118.7° |
| C15 | C16 | C17 | H21 | 120.5° | 122.5° |
| C15 | C16 | C19 | H21 | 116.4° | 122.6° |
| C15 | C16 | C17 | C18 | 142.2° | 143.5° |
| C15 | C16 | C19 | O4 | 44.6° | 45.1° |
| C15 | C16 | C19 | N4 | 137.0° | 134.9° |
| C16 | C15 | C14 | H4 | 49.0° | 59.7° |
| C16 | C15 | H19 | H20 | 120.2° | 119.9° |
| C15 | C16 | C17 | H22 | 22.9° | 25.4° |
| C15 | C16 | C17 | H23 | 98.5° | 98.4° |
| O3 | C13 | C12 | N2 | 37.8° | 15.3° |
| O3 | C13 | C12 | H10 | 160.3° | 137.7° |
| O3 | C13 | N3 | H15 | 178.2° | 176.5° |
| C13 | C12 | N2 | H10 | 122.0° | 122.4° |
| C13 | C12 | N2 | C9 | 113.0° | 79.2° |
| C13 | C12 | N2 | C8 | 66.8° | 100.8° |
| C13 | C12 | C11 | H6 | 23.9° | 44.7° |
| C12 | C13 | N3 | H15 | 0.5° | 3.4° |
| C10 | C9 | N2 | C12 | 7.6° | 39.6° |
| C10 | C9 | N2 | H7 | 119.4° | 118.8° |
| C10 | C9 | N2 | H8 | 119.4° | 118.9° |
| C10 | C9 | N2 | C8 | 172.6° | 140.4° |
| C9 | C10 | C11 | H6 | 138.9° | 137.8° |
| C10 | C9 | H7 | H8 | 121.7° | 122.5° |
| C12 | N2 | C9 | C8 | 179.8° | 179.9° |
| C12 | N2 | C8 | O2 | 4.9° | 5.6° |
| C12 | N2 | C8 | C5 | 176.0° | 174.4° |
| N2 | C12 | C11 | H6 | 143.5° | 163.5° |
| C12 | N2 | C9 | H7 | 111.8° | 79.2° |
| C12 | N2 | C9 | H8 | 127.0° | 158.5° |
| C17 | C16 | C19 | H21 | 112.6° | 118.7° |
| C16 | C17 | C18 | H22 | 119.3° | 118.1° |
| C16 | C17 | C18 | H23 | 119.3° | 118.1° |
| C17 | C16 | C19 | O4 | 175.5° | 163.8° |
| C17 | C16 | C19 | N4 | 6.0° | 16.2° |
| C16 | C17 | C18 | N4 | 18.8° | 25.4° |
| C17 | C16 | C15 | H19 | 177.7° | 78.0° |
| C17 | C16 | C15 | H20 | 57.6° | 42.0° |
| C16 | C17 | H22 | H23 | 122.0° | 123.9° |
| C16 | C17 | C18 | H24 | 137.9° | 144.4° |
| C16 | C17 | C18 | H25 | 100.2° | 93.6° |
| C19 | C16 | C17 | C18 | 15.5° | 24.8° |
| C16 | C19 | O4 | N4 | 178.2° | 180.0° |
| C16 | C19 | N4 | C18 | 6.7° | 0.4° |
| C19 | C16 | C15 | H19 | 54.7° | 36.8° |
| C19 | C16 | C15 | H20 | 65.4° | 156.8° |
| C19 | C16 | C17 | H22 | 103.8° | 93.3° |
| C19 | C16 | C17 | H23 | 134.8° | 142.9° |
| C16 | C19 | N4 | H26 | 173.3° | 179.6° |
| C9 | N2 | C8 | O2 | 175.3° | 174.5° |
| C9 | N2 | C8 | C5 | 3.9° | 5.5° |
| N2 | C9 | H7 | H8 | 121.8° | 122.3° |
| N2 | C9 | C10 | H9 | 143.4° | 162.9° |
| C9 | N2 | C12 | H10 | 125.0° | 158.4° |
| C17 | C18 | N4 | C19 | 16.6° | 17.0° |
| C17 | C18 | N4 | H24 | 119.0° | 119.0° |
| C17 | C18 | N4 | H25 | 119.1° | 119.0° |
| C18 | C17 | C16 | H21 | 97.3° | 94.0° |
| C18 | C17 | H22 | H23 | 122.0° | 123.8° |
| C17 | C18 | H24 | H25 | 122.7° | 122.0° |
| C17 | C18 | N4 | H26 | 163.5° | 163.0° |
| N2 | C8 | O2 | C5 | 179.1° | 180.0° |
| N2 | C8 | C5 | C2 | 115.3° | 91.4° |
| N2 | C8 | C5 | N1 | 117.9° | 148.6° |
| N2 | C8 | C5 | H5 | 2.8° | 28.6° |
| C8 | N2 | C9 | H7 | 68.1° | 100.9° |
| C8 | N2 | C9 | H8 | 53.2° | 21.5° |
| C8 | N2 | C12 | H10 | 55.2° | 21.6° |
| O4 | C19 | N4 | C18 | 171.7° | 179.5° |
| O4 | C19 | C16 | H21 | 71.8° | 77.5° |
| O4 | C19 | N4 | H26 | 8.3° | 0.4° |
| C19 | N4 | C18 | H26 | 180.0° | 180.0° |
| N4 | C19 | C16 | H21 | 106.6° | 102.5° |
| C19 | N4 | C18 | H24 | 135.6° | 136.0° |
| C19 | N4 | C18 | H25 | 102.5° | 102.0° |
| N4 | C18 | C17 | H22 | 100.5° | 92.7° |
| N4 | C18 | C17 | H23 | 138.2° | 143.6° |
| N4 | C18 | H24 | H25 | 122.7° | 122.0° |
| O2 | C8 | C5 | C2 | 65.6° | 88.5° |
| O2 | C8 | C5 | N1 | 61.2° | 31.5° |
| O2 | C8 | C5 | H5 | 176.3° | 151.4° |
| C8 | C5 | C2 | C1 | 63.0° | 59.4° |
| C8 | C5 | C2 | N1 | 123.2° | 120.0° |
| C8 | C5 | C2 | H5 | 118.2° | 120.0° |
| C8 | C5 | N1 | H5 | 114.5° | 120.0° |
| C8 | C5 | C2 | C3 | 59.8° | 60.6° |
| C8 | C5 | C2 | C4 | 179.4° | 179.3° |
| C8 | C5 | N1 | C6 | 116.5° | 155.0° |
| C8 | C5 | N1 | H11 | 63.5° | 25.0° |
| C1 | C2 | C5 | C3 | 122.7° | 120.0° |
| C1 | C2 | C5 | C4 | 116.5° | 120.0° |
| C1 | C2 | C5 | N1 | 173.9° | 60.6° |
| C1 | C2 | C3 | C4 | 118.8° | 120.0° |
| C1 | C2 | C4 | H1 | 180.0° | 60.0° |
| C1 | C2 | C4 | H2 | 60.0° | 60.0° |
| C1 | C2 | C4 | H3 | 60.0° | 180.0° |
| C1 | C2 | C5 | H5 | 55.3° | 179.4° |
| C1 | C2 | C3 | H12 | 180.0° | 178.1° |
| C1 | C2 | C3 | H13 | 60.0° | 58.1° |
| C1 | C2 | C3 | H14 | 60.0° | 61.9° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C2 | C5 | N1 | H5 | 117.9° | 120.0° |
| C5 | C2 | C3 | C4 | 119.6° | 120.0° |
| C2 | C5 | N1 | C6 | 115.9° | 85.0° |
| C5 | C2 | C4 | H1 | 63.2° | 60.0° |
| C5 | C2 | C4 | H2 | 176.8° | 180.0° |
| C5 | C2 | C4 | H3 | 56.8° | 60.1° |
| C2 | C5 | N1 | H11 | 64.1° | 95.0° |
| C5 | C2 | C3 | H12 | 58.4° | 61.9° |
| C5 | C2 | C3 | H13 | 61.6° | 178.1° |
| C5 | C2 | C3 | H14 | 178.4° | 58.1° |
| C5 | C2 | C1 | H16 | 180.0° | 60.0° |
| C5 | C2 | C1 | H17 | 60.0° | 180.0° |
| C5 | C2 | C1 | H18 | 60.0° | 60.0° |
| N1 | C5 | C2 | C3 | 63.4° | 179.4° |
| N1 | C5 | C2 | C4 | 57.4° | 59.4° |
| C5 | N1 | C6 | H11 | 180.0° | 179.9° |
| C5 | N1 | C6 | O1 | 7.6° | 0.1° |
| C5 | N1 | C6 | C7 | 173.3° | 180.0° |
| C3 | C2 | C4 | H1 | 59.7° | 180.0° |
| C3 | C2 | C4 | H2 | 60.3° | 60.0° |
| C3 | C2 | C4 | H3 | 179.7° | 60.0° |
| C3 | C2 | C5 | H5 | 178.0° | 59.4° |
| C2 | C3 | H12 | H13 | 120.0° | 120.0° |
| C2 | C3 | H12 | H14 | 120.0° | 120.0° |
| C2 | C3 | H13 | H14 | 120.0° | 120.0° |
| C3 | C2 | C1 | H16 | 55.7° | 60.0° |
| C3 | C2 | C1 | H17 | 64.2° | 60.0° |
| C3 | C2 | C1 | H18 | 175.8° | 180.0° |
| C2 | C4 | H1 | H2 | 120.0° | 120.0° |
| C2 | C4 | H1 | H3 | 120.0° | 120.0° |
| C2 | C4 | H2 | H3 | 120.0° | 119.9° |
| C4 | C2 | C5 | H5 | 61.2° | 60.7° |
| C4 | C2 | C3 | H12 | 61.2° | 58.1° |
| C4 | C2 | C3 | H13 | 178.8° | 61.9° |
| C4 | C2 | C3 | H14 | 58.8° | 178.1° |
| C4 | C2 | C1 | H16 | 64.0° | 180.0° |
| C4 | C2 | C1 | H17 | 176.1° | 60.0° |
| C4 | C2 | C1 | H18 | 56.1° | 60.0° |
| N1 | C6 | O1 | C7 | 179.1° | 180.0° |
| N1 | C6 | C7 | F2 | 33.5° | 60.1° |
| N1 | C6 | C7 | F3 | 156.1° | 180.0° |
| N1 | C6 | C7 | F1 | 72.2° | 60.0° |
| C6 | N1 | C5 | H5 | 2.0° | 35.1° |
| O1 | C6 | C7 | F2 | 147.3° | 120.0° |
| O1 | C6 | C7 | F3 | 24.8° | 0.0° |
| O1 | C6 | C7 | F1 | 107.0° | 120.0° |
| O1 | C6 | N1 | H11 | 172.5° | 180.0° |
| C6 | C7 | F2 | F3 | 126.4° | 120.0° |
| C6 | C7 | F2 | F1 | 117.7° | 120.0° |
| C6 | C7 | F3 | F1 | 131.9° | 120.0° |
| C7 | C6 | N1 | H11 | 6.6° | 0.1° |
| F2 | C7 | F3 | F1 | 102.4° | 120.0° |
| H1 | C4 | H2 | H3 | 120.0° | 120.1° |
| H4 | C14 | N3 | H15 | 178.9° | 168.2° |
| H4 | C14 | C15 | H19 | 168.9° | 179.7° |
| H4 | C14 | C15 | H20 | 70.9° | 60.2° |
| H4 | C14 | C20 | H36 | 173.5° | 65.0° |
| H5 | C5 | N1 | H11 | 177.9° | 145.0° |
| H6 | C11 | C10 | H9 | 0.4° | 0.9° |
| H6 | C11 | C12 | H10 | 97.9° | 77.7° |
| H7 | C9 | C10 | H9 | 24.0° | 44.2° |
| H8 | C9 | C10 | H9 | 97.2° | 78.2° |
| H12 | C3 | H13 | H14 | 120.0° | 120.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 61.8° | 159.5° |
| H20 | C15 | C16 | H21 | 178.1° | 80.6° |
| H21 | C16 | C17 | H22 | 143.4° | 147.9° |
| H21 | C16 | C17 | H23 | 22.0° | 24.1° |
| H22 | C17 | C18 | H24 | 18.6° | 26.3° |
| H22 | C17 | C18 | H25 | 140.5° | 148.3° |
| H23 | C17 | C18 | H24 | 102.7° | 97.5° |
| H23 | C17 | C18 | H25 | 19.1° | 24.5° |
| H24 | C18 | N4 | H26 | 44.4° | 44.0° |
| H25 | C18 | N4 | H26 | 77.5° | 78.0° |
| H28 | C25 | C26 | H29 | 1.1° | 0.0° |
| H30 | C29 | H31 | H32 | 120.0° | 120.0° |
| H33 | C30 | H34 | H35 | 120.0° | 120.0° |
| H36 | C20 | O5 | H37 | 68.6° | 179.9° |
