A1BEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C25 | sing | 1.36Å | 1.35Å | |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C23 | C10 | sing | 1.48Å | 1.51Å | |
| C23 | C32 | doub | 1.42Å | 1.44Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C15 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.47Å | |
| C27 | C32 | sing | 1.42Å | 1.44Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.40Å | 1.43Å | Aromatic |
| C9 | F1 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C37 | N7 | sing | 1.47Å | 1.49Å | |
| C16 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.38Å | Aromatic |
| C8 | N2 | sing | 1.34Å | 1.38Å | Aromatic |
| N7 | C36 | sing | 1.47Å | 1.48Å | |
| N7 | C34 | sing | 1.47Å | 1.47Å | |
| C17 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| N4 | C18 | sing | 1.47Å | 1.44Å | |
| N4 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | N3 | trip | 1.14Å | 1.14Å | |
| C18 | C19 | sing | 1.55Å | 1.57Å | |
| C18 | C21 | sing | 1.55Å | 1.63Å | |
| N2 | C7 | doub | 1.31Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N1 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | N6 | sing | 1.39Å | 1.38Å | |
| C31 | C30 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C35 | C34 | sing | 1.54Å | 1.54Å | |
| C35 | N6 | sing | 1.47Å | 1.47Å | |
| C34 | C33 | sing | 1.54Å | 1.53Å | |
| N6 | C33 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C19 | sing | 1.56Å | 1.54Å | |
| C22 | C21 | sing | 1.56Å | 1.55Å | |
| C19 | C20 | sing | 1.57Å | 1.53Å | |
| C21 | N5 | sing | 1.50Å | 1.48Å | |
| C2 | O1 | sing | 1.34Å | 1.31Å | |
| C2 | O2 | doub | 1.21Å | 1.20Å | |
| N5 | C20 | sing | 1.50Å | 1.48Å | |
| O1 | C1 | sing | 1.45Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| N5 | H18 | sing | 1.01Å | 1.00Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C25 | C24 | 117.6° | 119.5° |
| O3 | C25 | C26 | 122.8° | 119.6° |
| C25 | O3 | H4 | 109.5° | 114.0° |
| C24 | C25 | C26 | 119.6° | 120.9° |
| C25 | C24 | C23 | 122.0° | 120.6° |
| C25 | C24 | H23 | 119.0° | 119.7° |
| C25 | C26 | C27 | 121.0° | 119.9° |
| C25 | C26 | H24 | 119.5° | 120.1° |
| C24 | C23 | C10 | 119.2° | 120.2° |
| C24 | C23 | C32 | 120.0° | 119.5° |
| C23 | C24 | H23 | 119.0° | 119.7° |
| C26 | C27 | C32 | 119.9° | 119.6° |
| C26 | C27 | C28 | 122.1° | 121.1° |
| C27 | C26 | H24 | 119.5° | 120.0° |
| C11 | C12 | C13 | 113.1° | 109.5° |
| C12 | C11 | C10 | 122.9° | 119.7° |
| C12 | C11 | C15 | 119.4° | 119.7° |
| C11 | C12 | H9 | 108.6° | 109.4° |
| C11 | C12 | H10 | 108.5° | 109.5° |
| C12 | C13 | C14 | 113.6° | 109.5° |
| C13 | C12 | H9 | 108.6° | 109.5° |
| C13 | C12 | H10 | 108.6° | 109.5° |
| C12 | C13 | H11 | 108.4° | 109.4° |
| C12 | C13 | H12 | 108.5° | 109.4° |
| C10 | C23 | C32 | 120.4° | 120.3° |
| C23 | C10 | C11 | 119.9° | 119.8° |
| C23 | C10 | C9 | 119.5° | 119.7° |
| C23 | C32 | C27 | 117.5° | 119.5° |
| C23 | C32 | C31 | 124.5° | 121.1° |
| C10 | C11 | C15 | 117.3° | 120.6° |
| C11 | C10 | C9 | 120.6° | 120.4° |
| C11 | C15 | C16 | 124.0° | 120.1° |
| C11 | C15 | H13 | 118.0° | 120.0° |
| C10 | C9 | F1 | 119.8° | 120.2° |
| C10 | C9 | C8 | 121.6° | 119.6° |
| C13 | C14 | N3 | 175.4° | 180.0° |
| C14 | C13 | H11 | 108.4° | 109.5° |
| C14 | C13 | H12 | 108.4° | 109.5° |
| C32 | C27 | C28 | 117.9° | 119.3° |
| C27 | C32 | C31 | 118.0° | 119.4° |
| C27 | C28 | C29 | 121.6° | 119.7° |
| C27 | C28 | H25 | 119.2° | 120.1° |
| C15 | C16 | C8 | 118.0° | 120.0° |
| C15 | C16 | C17 | 126.8° | 121.3° |
| C16 | C15 | H13 | 118.0° | 119.9° |
| C32 | C31 | C30 | 122.4° | 119.7° |
| C32 | C31 | H28 | 118.8° | 120.1° |
| F1 | C9 | C8 | 118.6° | 120.2° |
| C9 | C8 | C16 | 118.1° | 119.1° |
| C9 | C8 | N2 | 118.8° | 120.5° |
| C37 | N7 | C36 | 107.8° | 111.0° |
| C37 | N7 | C34 | 112.1° | 111.0° |
| N7 | C37 | H38 | 109.5° | 109.4° |
| N7 | C37 | H39 | 109.5° | 109.5° |
| N7 | C37 | H40 | 109.5° | 109.4° |
| C8 | C16 | C17 | 114.9° | 118.7° |
| C16 | C8 | N2 | 123.1° | 120.3° |
| C16 | C17 | N4 | 131.9° | 135.1° |
| C16 | C17 | C6 | 121.4° | 118.6° |
| C28 | C29 | C30 | 120.3° | 121.0° |
| C29 | C28 | H25 | 119.2° | 120.2° |
| C28 | C29 | H26 | 119.8° | 119.5° |
| C8 | N2 | C7 | 119.2° | 122.2° |
| C36 | N7 | C34 | 115.6° | 111.0° |
| N7 | C36 | H35 | 109.5° | 109.4° |
| N7 | C36 | H36 | 109.5° | 109.5° |
| N7 | C36 | H37 | 109.5° | 109.4° |
| N7 | C34 | C35 | 116.4° | 114.4° |
| N7 | C34 | C33 | 115.3° | 114.2° |
| N7 | C34 | H31 | 111.9° | 113.2° |
| N4 | C17 | C6 | 106.6° | 106.3° |
| C17 | N4 | C18 | 124.7° | 126.3° |
| C17 | N4 | C5 | 106.0° | 107.3° |
| C17 | C6 | C7 | 119.6° | 119.1° |
| C17 | C6 | N1 | 109.1° | 107.0° |
| C18 | N4 | C5 | 126.8° | 126.4° |
| N4 | C18 | C19 | 123.3° | 114.4° |
| N4 | C18 | C21 | 116.0° | 114.4° |
| N4 | C18 | H14 | 113.2° | 113.5° |
| N4 | C5 | C4 | 122.3° | 125.1° |
| N4 | C5 | N1 | 111.5° | 109.8° |
| C19 | C18 | C21 | 77.7° | 82.0° |
| C18 | C19 | C22 | 88.5° | 81.5° |
| C18 | C19 | C20 | 105.3° | 101.8° |
| C19 | C18 | H14 | 111.2° | 114.4° |
| C18 | C19 | H15 | 118.9° | 121.0° |
| C18 | C21 | C22 | 86.2° | 81.7° |
| C18 | C21 | N5 | 103.7° | 103.5° |
| C21 | C18 | H14 | 110.4° | 114.5° |
| C18 | C21 | H20 | 117.6° | 119.9° |
| N2 | C7 | C6 | 120.8° | 121.1° |
| N2 | C7 | N6 | 119.2° | 119.5° |
| C5 | C4 | C3 | 113.2° | 109.5° |
| C4 | C5 | N1 | 125.4° | 125.1° |
| C5 | C4 | H7 | 108.5° | 109.4° |
| C5 | C4 | H8 | 108.5° | 109.4° |
| C4 | C3 | C2 | 110.6° | 109.4° |
| C4 | C3 | H5 | 109.2° | 109.5° |
| C4 | C3 | H6 | 109.2° | 109.5° |
| C3 | C4 | H7 | 108.5° | 109.5° |
| C3 | C4 | H8 | 108.5° | 109.5° |
| C7 | C6 | N1 | 131.3° | 134.0° |
| C6 | C7 | N6 | 119.8° | 119.4° |
| C6 | N1 | C5 | 106.9° | 109.5° |
| C7 | N6 | C35 | 128.2° | 111.0° |
| C7 | N6 | C33 | 133.2° | 111.0° |
| C31 | C30 | C29 | 119.7° | 120.9° |
| C31 | C30 | H27 | 120.2° | 119.5° |
| C30 | C31 | H28 | 118.8° | 120.2° |
| C3 | C2 | O1 | 110.4° | 120.0° |
| C3 | C2 | O2 | 126.2° | 120.0° |
| C2 | C3 | H5 | 109.2° | 109.5° |
| C2 | C3 | H6 | 109.2° | 109.5° |
| C34 | C35 | N6 | 87.5° | 88.0° |
| C35 | C34 | C33 | 89.6° | 83.6° |
| C35 | C34 | H31 | 110.9° | 114.2° |
| C34 | C35 | H32 | 114.6° | 113.4° |
| C34 | C35 | H33 | 114.6° | 113.5° |
| C35 | N6 | C33 | 94.6° | 87.9° |
| N6 | C35 | H32 | 114.6° | 113.4° |
| N6 | C35 | H33 | 114.6° | 113.5° |
| C34 | C33 | N6 | 87.8° | 87.9° |
| C34 | C33 | H29 | 114.6° | 113.5° |
| C34 | C33 | H30 | 114.6° | 113.6° |
| C33 | C34 | H31 | 111.0° | 114.2° |
| N6 | C33 | H29 | 114.6° | 113.5° |
| N6 | C33 | H30 | 114.6° | 113.5° |
| C30 | C29 | H26 | 119.9° | 119.5° |
| C29 | C30 | H27 | 120.2° | 119.6° |
| C19 | C22 | C21 | 81.0° | 81.5° |
| C22 | C19 | C20 | 99.2° | 106.4° |
| C22 | C19 | H15 | 119.5° | 120.8° |
| C19 | C22 | H21 | 116.0° | 114.5° |
| C19 | C22 | H22 | 116.0° | 114.5° |
| C22 | C21 | N5 | 103.4° | 108.3° |
| C22 | C21 | H20 | 119.2° | 119.7° |
| C21 | C22 | H21 | 116.0° | 114.5° |
| C21 | C22 | H22 | 116.0° | 114.5° |
| C19 | C20 | N5 | 100.0° | 99.2° |
| C20 | C19 | H15 | 119.7° | 118.5° |
| C19 | C20 | H16 | 111.8° | 111.4° |
| C19 | C20 | H17 | 111.8° | 111.4° |
| C21 | N5 | C20 | 99.7° | 101.0° |
| C21 | N5 | H18 | 111.8° | 111.0° |
| N5 | C21 | H20 | 120.6° | 117.6° |
| O1 | C2 | O2 | 123.4° | 120.0° |
| C2 | O1 | C1 | 118.1° | 117.0° |
| N5 | C20 | H16 | 111.8° | 111.4° |
| N5 | C20 | H17 | 111.8° | 111.5° |
| C20 | N5 | H18 | 111.9° | 111.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 111.3° |
| H21 | C22 | H22 | 109.5° | 113.6° |
| H29 | C33 | H30 | 109.5° | 112.7° |
| H32 | C35 | H33 | 109.5° | 112.8° |
| H35 | C36 | H36 | 109.4° | 109.5° |
| H35 | C36 | H37 | 109.5° | 109.4° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H40 | 109.4° | 109.5° |
| H39 | C37 | H40 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C25 | C24 | C26 | 178.3° | 179.9° |
| O3 | C25 | C24 | C23 | 179.6° | 179.9° |
| O3 | C25 | C26 | C27 | 179.1° | 179.9° |
| O3 | C25 | C24 | H23 | 0.4° | 0.0° |
| O3 | C25 | C26 | H24 | 0.8° | 0.0° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.0° | 0.0° |
| C25 | C24 | C23 | C10 | 173.7° | 179.9° |
| C25 | C24 | C23 | C32 | 1.6° | 0.3° |
| C24 | C25 | O3 | H4 | 180.0° | 90.0° |
| C24 | C25 | C26 | H24 | 179.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.3° | 0.0° |
| C25 | C26 | C27 | H24 | 180.0° | 179.9° |
| C25 | C26 | C27 | C32 | 0.9° | 0.3° |
| C25 | C26 | C27 | C28 | 179.3° | 179.9° |
| C26 | C25 | O3 | H4 | 1.8° | 90.1° |
| C26 | C25 | C24 | H23 | 178.7° | 180.0° |
| C24 | C23 | C10 | C32 | 172.1° | 179.7° |
| C24 | C23 | C10 | C11 | 67.0° | 89.7° |
| C24 | C23 | C10 | C9 | 111.9° | 90.3° |
| C24 | C23 | C32 | C27 | 1.5° | 0.6° |
| C24 | C23 | C32 | C31 | 177.3° | 179.8° |
| C26 | C27 | C32 | C23 | 1.1° | 0.6° |
| C26 | C27 | C32 | C28 | 178.4° | 179.6° |
| C26 | C27 | C32 | C31 | 177.7° | 179.8° |
| C26 | C27 | C28 | C29 | 174.7° | 179.9° |
| C26 | C27 | C28 | H25 | 5.3° | 0.1° |
| C11 | C12 | C13 | H9 | 120.5° | 120.0° |
| C11 | C12 | C13 | H10 | 120.5° | 120.0° |
| C12 | C11 | C10 | C23 | 3.6° | 0.0° |
| C12 | C11 | C10 | C15 | 172.2° | 180.0° |
| C12 | C11 | C10 | C9 | 177.5° | 180.0° |
| C11 | C12 | C13 | C14 | 43.8° | 180.0° |
| C12 | C11 | C15 | C16 | 177.0° | 180.0° |
| C11 | C12 | H9 | H10 | 118.3° | 120.0° |
| C11 | C12 | C13 | H11 | 76.8° | 60.0° |
| C11 | C12 | C13 | H12 | 164.4° | 60.0° |
| C12 | C11 | C15 | H13 | 3.0° | 0.0° |
| C13 | C12 | C11 | C10 | 67.7° | 85.0° |
| C13 | C12 | C11 | C15 | 104.3° | 95.0° |
| C12 | C13 | C14 | H11 | 120.6° | 120.0° |
| C12 | C13 | C14 | H12 | 120.6° | 120.0° |
| C12 | C13 | C14 | N3 | 68.6° | 178.2° |
| C13 | C12 | H9 | H10 | 118.4° | 120.0° |
| C12 | C13 | H11 | H12 | 118.1° | 120.0° |
| C23 | C10 | C11 | C9 | 178.9° | 180.0° |
| C23 | C10 | C11 | C15 | 175.7° | 180.0° |
| C10 | C23 | C32 | C27 | 173.5° | 179.7° |
| C10 | C23 | C32 | C31 | 5.3° | 0.6° |
| C23 | C10 | C9 | F1 | 0.2° | 0.0° |
| C23 | C10 | C9 | C8 | 179.8° | 180.0° |
| C10 | C23 | C24 | H23 | 6.3° | 0.1° |
| C32 | C23 | C10 | C11 | 105.1° | 90.0° |
| C32 | C23 | C10 | C9 | 76.0° | 90.0° |
| C23 | C32 | C27 | C31 | 178.9° | 179.2° |
| C23 | C32 | C27 | C28 | 179.6° | 179.8° |
| C23 | C32 | C31 | C30 | 176.0° | 179.7° |
| C32 | C23 | C24 | H23 | 178.4° | 179.7° |
| C23 | C32 | C31 | H28 | 4.0° | 0.6° |
| C10 | C11 | C15 | C16 | 4.6° | 0.0° |
| C11 | C10 | C9 | F1 | 179.1° | 180.0° |
| C11 | C10 | C9 | C8 | 0.9° | 0.0° |
| C10 | C11 | C12 | H9 | 52.9° | 154.9° |
| C10 | C11 | C12 | H10 | 171.8° | 35.0° |
| C10 | C11 | C15 | H13 | 175.4° | 180.0° |
| C15 | C11 | C10 | C9 | 5.4° | 0.0° |
| C11 | C15 | C16 | H13 | 180.0° | 180.0° |
| C11 | C15 | C16 | C8 | 0.8° | 0.0° |
| C11 | C15 | C16 | C17 | 175.0° | 180.0° |
| C15 | C11 | C12 | H9 | 135.1° | 25.0° |
| C15 | C11 | C12 | H10 | 16.2° | 145.0° |
| C10 | C9 | F1 | C8 | 180.0° | 180.0° |
| C10 | C9 | C8 | C16 | 4.6° | 0.1° |
| C10 | C9 | C8 | N2 | 175.3° | 179.9° |
| C14 | C13 | C12 | H9 | 164.3° | 60.0° |
| C14 | C13 | C12 | H10 | 76.7° | 60.0° |
| C14 | C13 | H11 | H12 | 118.1° | 120.1° |
| C32 | C27 | C28 | C29 | 3.7° | 0.3° |
| C27 | C32 | C31 | C30 | 2.8° | 0.6° |
| C32 | C27 | C26 | H24 | 179.1° | 179.8° |
| C32 | C27 | C28 | H25 | 176.3° | 179.7° |
| C27 | C32 | C31 | H28 | 177.2° | 179.7° |
| C28 | C27 | C32 | C31 | 0.7° | 0.6° |
| C27 | C28 | C29 | H25 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 3.3° | 0.1° |
| C28 | C27 | C26 | H24 | 0.7° | 0.1° |
| C27 | C28 | C29 | H26 | 176.7° | 180.0° |
| C15 | C16 | C8 | C9 | 5.3° | 0.1° |
| C15 | C16 | C8 | C17 | 174.9° | 179.9° |
| C15 | C16 | C8 | N2 | 174.5° | 179.9° |
| C15 | C16 | C17 | N4 | 7.4° | 0.0° |
| C15 | C16 | C17 | C6 | 167.2° | 179.9° |
| C32 | C31 | C30 | H28 | 180.0° | 179.7° |
| C32 | C31 | C30 | C29 | 3.4° | 0.3° |
| C32 | C31 | C30 | H27 | 176.6° | 179.8° |
| F1 | C9 | C8 | C16 | 175.4° | 179.9° |
| F1 | C9 | C8 | N2 | 4.7° | 0.1° |
| C9 | C8 | C16 | N2 | 179.8° | 180.0° |
| C9 | C8 | C16 | C17 | 179.8° | 180.0° |
| C9 | C8 | N2 | C7 | 172.0° | 180.0° |
| C37 | N7 | C36 | C34 | 126.4° | 124.0° |
| C37 | N7 | C34 | C35 | 66.0° | 149.9° |
| C37 | N7 | C34 | C33 | 169.1° | 56.0° |
| C37 | N7 | C34 | H31 | 62.9° | 76.9° |
| C37 | N7 | C36 | H35 | 180.0° | 64.0° |
| C37 | N7 | C36 | H36 | 60.0° | 56.0° |
| C37 | N7 | C36 | H37 | 60.0° | 176.1° |
| N7 | C37 | H38 | H39 | 120.0° | 120.0° |
| N7 | C37 | H38 | H40 | 120.0° | 119.9° |
| N7 | C37 | H39 | H40 | 120.0° | 120.0° |
| C8 | C16 | C17 | N4 | 178.2° | 180.0° |
| C8 | C16 | C17 | C6 | 7.1° | 0.0° |
| C16 | C8 | N2 | C7 | 7.8° | 0.0° |
| C8 | C16 | C15 | H13 | 179.2° | 180.0° |
| C17 | C16 | C8 | N2 | 0.4° | 0.0° |
| C16 | C17 | N4 | C6 | 175.3° | 180.0° |
| C16 | C17 | N4 | C18 | 23.3° | 0.0° |
| C16 | C17 | N4 | C5 | 173.7° | 180.0° |
| C16 | C17 | C6 | C7 | 5.8° | 0.0° |
| C16 | C17 | C6 | N1 | 173.6° | 180.0° |
| C17 | C16 | C15 | H13 | 5.0° | 0.0° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C28 | C29 | C30 | H26 | 180.0° | 180.0° |
| C28 | C29 | C30 | H27 | 179.7° | 180.0° |
| C8 | N2 | C7 | C6 | 9.4° | 0.0° |
| C8 | N2 | C7 | N6 | 176.4° | 180.0° |
| C36 | N7 | C34 | C35 | 169.9° | 86.1° |
| C36 | N7 | C34 | C33 | 66.7° | 180.0° |
| C36 | N7 | C34 | H31 | 61.3° | 47.1° |
| N7 | C36 | H35 | H36 | 120.0° | 120.0° |
| N7 | C36 | H35 | H37 | 120.0° | 119.9° |
| N7 | C36 | H36 | H37 | 120.0° | 120.0° |
| C36 | N7 | C37 | H38 | 180.0° | 63.9° |
| C36 | N7 | C37 | H39 | 60.0° | 176.0° |
| C36 | N7 | C37 | H40 | 60.0° | 56.0° |
| N7 | C34 | C35 | C33 | 118.3° | 113.7° |
| N7 | C34 | C35 | H31 | 129.3° | 132.7° |
| N7 | C34 | C35 | N6 | 113.2° | 139.7° |
| N7 | C34 | C33 | H31 | 128.5° | 132.5° |
| N7 | C34 | C33 | N6 | 114.1° | 139.9° |
| N7 | C34 | C33 | H29 | 2.1° | 105.3° |
| N7 | C34 | C33 | H30 | 129.9° | 25.1° |
| N7 | C34 | C35 | H32 | 130.8° | 24.9° |
| N7 | C34 | C35 | H33 | 2.9° | 105.5° |
| C34 | N7 | C36 | H35 | 53.6° | 60.0° |
| C34 | N7 | C36 | H36 | 173.6° | 180.0° |
| C34 | N7 | C36 | H37 | 66.4° | 59.9° |
| C34 | N7 | C37 | H38 | 51.6° | 60.1° |
| C34 | N7 | C37 | H39 | 68.5° | 60.0° |
| C34 | N7 | C37 | H40 | 171.6° | 180.0° |
| C17 | N4 | C18 | C5 | 159.4° | 179.9° |
| C17 | N4 | C18 | C19 | 134.4° | 59.1° |
| C17 | N4 | C18 | C21 | 42.3° | 151.3° |
| C17 | N4 | C5 | C4 | 170.1° | 180.0° |
| N4 | C17 | C6 | C7 | 178.3° | 180.0° |
| N4 | C17 | C6 | N1 | 2.3° | 0.1° |
| C17 | N4 | C5 | N1 | 0.3° | 0.1° |
| C17 | N4 | C18 | H14 | 86.8° | 74.8° |
| C6 | C17 | N4 | C18 | 161.4° | 180.0° |
| C6 | C17 | N4 | C5 | 1.6° | 0.1° |
| C17 | C6 | C7 | N2 | 2.7° | 0.0° |
| C17 | C6 | C7 | N1 | 179.2° | 179.9° |
| C17 | C6 | N1 | C5 | 2.1° | 0.0° |
| C17 | C6 | C7 | N6 | 177.0° | 180.0° |
| N4 | C18 | C19 | C21 | 113.2° | 113.3° |
| N4 | C18 | C19 | H14 | 139.5° | 133.4° |
| N4 | C18 | C21 | H14 | 130.4° | 133.4° |
| C18 | N4 | C5 | C4 | 27.4° | 0.0° |
| C18 | N4 | C5 | N1 | 162.2° | 180.0° |
| N4 | C18 | C19 | C22 | 150.3° | 155.0° |
| N4 | C18 | C21 | C22 | 158.2° | 155.1° |
| N4 | C18 | C19 | C20 | 51.1° | 49.9° |
| N4 | C18 | C21 | N5 | 55.4° | 48.1° |
| N4 | C18 | C19 | H15 | 86.5° | 84.1° |
| N4 | C18 | C21 | H20 | 80.6° | 85.3° |
| C5 | N4 | C18 | C19 | 25.0° | 120.8° |
| C5 | N4 | C18 | C21 | 117.2° | 28.6° |
| N4 | C5 | C4 | N1 | 169.1° | 179.9° |
| N4 | C5 | C4 | C3 | 172.9° | 88.7° |
| N4 | C5 | N1 | C6 | 1.1° | 0.0° |
| N4 | C5 | C4 | H7 | 66.6° | 151.3° |
| N4 | C5 | C4 | H8 | 52.3° | 31.3° |
| C5 | N4 | C18 | H14 | 113.8° | 105.3° |
| N3 | C14 | C13 | H11 | 52.0° | 58.2° |
| N3 | C14 | C13 | H12 | 170.8° | 61.8° |
| C19 | C18 | C21 | H14 | 108.3° | 113.3° |
| C18 | C19 | C22 | C20 | 105.3° | 99.9° |
| C18 | C19 | C22 | H15 | 122.7° | 121.1° |
| C19 | C18 | C21 | C22 | 37.0° | 41.8° |
| C18 | C19 | C20 | H15 | 137.2° | 135.4° |
| C19 | C18 | C21 | N5 | 65.9° | 65.1° |
| C18 | C19 | C20 | N5 | 42.1° | 43.3° |
| C18 | C19 | C20 | H16 | 160.6° | 160.8° |
| C18 | C19 | C20 | H17 | 76.3° | 74.3° |
| C19 | C18 | C21 | H20 | 158.1° | 161.4° |
| C18 | C19 | C22 | H21 | 75.8° | 71.6° |
| C18 | C19 | C22 | H22 | 153.5° | 154.7° |
| C18 | C21 | C22 | N5 | 103.2° | 101.5° |
| C18 | C21 | C22 | H20 | 119.7° | 119.8° |
| C21 | C18 | C19 | C20 | 62.1° | 63.4° |
| C18 | C21 | N5 | H20 | 134.4° | 134.8° |
| C18 | C21 | N5 | C20 | 48.4° | 44.0° |
| C21 | C18 | C19 | H15 | 160.3° | 162.6° |
| C18 | C21 | N5 | H18 | 70.0° | 73.7° |
| C18 | C21 | C22 | H21 | 77.3° | 71.5° |
| C18 | C21 | C22 | H22 | 152.0° | 154.7° |
| N2 | C7 | C6 | N6 | 174.2° | 180.0° |
| N2 | C7 | C6 | N1 | 178.0° | 179.9° |
| N2 | C7 | N6 | C35 | 23.0° | 96.0° |
| N2 | C7 | N6 | C33 | 174.3° | 0.0° |
| C5 | C4 | C3 | H7 | 120.6° | 120.0° |
| C5 | C4 | C3 | H8 | 120.6° | 120.0° |
| C4 | C5 | N1 | C6 | 171.1° | 180.0° |
| C5 | C4 | C3 | C2 | 78.6° | 175.3° |
| C5 | C4 | C3 | H5 | 161.3° | 55.2° |
| C5 | C4 | C3 | H6 | 41.6° | 64.8° |
| C5 | C4 | H7 | H8 | 118.3° | 119.9° |
| C3 | C4 | C5 | N1 | 3.8° | 91.3° |
| C4 | C3 | C2 | H5 | 120.1° | 120.0° |
| C4 | C3 | C2 | H6 | 120.2° | 120.0° |
| C4 | C3 | C2 | O1 | 177.9° | 180.0° |
| C4 | C3 | C2 | O2 | 3.7° | 0.0° |
| C4 | C3 | H5 | H6 | 119.5° | 120.0° |
| C3 | C4 | H7 | H8 | 118.3° | 120.0° |
| C7 | C6 | N1 | C5 | 178.6° | 180.0° |
| C6 | C7 | N6 | C35 | 162.6° | 84.0° |
| C6 | C7 | N6 | C33 | 11.3° | 180.0° |
| N1 | C6 | C7 | N6 | 3.8° | 0.0° |
| N1 | C5 | C4 | H7 | 124.4° | 28.8° |
| N1 | C5 | C4 | H8 | 116.8° | 148.7° |
| C7 | N6 | C35 | C34 | 154.0° | 138.7° |
| C7 | N6 | C35 | C33 | 159.4° | 111.7° |
| C7 | N6 | C33 | C34 | 152.3° | 138.7° |
| C7 | N6 | C33 | H29 | 36.2° | 106.5° |
| C7 | N6 | C33 | H30 | 91.6° | 23.9° |
| C7 | N6 | C35 | H32 | 89.9° | 24.0° |
| C7 | N6 | C35 | H33 | 38.0° | 106.5° |
| C31 | C30 | C29 | H27 | 180.0° | 179.9° |
| C31 | C30 | C29 | H26 | 179.7° | 180.0° |
| C3 | C2 | O1 | O2 | 178.4° | 180.0° |
| C3 | C2 | O1 | C1 | 166.7° | 180.0° |
| C2 | C3 | H5 | H6 | 119.5° | 120.0° |
| C2 | C3 | C4 | H7 | 42.0° | 64.7° |
| C2 | C3 | C4 | H8 | 160.9° | 55.3° |
| C34 | C35 | N6 | H32 | 116.0° | 114.7° |
| C34 | C35 | N6 | H33 | 116.0° | 114.8° |
| C35 | C34 | C33 | H31 | 112.3° | 113.6° |
| C34 | C35 | N6 | C33 | 5.4° | 27.0° |
| C35 | C34 | C33 | H29 | 121.3° | 140.8° |
| C35 | C34 | C33 | H30 | 110.9° | 88.8° |
| C34 | C35 | H32 | H33 | 130.5° | 130.8° |
| C35 | N6 | C33 | H29 | 121.5° | 141.8° |
| C35 | N6 | C33 | H30 | 110.7° | 87.9° |
| N6 | C35 | C34 | H31 | 117.5° | 87.6° |
| N6 | C35 | H32 | H33 | 130.5° | 130.8° |
| C34 | C33 | N6 | H29 | 116.1° | 114.8° |
| C34 | C33 | N6 | H30 | 116.1° | 114.9° |
| C34 | C33 | H29 | H30 | 130.3° | 130.9° |
| C33 | C34 | C35 | H32 | 110.9° | 88.7° |
| C33 | C34 | C35 | H33 | 121.2° | 140.8° |
| N6 | C33 | H29 | H30 | 130.3° | 130.8° |
| N6 | C33 | C34 | H31 | 117.4° | 87.7° |
| C33 | N6 | C35 | H32 | 110.6° | 87.7° |
| C33 | N6 | C35 | H33 | 121.4° | 141.8° |
| C30 | C29 | C28 | H25 | 176.7° | 180.0° |
| C29 | C30 | C31 | H28 | 176.6° | 180.0° |
| C19 | C22 | C21 | H21 | 114.7° | 113.1° |
| C19 | C22 | C21 | H22 | 114.7° | 113.1° |
| C22 | C19 | C20 | H15 | 131.8° | 140.1° |
| C19 | C22 | C21 | N5 | 65.9° | 60.0° |
| C22 | C19 | C20 | N5 | 48.9° | 41.2° |
| C22 | C19 | C18 | H14 | 70.3° | 71.6° |
| C22 | C19 | C20 | H16 | 69.6° | 76.3° |
| C22 | C19 | C20 | H17 | 167.3° | 158.8° |
| C19 | C22 | C21 | H20 | 157.0° | 161.4° |
| C19 | C22 | H21 | H22 | 133.7° | 134.1° |
| C21 | C22 | C19 | C20 | 66.4° | 58.4° |
| C22 | C21 | N5 | H20 | 136.3° | 139.6° |
| C22 | C21 | N5 | C20 | 41.0° | 41.5° |
| C22 | C21 | C18 | H14 | 71.4° | 71.5° |
| C21 | C22 | C19 | H15 | 161.6° | 162.7° |
| C22 | C21 | N5 | H18 | 159.4° | 159.3° |
| C21 | C22 | H21 | H22 | 133.7° | 134.2° |
| C19 | C20 | N5 | C21 | 4.6° | 0.1° |
| C19 | C20 | N5 | H16 | 118.4° | 117.5° |
| C19 | C20 | N5 | H17 | 118.4° | 117.5° |
| C20 | C19 | C18 | H14 | 169.4° | 176.7° |
| C19 | C20 | H16 | H17 | 124.4° | 125.0° |
| C19 | C20 | N5 | H18 | 113.8° | 117.6° |
| C20 | C19 | C22 | H21 | 178.9° | 171.6° |
| C20 | C19 | C22 | H22 | 48.2° | 54.8° |
| C21 | N5 | C20 | H18 | 118.4° | 117.7° |
| N5 | C21 | C18 | H14 | 174.2° | 178.4° |
| C21 | N5 | C20 | H16 | 113.8° | 117.3° |
| C21 | N5 | C20 | H17 | 123.0° | 117.7° |
| N5 | C21 | C22 | H21 | 179.4° | 173.1° |
| N5 | C21 | C22 | H22 | 48.8° | 53.2° |
| C2 | O1 | C1 | H1 | 180.0° | 60.1° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H5 | 61.9° | 60.0° |
| O1 | C2 | C3 | H6 | 57.7° | 60.0° |
| O2 | C2 | O1 | C1 | 11.7° | 0.0° |
| O2 | C2 | C3 | H5 | 116.4° | 120.0° |
| O2 | C2 | C3 | H6 | 123.9° | 120.0° |
| N5 | C20 | C19 | H15 | 179.3° | 178.7° |
| N5 | C20 | H16 | H17 | 124.4° | 125.2° |
| C20 | N5 | C21 | H20 | 177.3° | 178.8° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H5 | C3 | C4 | H7 | 78.1° | 175.2° |
| H5 | C3 | C4 | H8 | 40.7° | 64.7° |
| H6 | C3 | C4 | H7 | 162.2° | 55.2° |
| H6 | C3 | C4 | H8 | 78.9° | 175.3° |
| H9 | C12 | C13 | H11 | 43.7° | 180.0° |
| H9 | C12 | C13 | H12 | 75.1° | 60.0° |
| H10 | C12 | C13 | H11 | 162.7° | 60.0° |
| H10 | C12 | C13 | H12 | 43.9° | 180.0° |
| H14 | C18 | C19 | H15 | 52.9° | 49.3° |
| H14 | C18 | C21 | H20 | 49.8° | 48.1° |
| H15 | C19 | C20 | H16 | 62.2° | 63.8° |
| H15 | C19 | C20 | H17 | 60.9° | 61.1° |
| H15 | C19 | C22 | H21 | 46.9° | 49.5° |
| H15 | C19 | C22 | H22 | 83.8° | 84.2° |
| H16 | C20 | N5 | H18 | 127.8° | 124.9° |
| H17 | C20 | N5 | H18 | 4.7° | 0.1° |
| H18 | N5 | C21 | H20 | 64.3° | 61.1° |
| H20 | C21 | C22 | H21 | 42.4° | 48.3° |
| H20 | C21 | C22 | H22 | 88.3° | 85.5° |
| H25 | C28 | C29 | H26 | 3.3° | 0.0° |
| H26 | C29 | C30 | H27 | 0.3° | 0.0° |
| H27 | C30 | C31 | H28 | 3.4° | 0.1° |
| H29 | C33 | C34 | H31 | 126.4° | 27.1° |
| H30 | C33 | C34 | H31 | 1.4° | 157.6° |
| H31 | C34 | C35 | H32 | 1.5° | 157.6° |
| H31 | C34 | C35 | H33 | 126.4° | 27.2° |
| H35 | C36 | H36 | H37 | 120.0° | 120.0° |
| H38 | C37 | H39 | H40 | 119.9° | 120.0° |
