A1DB0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.58Å | 1.54Å | |
| C2 | C3 | sing | 1.50Å | 1.56Å | |
| C2 | C6 | sing | 1.53Å | 1.55Å | |
| C2 | N7 | sing | 1.53Å | 1.48Å | |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| C4 | C5 | sing | 1.50Å | 1.55Å | |
| C5 | N1 | sing | 1.53Å | 1.45Å | |
| N1 | C6 | sing | 1.42Å | 1.46Å | |
| N1 | C7 | sing | 1.40Å | 1.41Å | |
| C7 | N2 | doub | 1.36Å | 1.34Å | Aromatic |
| C7 | C22 | sing | 1.37Å | 1.43Å | Aromatic |
| N2 | C8 | sing | 1.26Å | 1.32Å | Aromatic |
| C8 | O1 | sing | 1.35Å | 1.36Å | |
| C8 | N4 | doub | 1.33Å | 1.32Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | N3 | sing | 1.48Å | 1.47Å | |
| C10 | C16 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C13 | N3 | sing | 1.48Å | 1.46Å | |
| N3 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C15 | F1 | sing | 1.40Å | 1.33Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| N4 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| C17 | C18 | doub | 1.42Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.43Å | 1.42Å | Aromatic |
| C18 | F2 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | sing | 1.49Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.34Å | 1.40Å | Aromatic |
| C19 | C23 | sing | 1.46Å | 1.47Å | |
| C20 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.43Å | 1.42Å | Aromatic |
| C23 | C24 | doub | 1.42Å | 1.43Å | Aromatic |
| C23 | C29 | sing | 1.45Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.43Å | 1.41Å | Aromatic |
| C24 | C30 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.32Å | 1.40Å | Aromatic |
| C27 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C29 | doub | 1.50Å | 1.42Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.35Å | Aromatic |
| N6 | C28 | doub | 1.35Å | 1.31Å | Aromatic |
| C28 | C29 | sing | 1.36Å | 1.43Å | Aromatic |
| C30 | C31 | sing | 1.59Å | 1.55Å | |
| C31 | C32 | sing | 1.48Å | 1.54Å | |
| C32 | C33 | sing | 1.52Å | 1.55Å | |
| C33 | O2 | sing | 1.36Å | 1.43Å | |
| O2 | C34 | sing | 1.42Å | 1.35Å | |
| C34 | O3 | doub | 1.22Å | 1.23Å | |
| C34 | N7 | sing | 1.31Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.10Å | 1.10Å | |
| C30 | H32 | sing | 1.08Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.10Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.9° | 109.8° |
| C1 | C2 | C6 | 110.1° | 109.7° |
| C1 | C2 | N7 | 108.4° | 104.8° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C3 | C2 | C6 | 106.6° | 112.1° |
| C3 | C2 | N7 | 107.7° | 107.3° |
| C2 | C3 | C4 | 115.4° | 106.0° |
| C2 | C3 | H4 | 108.0° | 110.0° |
| C2 | C3 | H5 | 108.0° | 110.0° |
| C6 | C2 | N7 | 115.0° | 112.8° |
| C2 | C6 | N1 | 111.0° | 108.1° |
| C2 | C6 | H10 | 109.1° | 110.8° |
| C2 | C6 | H11 | 109.1° | 111.4° |
| C2 | N7 | C34 | 132.6° | 119.6° |
| C2 | N7 | H39 | 113.7° | 120.4° |
| C3 | C4 | C5 | 113.0° | 111.7° |
| C4 | C3 | H4 | 108.0° | 110.1° |
| C4 | C3 | H5 | 108.0° | 110.2° |
| C3 | C4 | H6 | 108.6° | 109.5° |
| C3 | C4 | H7 | 108.6° | 108.5° |
| C4 | C5 | N1 | 104.6° | 108.4° |
| C5 | C4 | H6 | 108.6° | 110.1° |
| C5 | C4 | H7 | 108.6° | 108.9° |
| C4 | C5 | H8 | 110.7° | 110.8° |
| C4 | C5 | H9 | 110.7° | 110.3° |
| C5 | N1 | C6 | 114.8° | 110.5° |
| C5 | N1 | C7 | 121.5° | 108.4° |
| N1 | C5 | H8 | 110.7° | 109.3° |
| N1 | C5 | H9 | 110.7° | 108.1° |
| C6 | N1 | C7 | 123.4° | 103.3° |
| N1 | C6 | H10 | 109.1° | 107.0° |
| N1 | C6 | H11 | 109.1° | 108.5° |
| N1 | C7 | N2 | 112.9° | 122.7° |
| N1 | C7 | C22 | 128.7° | 120.5° |
| N2 | C7 | C22 | 118.3° | 116.7° |
| C7 | N2 | C8 | 119.5° | 122.7° |
| C7 | C22 | C17 | 119.3° | 116.6° |
| C7 | C22 | C21 | 123.8° | 121.6° |
| N2 | C8 | O1 | 115.4° | 117.6° |
| N2 | C8 | N4 | 125.2° | 124.8° |
| O1 | C8 | N4 | 119.5° | 117.6° |
| C8 | O1 | C9 | 120.4° | 117.0° |
| C8 | N4 | C17 | 120.1° | 115.8° |
| O1 | C9 | C10 | 109.3° | 109.5° |
| O1 | C9 | H12 | 109.5° | 109.4° |
| O1 | C9 | H13 | 109.5° | 109.5° |
| C9 | C10 | C11 | 111.0° | 110.9° |
| C9 | C10 | N3 | 109.9° | 110.9° |
| C9 | C10 | C16 | 111.4° | 111.6° |
| C10 | C9 | H12 | 109.5° | 109.4° |
| C10 | C9 | H13 | 109.5° | 109.5° |
| C11 | C10 | N3 | 105.6° | 107.2° |
| C11 | C10 | C16 | 112.6° | 108.8° |
| C10 | C11 | C12 | 106.4° | 103.1° |
| C10 | C11 | H14 | 110.2° | 110.7° |
| C10 | C11 | H15 | 110.2° | 110.8° |
| N3 | C10 | C16 | 106.2° | 107.2° |
| C10 | N3 | C13 | 110.1° | 108.5° |
| C10 | N3 | C14 | 111.1° | 108.4° |
| C10 | C16 | C15 | 107.6° | 103.1° |
| C10 | C16 | H23 | 109.9° | 110.7° |
| C10 | C16 | H24 | 109.9° | 110.9° |
| C11 | C12 | C13 | 103.9° | 101.7° |
| C12 | C11 | H14 | 110.2° | 110.7° |
| C12 | C11 | H15 | 110.2° | 110.7° |
| C11 | C12 | H16 | 110.9° | 111.0° |
| C11 | C12 | H17 | 110.8° | 111.0° |
| C12 | C13 | N3 | 106.8° | 104.8° |
| C13 | C12 | H16 | 110.8° | 111.1° |
| C13 | C12 | H17 | 110.9° | 111.0° |
| C12 | C13 | H18 | 110.1° | 110.4° |
| C12 | C13 | H19 | 110.1° | 110.4° |
| C13 | N3 | C14 | 110.7° | 110.0° |
| N3 | C13 | H18 | 110.2° | 110.4° |
| N3 | C13 | H19 | 110.1° | 110.4° |
| N3 | C14 | C15 | 107.9° | 104.8° |
| N3 | C14 | H20 | 109.9° | 110.4° |
| N3 | C14 | H21 | 109.9° | 110.5° |
| C14 | C15 | F1 | 111.6° | 111.0° |
| C14 | C15 | C16 | 106.5° | 101.6° |
| C15 | C14 | H20 | 109.9° | 110.4° |
| C15 | C14 | H21 | 109.9° | 110.3° |
| C14 | C15 | H22 | 108.1° | 111.0° |
| F1 | C15 | C16 | 111.6° | 111.0° |
| F1 | C15 | H22 | 110.8° | 110.9° |
| C16 | C15 | H22 | 108.1° | 111.0° |
| C15 | C16 | H23 | 109.9° | 110.7° |
| C15 | C16 | H24 | 109.9° | 110.7° |
| N4 | C17 | C18 | 118.3° | 119.2° |
| N4 | C17 | C22 | 117.6° | 122.2° |
| C18 | C17 | C22 | 124.1° | 118.6° |
| C17 | C18 | F2 | 121.5° | 120.5° |
| C17 | C18 | C19 | 117.0° | 118.1° |
| C17 | C22 | C21 | 116.8° | 121.8° |
| F2 | C18 | C19 | 121.5° | 121.3° |
| C18 | C19 | C20 | 119.9° | 120.4° |
| C18 | C19 | C23 | 124.0° | 117.7° |
| C20 | C19 | C23 | 116.0° | 121.9° |
| C19 | C20 | C21 | 122.0° | 123.0° |
| C19 | C20 | H25 | 119.0° | 119.0° |
| C19 | C23 | C24 | 118.9° | 122.3° |
| C19 | C23 | C29 | 121.3° | 117.5° |
| C20 | C21 | C22 | 120.2° | 117.2° |
| C21 | C20 | H25 | 119.0° | 117.9° |
| C20 | C21 | H26 | 119.9° | 121.1° |
| C22 | C21 | H26 | 119.9° | 121.7° |
| C24 | C23 | C29 | 119.8° | 120.1° |
| C23 | C24 | C25 | 120.5° | 119.7° |
| C23 | C24 | C30 | 121.2° | 121.4° |
| C23 | C29 | C27 | 118.1° | 115.2° |
| C23 | C29 | C28 | 137.0° | 136.5° |
| C25 | C24 | C30 | 118.3° | 118.9° |
| C24 | C25 | C26 | 120.2° | 120.5° |
| C24 | C25 | H27 | 119.9° | 119.3° |
| C24 | C30 | C31 | 111.8° | 110.3° |
| C24 | C30 | H31 | 108.9° | 108.3° |
| C24 | C30 | H32 | 108.9° | 111.1° |
| C25 | C26 | C27 | 119.0° | 121.4° |
| C26 | C25 | H27 | 119.9° | 120.1° |
| C25 | C26 | H28 | 120.5° | 119.4° |
| C26 | C27 | N5 | 133.5° | 135.0° |
| C26 | C27 | C29 | 122.4° | 122.9° |
| C27 | C26 | H28 | 120.5° | 119.2° |
| N5 | C27 | C29 | 104.1° | 102.1° |
| C27 | N5 | N6 | 113.5° | 111.7° |
| C27 | N5 | H29 | 123.3° | 124.1° |
| C27 | C29 | C28 | 105.0° | 108.2° |
| N5 | N6 | C28 | 105.9° | 107.4° |
| N6 | N5 | H29 | 123.3° | 124.1° |
| N6 | C28 | C29 | 111.6° | 110.4° |
| N6 | C28 | H30 | 124.2° | 124.5° |
| C29 | C28 | H30 | 124.2° | 125.1° |
| C30 | C31 | C32 | 115.6° | 106.1° |
| C31 | C30 | H31 | 108.9° | 108.5° |
| C31 | C30 | H32 | 108.9° | 110.8° |
| C30 | C31 | H33 | 107.9° | 110.7° |
| C30 | C31 | H34 | 107.9° | 110.0° |
| C31 | C32 | C33 | 115.4° | 110.6° |
| C32 | C31 | H33 | 107.9° | 110.3° |
| C32 | C31 | H34 | 107.9° | 109.7° |
| C31 | C32 | H35 | 108.0° | 109.3° |
| C31 | C32 | H36 | 108.0° | 109.2° |
| C32 | C33 | O2 | 111.7° | 111.1° |
| C33 | C32 | H35 | 108.0° | 109.4° |
| C33 | C32 | H36 | 108.0° | 109.1° |
| C32 | C33 | H37 | 108.9° | 109.0° |
| C32 | C33 | H38 | 108.9° | 109.0° |
| C33 | O2 | C34 | 118.2° | 122.3° |
| O2 | C33 | H37 | 108.9° | 109.4° |
| O2 | C33 | H38 | 108.9° | 109.2° |
| O2 | C34 | O3 | 123.0° | 117.9° |
| O2 | C34 | N7 | 112.8° | 124.9° |
| O3 | C34 | N7 | 124.2° | 117.2° |
| C34 | N7 | H39 | 113.7° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 110.4° |
| H14 | C11 | H15 | 109.5° | 110.6° |
| H16 | C12 | H17 | 109.5° | 110.9° |
| H18 | C13 | H19 | 109.5° | 110.4° |
| H20 | C14 | H21 | 109.5° | 110.3° |
| H23 | C16 | H24 | 109.5° | 110.6° |
| H31 | C30 | H32 | 109.4° | 107.8° |
| H33 | C31 | H34 | 109.5° | 109.9° |
| H35 | C32 | H36 | 109.5° | 109.2° |
| H37 | C33 | H38 | 109.5° | 109.0° |
| H6 | C4 | H7 | 109.5° | 108.0° |
| H8 | C5 | H9 | 109.4° | 110.0° |
| H10 | C6 | H11 | 109.5° | 110.8° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C6 | 118.7° | 122.3° |
| C1 | C2 | C3 | N7 | 117.4° | 113.4° |
| C1 | C2 | C6 | N7 | 122.8° | 116.4° |
| C1 | C2 | C3 | C4 | 163.7° | 121.9° |
| C1 | C2 | C6 | N1 | 170.3° | 60.5° |
| C1 | C2 | N7 | C34 | 59.4° | 75.6° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H4 | 75.5° | 119.1° |
| C1 | C2 | C3 | H5 | 42.8° | 2.7° |
| C1 | C2 | C6 | H10 | 50.1° | 56.4° |
| C1 | C2 | C6 | H11 | 69.5° | 179.7° |
| C1 | C2 | N7 | H39 | 120.7° | 104.4° |
| C3 | C2 | C6 | N7 | 119.2° | 121.3° |
| C2 | C3 | C4 | H4 | 120.9° | 119.0° |
| C2 | C3 | C4 | H5 | 120.9° | 119.0° |
| C2 | C3 | C4 | C5 | 48.3° | 57.9° |
| C3 | C2 | C6 | N1 | 52.4° | 61.8° |
| C3 | C2 | N7 | C34 | 177.0° | 167.7° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 59.9° |
| C2 | C3 | H4 | H5 | 117.3° | 121.6° |
| C2 | C3 | C4 | H6 | 72.3° | 64.3° |
| C2 | C3 | C4 | H7 | 168.8° | 178.0° |
| C3 | C2 | C6 | H10 | 67.8° | 178.8° |
| C3 | C2 | C6 | H11 | 172.6° | 57.4° |
| C3 | C2 | N7 | H39 | 3.0° | 12.3° |
| C6 | C2 | C3 | C4 | 44.9° | 0.4° |
| C2 | C6 | N1 | C5 | 69.0° | 64.1° |
| C2 | C6 | N1 | H10 | 120.2° | 119.4° |
| C2 | C6 | N1 | H11 | 120.3° | 121.0° |
| C2 | C6 | N1 | C7 | 104.3° | 179.9° |
| C6 | C2 | N7 | C34 | 64.4° | 43.7° |
| C6 | C2 | C1 | H1 | 63.5° | 176.3° |
| C6 | C2 | C1 | H2 | 56.5° | 56.3° |
| C6 | C2 | C1 | H3 | 176.5° | 63.8° |
| C6 | C2 | C3 | H4 | 165.8° | 118.6° |
| C6 | C2 | C3 | H5 | 75.9° | 119.5° |
| C2 | C6 | H10 | H11 | 119.3° | 124.2° |
| C6 | C2 | N7 | H39 | 115.6° | 136.3° |
| N7 | C2 | C3 | C4 | 79.0° | 124.7° |
| N7 | C2 | C6 | N1 | 66.9° | 177.0° |
| C2 | N7 | C34 | O2 | 15.5° | 1.5° |
| C2 | N7 | C34 | O3 | 164.3° | 178.2° |
| C2 | N7 | C34 | H39 | 180.0° | 180.0° |
| N7 | C2 | C1 | H1 | 63.1° | 54.9° |
| N7 | C2 | C1 | H2 | 176.9° | 65.0° |
| N7 | C2 | C1 | H3 | 56.8° | 174.9° |
| N7 | C2 | C3 | H4 | 41.9° | 5.7° |
| N7 | C2 | C3 | H5 | 160.2° | 116.1° |
| N7 | C2 | C6 | H10 | 172.9° | 60.0° |
| N7 | C2 | C6 | H11 | 53.4° | 63.9° |
| C3 | C4 | C5 | H6 | 120.5° | 121.9° |
| C3 | C4 | C5 | H7 | 120.5° | 119.8° |
| C3 | C4 | C5 | N1 | 53.4° | 56.3° |
| C4 | C3 | H4 | H5 | 117.3° | 121.9° |
| C3 | C4 | H6 | H7 | 118.4° | 118.0° |
| C3 | C4 | C5 | H8 | 172.6° | 176.1° |
| C3 | C4 | C5 | H9 | 65.8° | 61.9° |
| C4 | C5 | N1 | H8 | 119.2° | 120.8° |
| C4 | C5 | N1 | H9 | 119.2° | 119.5° |
| C4 | C5 | N1 | C6 | 65.7° | 6.5° |
| C4 | C5 | N1 | C7 | 107.8° | 119.0° |
| C5 | C4 | C3 | H4 | 169.1° | 176.9° |
| C5 | C4 | C3 | H5 | 72.6° | 61.1° |
| C5 | C4 | H6 | H7 | 118.4° | 118.8° |
| C4 | C5 | H8 | H9 | 122.3° | 122.2° |
| C5 | N1 | C6 | C7 | 173.4° | 115.7° |
| C5 | N1 | C7 | N2 | 18.5° | 15.3° |
| C5 | N1 | C7 | C22 | 163.9° | 168.5° |
| N1 | C5 | C4 | H6 | 67.1° | 65.7° |
| N1 | C5 | C4 | H7 | 173.9° | 176.1° |
| N1 | C5 | H8 | H9 | 122.3° | 118.5° |
| C5 | N1 | C6 | H10 | 51.2° | 176.4° |
| C5 | N1 | C6 | H11 | 170.7° | 56.9° |
| C6 | N1 | C7 | N2 | 154.4° | 101.9° |
| C6 | N1 | C7 | C22 | 23.2° | 74.2° |
| C6 | N1 | C5 | H8 | 175.0° | 114.3° |
| C6 | N1 | C5 | H9 | 53.5° | 126.0° |
| N1 | C6 | H10 | H11 | 119.3° | 118.1° |
| N1 | C7 | N2 | C22 | 177.9° | 176.3° |
| N1 | C7 | N2 | C8 | 178.5° | 172.1° |
| N1 | C7 | C22 | C17 | 177.9° | 165.1° |
| N1 | C7 | C22 | C21 | 2.4° | 14.2° |
| C7 | N1 | C5 | H8 | 11.5° | 1.8° |
| C7 | N1 | C5 | H9 | 133.0° | 121.5° |
| C7 | N1 | C6 | H10 | 135.5° | 60.7° |
| C7 | N1 | C6 | H11 | 15.9° | 58.9° |
| C7 | N2 | C8 | O1 | 179.4° | 178.2° |
| C7 | N2 | C8 | N4 | 0.6° | 3.4° |
| N2 | C7 | C22 | C17 | 0.4° | 11.2° |
| N2 | C7 | C22 | C21 | 179.9° | 169.4° |
| C22 | C7 | N2 | C8 | 0.6° | 4.1° |
| C7 | C22 | C17 | N4 | 0.2° | 12.5° |
| C7 | C22 | C17 | C18 | 179.8° | 168.5° |
| C7 | C22 | C17 | C21 | 179.7° | 179.4° |
| C7 | C22 | C21 | C20 | 179.7° | 174.0° |
| C7 | C22 | C21 | H26 | 0.3° | 6.0° |
| N2 | C8 | O1 | N4 | 180.0° | 178.6° |
| N2 | C8 | O1 | C9 | 2.3° | 178.5° |
| N2 | C8 | N4 | C17 | 0.3° | 2.6° |
| C8 | O1 | C9 | C10 | 176.4° | 180.0° |
| O1 | C8 | N4 | C17 | 179.6° | 179.0° |
| C8 | O1 | C9 | H12 | 56.5° | 60.1° |
| C8 | O1 | C9 | H13 | 63.6° | 60.0° |
| N4 | C8 | O1 | C9 | 177.8° | 0.0° |
| C8 | N4 | C17 | C18 | 179.8° | 175.5° |
| C8 | N4 | C17 | C22 | 0.2° | 5.5° |
| O1 | C9 | C10 | H12 | 120.0° | 119.9° |
| O1 | C9 | C10 | H13 | 120.0° | 120.0° |
| O1 | C9 | C10 | C11 | 178.6° | 61.0° |
| O1 | C9 | C10 | N3 | 65.0° | 180.0° |
| O1 | C9 | C10 | C16 | 52.4° | 60.6° |
| O1 | C9 | H12 | H13 | 120.1° | 120.0° |
| C9 | C10 | C11 | N3 | 119.0° | 121.2° |
| C9 | C10 | C11 | C16 | 125.6° | 123.2° |
| C9 | C10 | N3 | C16 | 120.6° | 122.1° |
| C9 | C10 | C11 | C12 | 133.7° | 143.2° |
| C9 | C10 | N3 | C13 | 117.6° | 119.8° |
| C9 | C10 | N3 | C14 | 119.4° | 120.7° |
| C9 | C10 | C16 | C15 | 123.8° | 143.7° |
| C9 | C10 | C11 | H14 | 106.8° | 24.8° |
| C9 | C10 | C11 | H15 | 14.2° | 98.3° |
| C9 | C10 | C16 | H23 | 4.1° | 97.9° |
| C9 | C10 | C16 | H24 | 116.4° | 25.2° |
| C10 | C9 | H12 | H13 | 120.1° | 120.0° |
| C11 | C10 | N3 | C16 | 119.7° | 116.7° |
| C10 | C11 | C12 | H14 | 119.5° | 118.4° |
| C10 | C11 | C12 | H15 | 119.5° | 118.6° |
| C10 | C11 | C12 | C13 | 25.1° | 35.6° |
| C11 | C10 | N3 | C13 | 2.2° | 1.4° |
| C11 | C10 | N3 | C14 | 120.9° | 118.1° |
| C11 | C10 | C16 | C15 | 110.8° | 93.5° |
| C10 | C11 | H14 | H15 | 121.4° | 123.2° |
| C10 | C11 | C12 | H16 | 94.0° | 82.5° |
| C10 | C11 | C12 | H17 | 144.2° | 153.8° |
| C11 | C10 | C16 | H23 | 129.5° | 24.9° |
| C11 | C10 | C16 | H24 | 9.0° | 148.0° |
| C11 | C10 | C9 | H12 | 58.6° | 59.0° |
| C11 | C10 | C9 | H13 | 61.4° | 179.0° |
| N3 | C10 | C11 | C12 | 14.7° | 22.0° |
| C10 | N3 | C13 | C12 | 18.2° | 24.5° |
| C10 | N3 | C13 | C14 | 123.3° | 118.5° |
| C10 | N3 | C14 | C15 | 6.2° | 24.5° |
| N3 | C10 | C16 | C15 | 4.3° | 22.0° |
| N3 | C10 | C11 | H14 | 134.2° | 96.4° |
| N3 | C10 | C11 | H15 | 104.8° | 140.5° |
| C10 | N3 | C13 | H18 | 137.8° | 143.3° |
| C10 | N3 | C13 | H19 | 101.4° | 94.3° |
| C10 | N3 | C14 | H20 | 125.9° | 94.4° |
| C10 | N3 | C14 | H21 | 113.6° | 143.4° |
| N3 | C10 | C16 | H23 | 115.5° | 140.4° |
| N3 | C10 | C16 | H24 | 124.0° | 96.4° |
| N3 | C10 | C9 | H12 | 175.0° | 60.0° |
| N3 | C10 | C9 | H13 | 55.0° | 60.0° |
| C16 | C10 | C11 | C12 | 100.7° | 93.6° |
| C16 | C10 | N3 | C13 | 121.9° | 118.1° |
| C16 | C10 | N3 | C14 | 1.2° | 1.4° |
| C10 | C16 | C15 | C14 | 7.8° | 35.7° |
| C10 | C16 | C15 | F1 | 114.2° | 82.5° |
| C10 | C16 | C15 | H23 | 119.7° | 118.4° |
| C10 | C16 | C15 | H24 | 119.7° | 118.6° |
| C16 | C10 | C11 | H14 | 18.8° | 148.0° |
| C16 | C10 | C11 | H15 | 139.8° | 24.9° |
| C10 | C16 | C15 | H22 | 123.8° | 153.8° |
| C10 | C16 | H23 | H24 | 120.8° | 123.3° |
| C16 | C10 | C9 | H12 | 67.6° | 179.5° |
| C16 | C10 | C9 | H13 | 172.3° | 59.4° |
| C11 | C12 | C13 | H16 | 119.1° | 118.1° |
| C11 | C12 | C13 | H17 | 119.1° | 118.1° |
| C11 | C12 | C13 | N3 | 26.6° | 37.3° |
| C12 | C11 | H14 | H15 | 121.4° | 123.1° |
| C11 | C12 | H16 | H17 | 122.6° | 123.8° |
| C11 | C12 | C13 | H18 | 146.2° | 156.1° |
| C11 | C12 | C13 | H19 | 93.0° | 81.5° |
| C12 | C13 | N3 | H18 | 119.6° | 118.8° |
| C12 | C13 | N3 | H19 | 119.6° | 118.8° |
| C12 | C13 | N3 | C14 | 105.1° | 94.0° |
| C13 | C12 | C11 | H14 | 144.6° | 82.8° |
| C13 | C12 | C11 | H15 | 94.4° | 154.2° |
| C13 | C12 | H16 | H17 | 122.6° | 123.9° |
| C12 | C13 | H18 | H19 | 121.2° | 122.3° |
| C13 | N3 | C14 | C15 | 116.6° | 94.0° |
| N3 | C13 | C12 | H16 | 92.5° | 80.8° |
| N3 | C13 | C12 | H17 | 145.7° | 155.4° |
| N3 | C13 | H18 | H19 | 121.3° | 122.4° |
| C13 | N3 | C14 | H20 | 3.2° | 147.1° |
| C13 | N3 | C14 | H21 | 123.7° | 24.8° |
| N3 | C14 | C15 | H20 | 119.7° | 118.9° |
| N3 | C14 | C15 | H21 | 119.8° | 119.0° |
| N3 | C14 | C15 | F1 | 113.4° | 80.8° |
| N3 | C14 | C15 | C16 | 8.6° | 37.3° |
| C14 | N3 | C13 | H18 | 14.5° | 24.8° |
| C14 | N3 | C13 | H19 | 135.3° | 147.2° |
| N3 | C14 | H20 | H21 | 120.8° | 122.4° |
| N3 | C14 | C15 | H22 | 124.5° | 155.4° |
| C14 | C15 | F1 | C16 | 119.0° | 112.2° |
| C14 | C15 | F1 | H22 | 120.5° | 123.9° |
| C14 | C15 | C16 | H22 | 115.9° | 118.1° |
| C15 | C14 | H20 | H21 | 120.7° | 122.2° |
| C14 | C15 | C16 | H23 | 111.9° | 154.1° |
| C14 | C15 | C16 | H24 | 127.6° | 83.0° |
| F1 | C15 | C16 | H22 | 122.1° | 123.8° |
| F1 | C15 | C14 | H20 | 6.3° | 160.3° |
| F1 | C15 | C14 | H21 | 126.8° | 38.2° |
| F1 | C15 | C16 | H23 | 126.1° | 35.9° |
| F1 | C15 | C16 | H24 | 5.6° | 158.9° |
| C16 | C15 | C14 | H20 | 128.3° | 81.6° |
| C16 | C15 | C14 | H21 | 111.2° | 156.3° |
| C15 | C16 | H23 | H24 | 120.9° | 123.0° |
| N4 | C17 | C18 | C22 | 180.0° | 179.0° |
| N4 | C17 | C18 | F2 | 0.1° | 9.2° |
| N4 | C17 | C18 | C19 | 179.4° | 171.2° |
| N4 | C17 | C22 | C21 | 179.9° | 168.1° |
| C17 | C18 | F2 | C19 | 179.2° | 179.5° |
| C17 | C18 | C19 | C20 | 1.1° | 0.5° |
| C17 | C18 | C19 | C23 | 178.2° | 179.1° |
| C18 | C17 | C22 | C21 | 0.1° | 10.9° |
| C22 | C17 | C18 | F2 | 179.9° | 171.7° |
| C22 | C17 | C18 | C19 | 0.6° | 7.8° |
| C17 | C22 | C21 | C20 | 0.0° | 5.3° |
| C17 | C22 | C21 | H26 | 180.0° | 174.7° |
| F2 | C18 | C19 | C20 | 179.7° | 180.0° |
| F2 | C18 | C19 | C23 | 2.5° | 1.4° |
| C18 | C19 | C20 | C23 | 177.4° | 178.5° |
| C18 | C19 | C20 | C21 | 1.0° | 6.3° |
| C18 | C19 | C23 | C24 | 75.5° | 144.3° |
| C18 | C19 | C23 | C29 | 106.5° | 37.4° |
| C18 | C19 | C20 | H25 | 179.0° | 170.4° |
| C19 | C20 | C21 | H25 | 180.0° | 176.8° |
| C19 | C20 | C21 | C22 | 0.5° | 3.5° |
| C20 | C19 | C23 | C24 | 101.8° | 37.1° |
| C20 | C19 | C23 | C29 | 76.3° | 141.1° |
| C19 | C20 | C21 | H26 | 179.5° | 176.5° |
| C23 | C19 | C20 | C21 | 178.4° | 175.1° |
| C19 | C23 | C24 | C29 | 178.1° | 178.2° |
| C19 | C23 | C24 | C25 | 178.9° | 179.5° |
| C19 | C23 | C24 | C30 | 0.5° | 0.0° |
| C19 | C23 | C29 | C27 | 179.1° | 177.5° |
| C19 | C23 | C29 | C28 | 1.8° | 3.5° |
| C23 | C19 | C20 | H25 | 1.6° | 8.1° |
| C20 | C21 | C22 | H26 | 180.0° | 180.0° |
| C22 | C21 | C20 | H25 | 179.5° | 173.3° |
| C23 | C24 | C25 | C30 | 179.4° | 179.5° |
| C23 | C24 | C25 | C26 | 0.1° | 0.5° |
| C24 | C23 | C29 | C27 | 1.1° | 4.2° |
| C24 | C23 | C29 | C28 | 179.9° | 174.7° |
| C23 | C24 | C30 | C31 | 80.8° | 61.7° |
| C23 | C24 | C25 | H27 | 179.9° | 179.5° |
| C23 | C24 | C30 | H31 | 39.6° | 179.7° |
| C23 | C24 | C30 | H32 | 158.8° | 61.6° |
| C29 | C23 | C24 | C25 | 0.8° | 2.3° |
| C29 | C23 | C24 | C30 | 178.6° | 178.2° |
| C23 | C29 | C27 | C26 | 0.7° | 3.8° |
| C23 | C29 | C27 | N5 | 179.4° | 176.3° |
| C23 | C29 | C27 | C28 | 179.3° | 179.3° |
| C23 | C29 | C28 | N6 | 179.2° | 177.4° |
| C23 | C29 | C28 | H30 | 0.8° | 2.9° |
| C24 | C25 | C26 | H27 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 1.1° |
| C25 | C24 | C30 | C31 | 98.6° | 117.8° |
| C24 | C25 | C26 | H28 | 179.7° | 178.9° |
| C25 | C24 | C30 | H31 | 141.0° | 0.8° |
| C25 | C24 | C30 | H32 | 21.8° | 118.9° |
| C30 | C24 | C25 | C26 | 179.3° | 179.0° |
| C24 | C30 | C31 | H31 | 120.4° | 118.5° |
| C24 | C30 | C31 | H32 | 120.4° | 123.4° |
| C24 | C30 | C31 | C32 | 115.7° | 164.2° |
| C30 | C24 | C25 | H27 | 0.7° | 1.0° |
| C24 | C30 | H31 | H32 | 118.9° | 120.2° |
| C24 | C30 | C31 | H33 | 123.4° | 44.5° |
| C24 | C30 | C31 | H34 | 5.2° | 77.2° |
| C25 | C26 | C27 | H28 | 180.0° | 180.0° |
| C25 | C26 | C27 | N5 | 179.9° | 178.9° |
| C25 | C26 | C27 | C29 | 0.0° | 1.2° |
| C26 | C27 | N5 | C29 | 179.9° | 179.9° |
| C26 | C27 | N5 | N6 | 179.9° | 176.0° |
| C26 | C27 | C29 | C28 | 179.9° | 175.4° |
| C27 | C26 | C25 | H27 | 179.7° | 178.9° |
| C26 | C27 | N5 | H29 | 0.1° | 4.2° |
| C27 | N5 | N6 | H29 | 180.0° | 179.8° |
| C27 | N5 | N6 | C28 | 0.0° | 1.9° |
| N5 | C27 | C29 | C28 | 0.0° | 4.5° |
| N5 | C27 | C26 | H28 | 0.1° | 1.0° |
| C29 | C27 | N5 | N6 | 0.0° | 3.8° |
| C27 | C29 | C28 | N6 | 0.1° | 3.6° |
| C29 | C27 | C26 | H28 | 180.0° | 178.8° |
| C27 | C29 | C28 | H30 | 179.9° | 176.1° |
| C29 | C27 | N5 | H29 | 180.0° | 176.0° |
| N5 | N6 | C28 | C29 | 0.1° | 1.2° |
| N5 | N6 | C28 | H30 | 179.9° | 178.5° |
| N6 | C28 | C29 | H30 | 180.0° | 179.7° |
| C28 | N6 | N5 | H29 | 179.9° | 177.8° |
| C30 | C31 | C32 | H33 | 120.9° | 120.0° |
| C30 | C31 | C32 | H34 | 120.9° | 118.8° |
| C30 | C31 | C32 | C33 | 155.3° | 175.2° |
| C31 | C30 | H31 | H32 | 118.9° | 120.0° |
| C30 | C31 | H33 | H34 | 117.2° | 121.7° |
| C30 | C31 | C32 | H35 | 34.5° | 64.3° |
| C30 | C31 | C32 | H36 | 83.8° | 55.2° |
| C31 | C32 | C33 | H35 | 120.9° | 120.5° |
| C31 | C32 | C33 | H36 | 120.9° | 120.1° |
| C31 | C32 | C33 | O2 | 156.7° | 117.7° |
| C32 | C31 | C30 | H31 | 4.7° | 77.3° |
| C32 | C31 | C30 | H32 | 123.9° | 40.8° |
| C32 | C31 | H33 | H34 | 117.2° | 121.1° |
| C31 | C32 | H35 | H36 | 117.3° | 119.4° |
| C31 | C32 | C33 | H37 | 83.0° | 121.7° |
| C31 | C32 | C33 | H38 | 36.3° | 2.8° |
| C32 | C33 | O2 | H37 | 120.3° | 120.3° |
| C32 | C33 | O2 | H38 | 120.3° | 120.4° |
| C32 | C33 | O2 | C34 | 70.3° | 147.2° |
| C33 | C32 | C31 | H33 | 83.8° | 55.3° |
| C33 | C32 | C31 | H34 | 34.4° | 66.0° |
| C33 | C32 | H35 | H36 | 117.3° | 119.4° |
| C32 | C33 | H37 | H38 | 119.0° | 118.9° |
| C33 | O2 | C34 | O3 | 0.7° | 1.6° |
| C33 | O2 | C34 | N7 | 179.4° | 178.1° |
| O2 | C33 | C32 | H35 | 35.8° | 121.8° |
| O2 | C33 | C32 | H36 | 82.5° | 2.4° |
| O2 | C33 | H37 | H38 | 119.0° | 119.4° |
| O2 | C34 | O3 | N7 | 179.8° | 179.8° |
| C34 | O2 | C33 | H37 | 50.0° | 26.8° |
| C34 | O2 | C33 | H38 | 169.3° | 92.5° |
| O2 | C34 | N7 | H39 | 164.4° | 178.5° |
| O3 | C34 | N7 | H39 | 15.7° | 1.8° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H6 | 48.6° | 54.7° |
| H4 | C3 | C4 | H7 | 70.3° | 63.0° |
| H5 | C3 | C4 | H6 | 166.9° | 176.7° |
| H5 | C3 | C4 | H7 | 47.9° | 59.0° |
| H14 | C11 | C12 | H16 | 25.5° | 159.0° |
| H14 | C11 | C12 | H17 | 96.3° | 35.3° |
| H15 | C11 | C12 | H16 | 146.5° | 36.1° |
| H15 | C11 | C12 | H17 | 24.7° | 87.7° |
| H16 | C12 | C13 | H18 | 27.1° | 38.0° |
| H16 | C12 | C13 | H19 | 147.9° | 160.4° |
| H17 | C12 | C13 | H18 | 94.7° | 85.8° |
| H17 | C12 | C13 | H19 | 26.1° | 36.6° |
| H20 | C14 | C15 | H22 | 115.7° | 36.5° |
| H21 | C14 | C15 | H22 | 4.7° | 85.6° |
| H22 | C15 | C16 | H23 | 4.1° | 87.9° |
| H22 | C15 | C16 | H24 | 116.5° | 35.1° |
| H25 | C20 | C21 | H26 | 0.5° | 6.7° |
| H27 | C25 | C26 | H28 | 0.3° | 1.1° |
| H31 | C30 | C31 | H33 | 116.2° | 163.0° |
| H31 | C30 | C31 | H34 | 125.6° | 41.3° |
| H32 | C30 | C31 | H33 | 3.1° | 78.9° |
| H32 | C30 | C31 | H34 | 115.2° | 159.4° |
| H33 | C31 | C32 | H35 | 155.4° | 175.7° |
| H33 | C31 | C32 | H36 | 37.1° | 64.8° |
| H34 | C31 | C32 | H35 | 86.4° | 54.5° |
| H34 | C31 | C32 | H36 | 155.3° | 174.0° |
| H35 | C32 | C33 | H37 | 156.1° | 1.2° |
| H35 | C32 | C33 | H38 | 84.5° | 117.7° |
| H36 | C32 | C33 | H37 | 37.8° | 118.2° |
| H36 | C32 | C33 | H38 | 157.2° | 122.9° |
| H6 | C4 | C5 | H8 | 52.1° | 54.2° |
| H6 | C4 | C5 | H9 | 173.7° | 176.2° |
| H7 | C4 | C5 | H8 | 66.8° | 64.1° |
| H7 | C4 | C5 | H9 | 54.7° | 57.9° |
