6A8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.37Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C22 | sing | 1.48Å | 1.51Å | |
| C25 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| O24 | C22 | doub | 1.22Å | 1.24Å | |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| N38 | C37 | sing | 1.47Å | 1.50Å | |
| C37 | C34 | sing | 1.51Å | 1.55Å | |
| C35 | C34 | doub | 1.38Å | 1.44Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | N21 | sing | 1.35Å | 1.32Å | |
| C34 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| N21 | C18 | sing | 1.47Å | 1.41Å | |
| C33 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C20 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| N16 | C14 | doub | 1.30Å | 1.27Å | |
| N15 | C14 | sing | 1.37Å | 1.37Å | |
| C14 | N13 | sing | 1.37Å | 1.33Å | |
| C17 | N2 | sing | 1.35Å | 1.34Å | |
| C17 | O19 | doub | 1.21Å | 1.24Å | |
| N2 | C1 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C3 | sing | 1.53Å | 1.59Å | |
| N13 | C12 | sing | 1.47Å | 1.51Å | |
| C3 | C1 | sing | 1.53Å | 1.57Å | |
| C1 | B4 | sing | 1.57Å | 1.61Å | |
| B4 | O1 | sing | 1.43Å | 1.49Å | |
| B4 | O3 | sing | 1.43Å | 1.46Å | |
| O1 | C4 | sing | 1.44Å | 1.40Å | |
| O2 | C6 | sing | 1.43Å | 1.45Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C2 | sing | 1.55Å | 1.54Å | |
| O3 | C2 | sing | 1.44Å | 1.52Å | |
| C30 | H1 | sing | 1.08Å | 1.08Å | |
| C29 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| N21 | H6 | sing | 0.97Å | 1.00Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.08Å | 1.08Å | |
| C35 | H11 | sing | 1.08Å | 1.08Å | |
| C37 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| N38 | H14 | sing | 1.01Å | 1.00Å | |
| N38 | H15 | sing | 1.01Å | 1.00Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| N13 | H30 | sing | 0.97Å | 1.00Å | |
| N15 | H31 | sing | 0.97Å | 1.00Å | |
| N15 | H32 | sing | 0.97Å | 1.00Å | |
| N16 | H33 | sing | 0.97Å | 1.00Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| O2 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 120.3° | 120.2° |
| C27 | C26 | C25 | 119.6° | 119.8° |
| C26 | C27 | H4 | 119.8° | 119.9° |
| C27 | C26 | H5 | 120.2° | 120.1° |
| C27 | C28 | C29 | 122.5° | 120.2° |
| C27 | C28 | H3 | 118.8° | 119.9° |
| C28 | C27 | H4 | 119.8° | 119.9° |
| C26 | C25 | C22 | 119.4° | 120.1° |
| C26 | C25 | C30 | 120.0° | 119.7° |
| C25 | C26 | H5 | 120.2° | 120.1° |
| C28 | C29 | C30 | 116.9° | 120.2° |
| C28 | C29 | H2 | 121.6° | 119.9° |
| C29 | C28 | H3 | 118.7° | 119.9° |
| C22 | C25 | C30 | 120.5° | 120.1° |
| C25 | C22 | O24 | 121.5° | 120.0° |
| C25 | C22 | N21 | 120.6° | 120.0° |
| C25 | C30 | C29 | 120.3° | 119.8° |
| C25 | C30 | H1 | 119.9° | 120.1° |
| O24 | C22 | N21 | 117.7° | 120.0° |
| C29 | C30 | H1 | 119.9° | 120.1° |
| C30 | C29 | H2 | 121.5° | 119.9° |
| N38 | C37 | C34 | 110.4° | 109.5° |
| N38 | C37 | H12 | 109.2° | 109.5° |
| N38 | C37 | H13 | 109.2° | 109.4° |
| C37 | N38 | H14 | 109.5° | 111.0° |
| C37 | N38 | H15 | 109.5° | 111.1° |
| C37 | C34 | C35 | 117.9° | 120.1° |
| C37 | C34 | C33 | 125.0° | 120.0° |
| C34 | C37 | H12 | 109.2° | 109.5° |
| C34 | C37 | H13 | 109.2° | 109.5° |
| C34 | C35 | C36 | 118.5° | 120.0° |
| C35 | C34 | C33 | 117.1° | 120.0° |
| C34 | C35 | H11 | 120.8° | 120.0° |
| C35 | C36 | C31 | 124.1° | 120.0° |
| C35 | C36 | H10 | 118.0° | 120.0° |
| C36 | C35 | H11 | 120.8° | 120.0° |
| C22 | N21 | C18 | 130.2° | 120.0° |
| C22 | N21 | H6 | 114.9° | 120.0° |
| C34 | C33 | C32 | 121.5° | 120.0° |
| C34 | C33 | H17 | 119.3° | 120.0° |
| C36 | C31 | C32 | 115.9° | 120.0° |
| C36 | C31 | C20 | 125.7° | 120.0° |
| C31 | C36 | H10 | 117.9° | 120.0° |
| N21 | C18 | C20 | 111.5° | 109.4° |
| N21 | C18 | C17 | 109.9° | 109.5° |
| C18 | N21 | H6 | 114.9° | 120.0° |
| N21 | C18 | H7 | 110.3° | 109.4° |
| C33 | C32 | C31 | 122.7° | 120.0° |
| C32 | C33 | H17 | 119.2° | 120.0° |
| C33 | C32 | H18 | 118.7° | 120.0° |
| C32 | C31 | C20 | 118.3° | 120.0° |
| C31 | C32 | H18 | 118.6° | 120.0° |
| C31 | C20 | C18 | 117.4° | 109.4° |
| C31 | C20 | H8 | 107.4° | 109.5° |
| C31 | C20 | H9 | 107.4° | 109.4° |
| C20 | C18 | C17 | 107.8° | 109.4° |
| C20 | C18 | H7 | 108.6° | 109.5° |
| C18 | C20 | H8 | 107.4° | 109.5° |
| C18 | C20 | H9 | 107.4° | 109.4° |
| C18 | C17 | N2 | 115.7° | 120.0° |
| C18 | C17 | O19 | 123.6° | 120.0° |
| C17 | C18 | H7 | 108.7° | 109.5° |
| N16 | C14 | N15 | 120.2° | 120.0° |
| N16 | C14 | N13 | 122.3° | 120.0° |
| C14 | N16 | H33 | 112.0° | 120.1° |
| N15 | C14 | N13 | 116.7° | 120.0° |
| C14 | N15 | H31 | 120.0° | 120.0° |
| C14 | N15 | H32 | 120.0° | 120.0° |
| C14 | N13 | C12 | 129.3° | 120.0° |
| C14 | N13 | H30 | 115.4° | 120.0° |
| N2 | C17 | O19 | 120.6° | 120.0° |
| C17 | N2 | C1 | 124.4° | 120.0° |
| C17 | N2 | H19 | 117.8° | 120.0° |
| N2 | C1 | C3 | 103.4° | 109.4° |
| N2 | C1 | B4 | 105.0° | 109.5° |
| C1 | N2 | H19 | 117.8° | 120.0° |
| N2 | C1 | H20 | 111.7° | 109.4° |
| C12 | C11 | C3 | 107.6° | 109.5° |
| C11 | C12 | N13 | 108.1° | 109.5° |
| C12 | C11 | H26 | 109.9° | 109.4° |
| C12 | C11 | H27 | 109.9° | 109.4° |
| C11 | C12 | H28 | 109.8° | 109.4° |
| C11 | C12 | H29 | 109.8° | 109.4° |
| C11 | C3 | C1 | 115.8° | 109.4° |
| C11 | C3 | H24 | 107.8° | 109.4° |
| C11 | C3 | H25 | 107.9° | 109.5° |
| C3 | C11 | H26 | 109.9° | 109.5° |
| C3 | C11 | H27 | 109.9° | 109.5° |
| N13 | C12 | H28 | 109.8° | 109.5° |
| N13 | C12 | H29 | 109.8° | 109.5° |
| C12 | N13 | H30 | 115.4° | 120.0° |
| C3 | C1 | B4 | 116.2° | 109.5° |
| C3 | C1 | H20 | 110.4° | 109.5° |
| C1 | C3 | H24 | 107.9° | 109.5° |
| C1 | C3 | H25 | 107.9° | 109.5° |
| C1 | B4 | O1 | 117.9° | 126.8° |
| C1 | B4 | O3 | 120.3° | 126.8° |
| B4 | C1 | H20 | 109.9° | 109.5° |
| O1 | B4 | O3 | 102.3° | 106.4° |
| B4 | O1 | C4 | 114.7° | 107.2° |
| B4 | O3 | C2 | 112.3° | 103.5° |
| O1 | C4 | C6 | 98.4° | 110.4° |
| O1 | C4 | C2 | 106.4° | 104.8° |
| O1 | C4 | H21 | 115.2° | 110.4° |
| O2 | C6 | C4 | 106.9° | 109.4° |
| O2 | C6 | H34 | 110.1° | 109.5° |
| O2 | C6 | H35 | 110.1° | 109.5° |
| C6 | O2 | H36 | 109.5° | 114.0° |
| C6 | C4 | C2 | 110.5° | 110.4° |
| C6 | C4 | H21 | 112.7° | 110.3° |
| C4 | C6 | H34 | 110.1° | 109.4° |
| C4 | C6 | H35 | 110.1° | 109.5° |
| C4 | C2 | O3 | 102.7° | 102.8° |
| C2 | C4 | H21 | 112.6° | 110.5° |
| C4 | C2 | H22 | 111.1° | 110.7° |
| C4 | C2 | H23 | 111.1° | 110.8° |
| O3 | C2 | H22 | 111.1° | 110.9° |
| O3 | C2 | H23 | 111.1° | 110.8° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H12 | C37 | H13 | 109.5° | 109.5° |
| H14 | N38 | H15 | 109.5° | 111.0° |
| H22 | C2 | H23 | 109.5° | 110.7° |
| H24 | C3 | H25 | 109.5° | 109.5° |
| H26 | C11 | H27 | 109.5° | 109.5° |
| H28 | C12 | H29 | 109.5° | 109.5° |
| H31 | N15 | H32 | 120.0° | 120.0° |
| H34 | C6 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H4 | 180.0° | 179.4° |
| C27 | C26 | C25 | H5 | 180.0° | 179.4° |
| C26 | C27 | C28 | C29 | 3.9° | 0.3° |
| C27 | C26 | C25 | C22 | 179.2° | 179.7° |
| C27 | C26 | C25 | C30 | 4.5° | 0.6° |
| C26 | C27 | C28 | H3 | 176.1° | 179.7° |
| C28 | C27 | C26 | C25 | 0.5° | 0.6° |
| C27 | C28 | C29 | H3 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 2.1° | 0.0° |
| C27 | C28 | C29 | H2 | 177.9° | 180.0° |
| C28 | C27 | C26 | H5 | 179.6° | 180.0° |
| C26 | C25 | C22 | C30 | 176.4° | 179.6° |
| C26 | C25 | C22 | O24 | 34.9° | 179.7° |
| C26 | C25 | C30 | C29 | 6.2° | 0.3° |
| C26 | C25 | C22 | N21 | 140.4° | 0.1° |
| C26 | C25 | C30 | H1 | 173.8° | 179.7° |
| C25 | C26 | C27 | H4 | 179.5° | 180.0° |
| C28 | C29 | C30 | C25 | 2.9° | 0.0° |
| C28 | C29 | C30 | H2 | 180.0° | 179.9° |
| C28 | C29 | C30 | H1 | 177.1° | 180.0° |
| C29 | C28 | C27 | H4 | 176.1° | 179.7° |
| C25 | C22 | O24 | N21 | 175.4° | 179.8° |
| C22 | C25 | C30 | C29 | 177.5° | 179.9° |
| C25 | C22 | N21 | C18 | 177.1° | 179.8° |
| C22 | C25 | C30 | H1 | 2.6° | 0.0° |
| C22 | C25 | C26 | H5 | 0.9° | 0.3° |
| C25 | C22 | N21 | H6 | 2.9° | 0.2° |
| C30 | C25 | C22 | O24 | 141.5° | 0.1° |
| C25 | C30 | C29 | H1 | 180.0° | 180.0° |
| C30 | C25 | C22 | N21 | 43.2° | 179.7° |
| C25 | C30 | C29 | H2 | 177.1° | 180.0° |
| C30 | C25 | C26 | H5 | 175.5° | 180.0° |
| O24 | C22 | N21 | C18 | 7.4° | 0.0° |
| O24 | C22 | N21 | H6 | 172.6° | 180.0° |
| C30 | C29 | C28 | H3 | 177.9° | 180.0° |
| N38 | C37 | C34 | H12 | 120.1° | 120.0° |
| N38 | C37 | C34 | H13 | 120.1° | 119.9° |
| N38 | C37 | C34 | C35 | 116.9° | 89.9° |
| N38 | C37 | C34 | C33 | 63.2° | 90.0° |
| N38 | C37 | H12 | H13 | 119.6° | 120.0° |
| C37 | N38 | H14 | H15 | 120.0° | 124.1° |
| C37 | C34 | C35 | C33 | 179.9° | 179.9° |
| C37 | C34 | C35 | C36 | 175.0° | 180.0° |
| C37 | C34 | C33 | C32 | 174.5° | 180.0° |
| C37 | C34 | C35 | H11 | 5.0° | 0.0° |
| C34 | C37 | H12 | H13 | 119.6° | 120.0° |
| C34 | C37 | N38 | H14 | 180.0° | 180.0° |
| C34 | C37 | N38 | H15 | 60.0° | 56.0° |
| C37 | C34 | C33 | H17 | 5.5° | 0.0° |
| C34 | C35 | C36 | H11 | 180.0° | 180.0° |
| C34 | C35 | C36 | C31 | 2.7° | 0.0° |
| C35 | C34 | C33 | C32 | 5.4° | 0.1° |
| C34 | C35 | C36 | H10 | 177.3° | 180.0° |
| C35 | C34 | C37 | H12 | 3.3° | 150.0° |
| C35 | C34 | C37 | H13 | 123.0° | 30.0° |
| C35 | C34 | C33 | H17 | 174.6° | 179.9° |
| C36 | C35 | C34 | C33 | 4.9° | 0.1° |
| C35 | C36 | C31 | H10 | 180.0° | 180.0° |
| C35 | C36 | C31 | C32 | 0.7° | 0.0° |
| C35 | C36 | C31 | C20 | 178.8° | 179.8° |
| C22 | N21 | C18 | H6 | 180.0° | 180.0° |
| C22 | N21 | C18 | C20 | 130.8° | 60.0° |
| C22 | N21 | C18 | C17 | 109.6° | 60.0° |
| C22 | N21 | C18 | H7 | 10.2° | 180.0° |
| C34 | C33 | C32 | H17 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 3.6° | 0.1° |
| C33 | C34 | C35 | H11 | 175.0° | 179.9° |
| C33 | C34 | C37 | H12 | 176.6° | 30.0° |
| C33 | C34 | C37 | H13 | 56.9° | 150.1° |
| C34 | C33 | C32 | H18 | 176.4° | 179.8° |
| C36 | C31 | C32 | C33 | 1.0° | 0.0° |
| C36 | C31 | C32 | C20 | 178.3° | 179.8° |
| C36 | C31 | C20 | C18 | 0.9° | 89.7° |
| C36 | C31 | C20 | H8 | 120.2° | 150.2° |
| C36 | C31 | C20 | H9 | 122.0° | 30.2° |
| C31 | C36 | C35 | H11 | 177.3° | 180.0° |
| C36 | C31 | C32 | H18 | 179.0° | 179.8° |
| N21 | C18 | C20 | C31 | 72.8° | 65.0° |
| N21 | C18 | C20 | C17 | 120.7° | 120.0° |
| N21 | C18 | C20 | H7 | 121.7° | 120.0° |
| N21 | C18 | C17 | H7 | 120.7° | 120.0° |
| N21 | C18 | C17 | N2 | 147.7° | 160.0° |
| N21 | C18 | C17 | O19 | 37.4° | 19.9° |
| N21 | C18 | C20 | H8 | 166.0° | 55.0° |
| N21 | C18 | C20 | H9 | 48.3° | 175.1° |
| C33 | C32 | C31 | H18 | 180.0° | 179.7° |
| C33 | C32 | C31 | C20 | 179.3° | 179.7° |
| C32 | C31 | C20 | C18 | 179.1° | 90.1° |
| C32 | C31 | C20 | H8 | 57.9° | 30.0° |
| C32 | C31 | C20 | H9 | 59.8° | 150.0° |
| C32 | C31 | C36 | H10 | 179.4° | 180.0° |
| C31 | C32 | C33 | H17 | 176.4° | 179.9° |
| C31 | C20 | C18 | H8 | 121.1° | 120.0° |
| C31 | C20 | C18 | H9 | 121.1° | 119.9° |
| C31 | C20 | C18 | C17 | 166.5° | 175.0° |
| C31 | C20 | C18 | H7 | 48.8° | 54.9° |
| C31 | C20 | H8 | H9 | 116.4° | 120.0° |
| C20 | C31 | C36 | H10 | 1.2° | 0.2° |
| C20 | C31 | C32 | H18 | 0.7° | 0.0° |
| C20 | C18 | C17 | H7 | 117.5° | 120.1° |
| C20 | C18 | C17 | N2 | 90.6° | 80.1° |
| C20 | C18 | C17 | O19 | 84.3° | 100.0° |
| C20 | C18 | N21 | H6 | 49.2° | 120.1° |
| C18 | C20 | H8 | H9 | 116.4° | 120.0° |
| C18 | C17 | N2 | O19 | 175.1° | 179.9° |
| C18 | C17 | N2 | C1 | 158.4° | 180.0° |
| C17 | C18 | N21 | H6 | 70.4° | 120.0° |
| C17 | C18 | C20 | H8 | 45.3° | 65.0° |
| C17 | C18 | C20 | H9 | 72.4° | 55.1° |
| C18 | C17 | N2 | H19 | 21.6° | 0.0° |
| N16 | C14 | N15 | N13 | 169.8° | 179.9° |
| N16 | C14 | N13 | C12 | 170.5° | 0.1° |
| N16 | C14 | N13 | H30 | 9.5° | 180.0° |
| N16 | C14 | N15 | H31 | 169.9° | 180.0° |
| N16 | C14 | N15 | H32 | 10.1° | 0.0° |
| N15 | C14 | N13 | C12 | 0.8° | 180.0° |
| N15 | C14 | N13 | H30 | 179.1° | 0.1° |
| C14 | N15 | H31 | H32 | 180.0° | 180.0° |
| N15 | C14 | N16 | H33 | 169.3° | 180.0° |
| C14 | N13 | C12 | C11 | 97.6° | 180.0° |
| C14 | N13 | C12 | H30 | 180.0° | 179.9° |
| C14 | N13 | C12 | H28 | 142.6° | 60.1° |
| C14 | N13 | C12 | H29 | 22.2° | 60.0° |
| N13 | C14 | N15 | H31 | 0.0° | 0.1° |
| N13 | C14 | N15 | H32 | 180.0° | 180.0° |
| N13 | C14 | N16 | H33 | 0.0° | 0.0° |
| C17 | N2 | C1 | H19 | 180.0° | 180.0° |
| C17 | N2 | C1 | C3 | 117.2° | 135.0° |
| C17 | N2 | C1 | B4 | 120.5° | 105.0° |
| N2 | C17 | C18 | H7 | 27.0° | 40.0° |
| C17 | N2 | C1 | H20 | 1.5° | 15.1° |
| O19 | C17 | N2 | C1 | 16.7° | 0.1° |
| O19 | C17 | C18 | H7 | 158.1° | 139.9° |
| O19 | C17 | N2 | H19 | 163.3° | 179.9° |
| N2 | C1 | C3 | C11 | 57.6° | 180.0° |
| N2 | C1 | C3 | B4 | 114.5° | 120.0° |
| N2 | C1 | C3 | H20 | 119.6° | 119.9° |
| N2 | C1 | B4 | H20 | 120.2° | 120.0° |
| N2 | C1 | B4 | O1 | 47.7° | 60.0° |
| N2 | C1 | B4 | O3 | 173.7° | 120.3° |
| N2 | C1 | C3 | H24 | 178.5° | 60.0° |
| N2 | C1 | C3 | H25 | 63.4° | 60.0° |
| C12 | C11 | C3 | H26 | 119.7° | 119.9° |
| C12 | C11 | C3 | H27 | 119.7° | 120.0° |
| C11 | C12 | N13 | H28 | 119.8° | 119.9° |
| C11 | C12 | N13 | H29 | 119.8° | 120.0° |
| C12 | C11 | C3 | C1 | 66.5° | 180.0° |
| C12 | C11 | C3 | H24 | 54.4° | 60.0° |
| C12 | C11 | C3 | H25 | 172.5° | 60.0° |
| C12 | C11 | H26 | H27 | 120.8° | 120.0° |
| C11 | C12 | H28 | H29 | 120.6° | 120.0° |
| C11 | C12 | N13 | H30 | 82.4° | 0.1° |
| C3 | C11 | C12 | N13 | 176.5° | 180.0° |
| C11 | C3 | C1 | H24 | 120.9° | 119.9° |
| C11 | C3 | C1 | H25 | 120.9° | 120.0° |
| C11 | C3 | C1 | B4 | 172.0° | 60.0° |
| C11 | C3 | C1 | H20 | 62.0° | 60.0° |
| C11 | C3 | H24 | H25 | 117.1° | 120.0° |
| C3 | C11 | H26 | H27 | 120.9° | 120.1° |
| C3 | C11 | C12 | H28 | 56.7° | 60.0° |
| C3 | C11 | C12 | H29 | 63.7° | 60.0° |
| N13 | C12 | C11 | H26 | 56.8° | 60.0° |
| N13 | C12 | C11 | H27 | 63.8° | 60.0° |
| N13 | C12 | H28 | H29 | 120.6° | 120.1° |
| C3 | C1 | B4 | H20 | 126.2° | 120.1° |
| C3 | C1 | B4 | O1 | 161.3° | 180.0° |
| C3 | C1 | B4 | O3 | 72.7° | 0.4° |
| C3 | C1 | N2 | H19 | 62.8° | 45.0° |
| C1 | C3 | H24 | H25 | 117.1° | 120.1° |
| C1 | C3 | C11 | H26 | 173.8° | 60.0° |
| C1 | C3 | C11 | H27 | 53.2° | 60.0° |
| C1 | B4 | O1 | O3 | 134.4° | 179.7° |
| C1 | B4 | O1 | C4 | 129.3° | 154.6° |
| C1 | B4 | O3 | C2 | 136.8° | 140.6° |
| B4 | C1 | N2 | H19 | 59.5° | 75.0° |
| B4 | C1 | C3 | H24 | 67.0° | 180.0° |
| B4 | C1 | C3 | H25 | 51.1° | 60.0° |
| B4 | O1 | C4 | C6 | 102.9° | 116.9° |
| B4 | O1 | C4 | C2 | 11.5° | 1.9° |
| O1 | B4 | O3 | C2 | 3.8° | 39.1° |
| O1 | B4 | C1 | H20 | 72.5° | 59.9° |
| B4 | O1 | C4 | H21 | 137.1° | 120.8° |
| O3 | B4 | O1 | C4 | 5.0° | 25.1° |
| B4 | O3 | C2 | C4 | 10.1° | 36.2° |
| O3 | B4 | C1 | H20 | 53.5° | 119.7° |
| B4 | O3 | C2 | H22 | 108.8° | 154.6° |
| B4 | O3 | C2 | H23 | 129.1° | 82.1° |
| O1 | C4 | C6 | O2 | 72.3° | 66.4° |
| O1 | C4 | C6 | C2 | 111.1° | 115.4° |
| O1 | C4 | C6 | H21 | 121.9° | 122.3° |
| O1 | C4 | C2 | H21 | 127.1° | 118.9° |
| O1 | C4 | C2 | O3 | 12.5° | 21.4° |
| O1 | C4 | C2 | H22 | 106.4° | 139.8° |
| O1 | C4 | C2 | H23 | 131.4° | 97.0° |
| O1 | C4 | C6 | H34 | 168.1° | 53.5° |
| O1 | C4 | C6 | H35 | 47.3° | 173.5° |
| O2 | C6 | C4 | H34 | 119.6° | 119.9° |
| O2 | C6 | C4 | H35 | 119.6° | 120.0° |
| O2 | C6 | C4 | C2 | 176.5° | 178.2° |
| O2 | C6 | C4 | H21 | 49.5° | 55.8° |
| O2 | C6 | H34 | H35 | 121.1° | 120.0° |
| C6 | C4 | C2 | H21 | 127.1° | 122.3° |
| C6 | C4 | C2 | O3 | 93.3° | 140.2° |
| C6 | C4 | C2 | H22 | 147.8° | 101.3° |
| C6 | C4 | C2 | H23 | 25.6° | 21.9° |
| C4 | C6 | H34 | H35 | 121.2° | 120.0° |
| C4 | C6 | O2 | H36 | 180.0° | 180.0° |
| C4 | C2 | O3 | H22 | 118.9° | 118.4° |
| C4 | C2 | O3 | H23 | 118.9° | 118.4° |
| C4 | C2 | H22 | H23 | 123.2° | 123.2° |
| C2 | C4 | C6 | H34 | 56.9° | 61.9° |
| C2 | C4 | C6 | H35 | 63.9° | 58.1° |
| O3 | C2 | C4 | H21 | 139.6° | 97.5° |
| O3 | C2 | H22 | H23 | 123.1° | 123.4° |
| H1 | C30 | C29 | H2 | 2.9° | 0.0° |
| H2 | C29 | C28 | H3 | 2.1° | 0.1° |
| H3 | C28 | C27 | H4 | 3.9° | 0.3° |
| H4 | C27 | C26 | H5 | 0.4° | 0.6° |
| H6 | N21 | C18 | H7 | 169.8° | 0.1° |
| H7 | C18 | C20 | H8 | 72.3° | 175.0° |
| H7 | C18 | C20 | H9 | 170.0° | 65.0° |
| H10 | C36 | C35 | H11 | 2.7° | 0.0° |
| H12 | C37 | N38 | H14 | 59.8° | 59.9° |
| H12 | C37 | N38 | H15 | 60.2° | 176.0° |
| H13 | C37 | N38 | H14 | 59.9° | 60.1° |
| H13 | C37 | N38 | H15 | 179.9° | 63.9° |
| H17 | C33 | C32 | H18 | 3.6° | 0.2° |
| H19 | N2 | C1 | H20 | 178.5° | 165.0° |
| H20 | C1 | C3 | H24 | 58.9° | 59.9° |
| H20 | C1 | C3 | H25 | 177.1° | 180.0° |
| H21 | C4 | C2 | H22 | 20.7° | 20.9° |
| H21 | C4 | C2 | H23 | 101.5° | 144.1° |
| H21 | C4 | C6 | H34 | 70.1° | 175.8° |
| H21 | C4 | C6 | H35 | 169.1° | 64.2° |
| H24 | C3 | C11 | H26 | 65.3° | 180.0° |
| H24 | C3 | C11 | H27 | 174.1° | 60.0° |
| H25 | C3 | C11 | H26 | 52.9° | 60.0° |
| H25 | C3 | C11 | H27 | 67.8° | 179.9° |
| H26 | C11 | C12 | H28 | 63.0° | 180.0° |
| H26 | C11 | C12 | H29 | 176.6° | 60.0° |
| H27 | C11 | C12 | H28 | 176.4° | 60.0° |
| H27 | C11 | C12 | H29 | 56.0° | 180.0° |
| H28 | C12 | N13 | H30 | 37.4° | 120.0° |
| H29 | C12 | N13 | H30 | 157.8° | 119.9° |
| H34 | C6 | O2 | H36 | 60.4° | 60.1° |
| H35 | C6 | O2 | H36 | 60.4° | 60.0° |
