UKF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C23 | sing | 1.43Å | 1.43Å | |
| O7 | C24 | sing | 1.43Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.54Å | 1.57Å | |
| C18 | C19 | sing | 1.54Å | 1.50Å | |
| O2 | C3 | sing | 1.43Å | 1.36Å | |
| C24 | C1 | sing | 1.53Å | 1.47Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C22 | N1 | sing | 1.47Å | 1.48Å | |
| O5 | N4 | sing | 1.21Å | 1.33Å | Aromatic |
| O5 | C15 | sing | 1.34Å | 1.30Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.23Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C17 | C16 | sing | 1.54Å | 1.51Å | |
| N4 | C14 | doub | 1.31Å | 1.35Å | Aromatic |
| C19 | C16 | sing | 1.54Å | 1.56Å | |
| C4 | C5 | sing | 1.53Å | 1.59Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.51Å | 1.47Å | |
| C15 | N5 | doub | 1.31Å | 1.37Å | Aromatic |
| C14 | N5 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.54Å | |
| C20 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.45Å | Aromatic |
| C10 | N2 | sing | 1.39Å | 1.46Å | |
| C9 | N2 | sing | 1.47Å | 1.57Å | |
| C9 | C8 | sing | 1.53Å | 1.60Å | |
| C11 | N3 | sing | 1.48Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.66Å | |
| N3 | O3 | doub | 1.22Å | 1.45Å | |
| N3 | O4 | sing | 1.22Å | 1.46Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| O1 | H33 | sing | 0.97Å | 0.95Å | |
| O2 | H34 | sing | 0.97Å | 0.95Å | |
| O6 | H35 | sing | 0.97Å | 0.95Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C23 | C24 | 106.4° | 109.5° |
| O6 | C23 | C22 | 114.1° | 109.5° |
| O6 | C23 | H27 | 109.9° | 109.6° |
| C23 | O6 | H35 | 109.5° | 114.0° |
| O7 | C24 | C23 | 106.2° | 109.6° |
| O7 | C24 | C1 | 111.8° | 109.5° |
| O7 | C24 | H18 | 110.6° | 109.6° |
| C24 | O7 | H36 | 109.5° | 114.0° |
| C24 | C23 | C22 | 108.3° | 109.3° |
| C23 | C24 | C1 | 106.9° | 109.1° |
| C23 | C24 | H18 | 110.7° | 109.5° |
| C24 | C23 | H27 | 109.6° | 109.6° |
| C23 | C22 | N1 | 107.1° | 109.5° |
| C23 | C22 | H16 | 110.0° | 109.5° |
| C23 | C22 | H17 | 110.1° | 109.4° |
| C22 | C23 | H27 | 108.4° | 109.5° |
| C17 | C18 | C19 | 88.5° | 87.1° |
| C18 | C17 | C16 | 89.7° | 87.0° |
| C18 | C17 | H12 | 114.2° | 113.7° |
| C18 | C17 | H13 | 114.1° | 113.7° |
| C17 | C18 | H22 | 114.4° | 113.6° |
| C17 | C18 | H23 | 114.4° | 113.6° |
| C18 | C19 | C16 | 89.9° | 87.1° |
| C19 | C18 | H22 | 114.4° | 113.6° |
| C19 | C18 | H23 | 114.4° | 113.6° |
| C18 | C19 | H24 | 114.1° | 113.6° |
| C18 | C19 | H25 | 114.1° | 113.6° |
| O2 | C3 | C2 | 108.6° | 109.5° |
| O2 | C3 | H28 | 109.7° | 109.5° |
| O2 | C3 | H29 | 109.7° | 109.5° |
| C3 | O2 | H34 | 109.5° | 114.0° |
| C24 | C1 | O1 | 111.0° | 109.5° |
| C24 | C1 | C2 | 114.1° | 109.3° |
| C1 | C24 | H18 | 110.5° | 109.5° |
| C24 | C1 | H19 | 106.5° | 109.5° |
| O1 | C1 | C2 | 112.3° | 109.5° |
| O1 | C1 | H19 | 106.7° | 109.5° |
| C1 | O1 | H33 | 109.5° | 114.0° |
| C1 | C2 | N1 | 107.0° | 109.5° |
| C1 | C2 | C3 | 107.6° | 109.5° |
| C2 | C1 | H19 | 105.6° | 109.5° |
| C1 | C2 | H26 | 110.1° | 109.5° |
| C22 | N1 | C4 | 114.5° | 111.0° |
| C22 | N1 | C2 | 109.1° | 111.2° |
| N1 | C22 | H16 | 110.1° | 109.5° |
| N1 | C22 | H17 | 110.1° | 109.5° |
| N4 | O5 | C15 | 112.1° | 110.1° |
| O5 | N4 | C14 | 105.6° | 110.1° |
| O5 | C15 | C16 | 127.7° | 126.4° |
| O5 | C15 | N5 | 106.8° | 107.1° |
| C4 | N1 | C2 | 115.1° | 111.0° |
| N1 | C4 | C5 | 109.1° | 109.5° |
| N1 | C4 | H2 | 109.6° | 109.4° |
| N1 | C4 | H3 | 109.6° | 109.5° |
| N1 | C2 | C3 | 110.8° | 109.4° |
| N1 | C2 | H26 | 111.0° | 109.4° |
| C17 | C16 | C19 | 88.5° | 87.1° |
| C17 | C16 | C15 | 117.5° | 113.6° |
| C16 | C17 | H12 | 114.1° | 113.6° |
| C16 | C17 | H13 | 114.2° | 113.6° |
| C17 | C16 | H21 | 112.3° | 113.6° |
| N4 | C14 | N5 | 109.2° | 107.2° |
| N4 | C14 | C13 | 124.8° | 126.4° |
| C19 | C16 | C15 | 111.8° | 113.7° |
| C19 | C16 | H21 | 111.5° | 113.7° |
| C16 | C19 | H24 | 114.1° | 113.6° |
| C16 | C19 | H25 | 114.1° | 113.6° |
| C4 | C5 | C6 | 114.1° | 109.4° |
| C5 | C4 | H2 | 109.6° | 109.5° |
| C5 | C4 | H3 | 109.6° | 109.5° |
| C4 | C5 | H4 | 108.3° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C3 | C2 | H26 | 110.2° | 109.4° |
| C2 | C3 | H28 | 109.7° | 109.5° |
| C2 | C3 | H29 | 109.7° | 109.4° |
| C16 | C15 | N5 | 125.4° | 126.5° |
| C15 | C16 | H21 | 112.8° | 112.8° |
| C15 | N5 | C14 | 106.3° | 105.6° |
| N5 | C14 | C13 | 125.9° | 126.4° |
| C14 | C13 | C20 | 121.3° | 120.0° |
| C14 | C13 | C12 | 116.8° | 120.1° |
| C13 | C20 | C21 | 118.5° | 119.9° |
| C20 | C13 | C12 | 121.8° | 119.9° |
| C13 | C20 | H14 | 120.8° | 120.0° |
| C20 | C21 | C10 | 120.7° | 120.1° |
| C21 | C20 | H14 | 120.8° | 120.1° |
| C20 | C21 | H15 | 119.6° | 119.9° |
| C5 | C6 | C7 | 114.6° | 109.4° |
| C6 | C5 | H4 | 108.3° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C5 | C6 | H7 | 108.2° | 109.4° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C13 | C12 | H20 | 120.3° | 120.0° |
| C21 | C10 | C11 | 119.1° | 120.1° |
| C21 | C10 | N2 | 120.9° | 120.0° |
| C10 | C21 | H15 | 119.7° | 120.0° |
| C6 | C7 | C8 | 109.9° | 109.4° |
| C7 | C6 | H6 | 108.1° | 109.5° |
| C7 | C6 | H7 | 108.2° | 109.5° |
| C6 | C7 | H8 | 109.4° | 109.5° |
| C6 | C7 | H9 | 109.4° | 109.4° |
| C12 | C11 | C10 | 120.4° | 120.0° |
| C12 | C11 | N3 | 116.0° | 120.0° |
| C11 | C12 | H20 | 120.3° | 120.0° |
| C11 | C10 | N2 | 120.0° | 119.9° |
| C10 | C11 | N3 | 123.5° | 120.0° |
| C10 | N2 | C9 | 125.0° | 120.0° |
| C10 | N2 | H32 | 105.4° | 120.0° |
| N2 | C9 | C8 | 113.9° | 109.4° |
| N2 | C9 | H30 | 108.4° | 109.5° |
| N2 | C9 | H31 | 108.3° | 109.4° |
| C9 | N2 | H32 | 105.5° | 120.0° |
| C9 | C8 | C7 | 113.3° | 109.4° |
| C9 | C8 | H10 | 108.5° | 109.5° |
| C9 | C8 | H11 | 108.5° | 109.5° |
| C8 | C9 | H30 | 108.4° | 109.5° |
| C8 | C9 | H31 | 108.3° | 109.5° |
| C11 | N3 | O3 | 119.7° | 120.0° |
| C11 | N3 | O4 | 116.4° | 120.0° |
| C8 | C7 | H8 | 109.4° | 109.5° |
| C8 | C7 | H9 | 109.4° | 109.5° |
| C7 | C8 | H10 | 108.5° | 109.5° |
| C7 | C8 | H11 | 108.5° | 109.5° |
| O3 | N3 | O4 | 124.0° | 120.0° |
| H2 | C4 | H3 | 109.4° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 112.9° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 112.9° |
| H24 | C19 | H25 | 109.4° | 112.9° |
| H28 | C3 | H29 | 109.5° | 109.4° |
| H30 | C9 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C23 | C24 | O7 | 54.4° | 62.5° |
| O6 | C23 | C24 | C22 | 123.1° | 119.9° |
| O6 | C23 | C24 | H27 | 118.8° | 120.2° |
| O6 | C23 | C22 | H27 | 122.8° | 120.1° |
| O6 | C23 | C24 | C1 | 173.9° | 177.6° |
| O6 | C23 | C22 | N1 | 173.8° | 179.1° |
| O6 | C23 | C22 | H16 | 54.2° | 59.1° |
| O6 | C23 | C22 | H17 | 66.5° | 60.9° |
| O6 | C23 | C24 | H18 | 65.7° | 57.7° |
| O7 | C24 | C23 | C1 | 119.5° | 119.9° |
| O7 | C24 | C23 | H18 | 120.1° | 120.2° |
| O7 | C24 | C23 | C22 | 177.5° | 177.6° |
| O7 | C24 | C1 | H18 | 123.6° | 120.2° |
| O7 | C24 | C1 | O1 | 57.0° | 62.5° |
| O7 | C24 | C1 | C2 | 175.0° | 177.6° |
| O7 | C24 | C1 | H19 | 58.8° | 57.7° |
| O7 | C24 | C23 | H27 | 64.4° | 57.6° |
| C24 | C23 | C22 | H27 | 118.9° | 120.0° |
| C23 | C24 | C1 | H18 | 120.5° | 119.9° |
| C23 | C24 | C1 | O1 | 172.8° | 177.6° |
| C23 | C24 | C1 | C2 | 59.1° | 57.7° |
| C24 | C23 | C22 | N1 | 67.9° | 59.2° |
| C24 | C23 | C22 | H16 | 172.4° | 60.8° |
| C24 | C23 | C22 | H17 | 51.7° | 179.2° |
| C23 | C24 | C1 | H19 | 57.0° | 62.3° |
| C24 | C23 | O6 | H35 | 180.0° | 180.0° |
| C23 | C24 | O7 | H36 | 180.0° | 60.4° |
| C22 | C23 | C24 | C1 | 63.0° | 57.7° |
| C23 | C22 | N1 | H16 | 119.6° | 120.0° |
| C23 | C22 | N1 | H17 | 119.6° | 120.0° |
| C23 | C22 | N1 | C4 | 164.3° | 174.1° |
| C23 | C22 | N1 | C2 | 65.0° | 61.8° |
| C23 | C22 | H16 | H17 | 121.1° | 120.0° |
| C22 | C23 | C24 | H18 | 57.4° | 62.2° |
| C22 | C23 | O6 | H35 | 60.7° | 60.3° |
| C17 | C18 | C19 | H22 | 116.3° | 114.6° |
| C17 | C18 | C19 | H23 | 116.3° | 114.6° |
| C18 | C17 | C16 | H12 | 116.5° | 114.6° |
| C18 | C17 | C16 | H13 | 116.5° | 114.6° |
| C17 | C18 | C19 | C16 | 13.5° | 25.4° |
| C18 | C17 | C16 | C15 | 100.4° | 89.2° |
| C18 | C17 | H12 | H13 | 129.4° | 131.4° |
| C18 | C17 | C16 | H21 | 126.2° | 140.1° |
| C17 | C18 | H22 | H23 | 130.0° | 131.2° |
| C17 | C18 | C19 | H24 | 130.1° | 89.1° |
| C17 | C18 | C19 | H25 | 103.0° | 139.9° |
| C18 | C19 | C16 | H24 | 116.5° | 114.5° |
| C18 | C19 | C16 | H25 | 116.5° | 114.6° |
| C18 | C19 | C16 | C15 | 105.1° | 89.1° |
| C19 | C18 | C17 | H12 | 102.4° | 140.0° |
| C19 | C18 | C17 | H13 | 130.6° | 89.1° |
| C18 | C19 | C16 | H21 | 127.6° | 140.0° |
| C19 | C18 | H22 | H23 | 129.9° | 131.2° |
| C18 | C19 | H24 | H25 | 129.2° | 131.3° |
| O2 | C3 | C2 | C1 | 66.9° | 56.8° |
| O2 | C3 | C2 | N1 | 49.8° | 63.2° |
| O2 | C3 | C2 | H28 | 119.9° | 120.1° |
| O2 | C3 | C2 | H29 | 119.9° | 119.9° |
| O2 | C3 | C2 | H26 | 173.0° | 176.9° |
| O2 | C3 | H28 | H29 | 120.4° | 120.0° |
| C24 | C1 | O1 | C2 | 129.0° | 119.8° |
| C24 | C1 | O1 | H19 | 115.7° | 120.1° |
| C24 | C1 | C2 | H19 | 116.7° | 120.0° |
| C24 | C1 | C2 | N1 | 56.0° | 59.2° |
| C24 | C1 | C2 | C3 | 175.1° | 179.2° |
| C24 | C1 | C2 | H26 | 64.7° | 60.8° |
| C1 | C24 | C23 | H27 | 55.1° | 62.3° |
| C24 | C1 | O1 | H33 | 180.0° | 59.9° |
| C1 | C24 | O7 | H36 | 63.7° | 180.0° |
| O1 | C1 | C2 | H19 | 115.9° | 120.1° |
| O1 | C1 | C2 | N1 | 176.6° | 179.1° |
| O1 | C1 | C2 | C3 | 57.5° | 60.9° |
| O1 | C1 | C24 | H18 | 66.7° | 57.7° |
| O1 | C1 | C2 | H26 | 62.7° | 59.1° |
| C1 | C2 | N1 | C22 | 57.7° | 61.8° |
| C1 | C2 | N1 | C4 | 171.9° | 174.1° |
| C1 | C2 | N1 | C3 | 117.1° | 120.0° |
| C1 | C2 | N1 | H26 | 120.2° | 120.1° |
| C1 | C2 | C3 | H26 | 120.1° | 120.1° |
| C2 | C1 | C24 | H18 | 61.4° | 62.2° |
| C1 | C2 | C3 | H28 | 53.0° | 176.9° |
| C1 | C2 | C3 | H29 | 173.2° | 63.1° |
| C2 | C1 | O1 | H33 | 50.9° | 179.7° |
| C22 | N1 | C4 | C2 | 127.7° | 124.2° |
| C22 | N1 | C4 | C5 | 73.7° | 64.5° |
| C22 | N1 | C2 | C3 | 174.8° | 178.2° |
| C22 | N1 | C4 | H2 | 166.4° | 55.5° |
| C22 | N1 | C4 | H3 | 46.3° | 175.5° |
| N1 | C22 | H16 | H17 | 121.1° | 120.0° |
| C22 | N1 | C2 | H26 | 62.4° | 58.3° |
| N1 | C22 | C23 | H27 | 51.0° | 60.8° |
| N4 | O5 | C15 | C16 | 178.7° | 180.0° |
| N4 | O5 | C15 | N5 | 0.4° | 0.3° |
| O5 | N4 | C14 | N5 | 2.0° | 0.0° |
| O5 | N4 | C14 | C13 | 178.9° | 179.8° |
| O5 | C15 | C16 | C17 | 25.5° | 59.7° |
| C15 | O5 | N4 | C14 | 1.0° | 0.1° |
| O5 | C15 | C16 | C19 | 74.7° | 37.8° |
| O5 | C15 | C16 | N5 | 178.0° | 179.7° |
| O5 | C15 | N5 | C14 | 1.6° | 0.3° |
| O5 | C15 | C16 | H21 | 158.6° | 169.1° |
| N1 | C4 | C5 | H2 | 120.0° | 120.0° |
| N1 | C4 | C5 | H3 | 120.0° | 120.0° |
| C4 | N1 | C2 | C3 | 54.9° | 54.1° |
| N1 | C4 | C5 | C6 | 169.9° | 180.0° |
| N1 | C4 | H2 | H3 | 120.2° | 120.0° |
| N1 | C4 | C5 | H4 | 49.2° | 60.0° |
| N1 | C4 | C5 | H5 | 69.4° | 60.0° |
| C4 | N1 | C22 | H16 | 44.7° | 65.9° |
| C4 | N1 | C22 | H17 | 76.0° | 54.1° |
| C4 | N1 | C2 | H26 | 67.9° | 65.8° |
| C2 | N1 | C4 | C5 | 54.0° | 171.3° |
| N1 | C2 | C3 | H26 | 123.2° | 119.9° |
| C2 | N1 | C4 | H2 | 65.9° | 68.7° |
| C2 | N1 | C4 | H3 | 174.0° | 51.3° |
| C2 | N1 | C22 | H16 | 175.4° | 58.2° |
| C2 | N1 | C22 | H17 | 54.7° | 178.2° |
| N1 | C2 | C1 | H19 | 60.7° | 60.8° |
| N1 | C2 | C3 | H28 | 169.7° | 56.9° |
| N1 | C2 | C3 | H29 | 70.1° | 176.8° |
| C17 | C16 | C19 | C15 | 119.2° | 114.5° |
| C17 | C16 | C19 | H21 | 113.5° | 114.6° |
| C17 | C16 | C15 | H21 | 133.2° | 131.1° |
| C17 | C16 | C15 | N5 | 156.5° | 120.0° |
| C16 | C17 | H12 | H13 | 129.4° | 131.2° |
| C16 | C17 | C18 | H22 | 102.2° | 89.1° |
| C16 | C17 | C18 | H23 | 130.3° | 140.0° |
| C17 | C16 | C19 | H24 | 130.6° | 89.1° |
| C17 | C16 | C19 | H25 | 102.4° | 140.0° |
| N4 | C14 | N5 | C15 | 2.2° | 0.2° |
| N4 | C14 | N5 | C13 | 176.9° | 179.8° |
| N4 | C14 | C13 | C20 | 5.7° | 179.8° |
| N4 | C14 | C13 | C12 | 171.9° | 0.2° |
| C19 | C16 | C15 | H21 | 126.6° | 131.3° |
| C19 | C16 | C15 | N5 | 103.3° | 142.5° |
| C19 | C16 | C17 | H12 | 103.0° | 140.0° |
| C19 | C16 | C17 | H13 | 130.0° | 89.2° |
| C16 | C19 | C18 | H22 | 102.7° | 89.2° |
| C16 | C19 | C18 | H23 | 129.8° | 140.0° |
| C16 | C19 | H24 | H25 | 129.3° | 131.2° |
| C4 | C5 | C6 | H4 | 120.7° | 120.0° |
| C4 | C5 | C6 | H5 | 120.7° | 120.0° |
| C4 | C5 | C6 | C7 | 173.4° | NaN° |
| C5 | C4 | H2 | H3 | 120.2° | 120.1° |
| C4 | C5 | H4 | H5 | 117.9° | 120.0° |
| C4 | C5 | C6 | H6 | 65.8° | 60.0° |
| C4 | C5 | C6 | H7 | 52.7° | 60.0° |
| C3 | C2 | C1 | H19 | 58.5° | 59.2° |
| C2 | C3 | H28 | H29 | 120.4° | 120.0° |
| C2 | C3 | O2 | H34 | 180.0° | 180.0° |
| C16 | C15 | N5 | C14 | 179.9° | 179.9° |
| C15 | C16 | C17 | H12 | 143.1° | 25.4° |
| C15 | C16 | C17 | H13 | 16.1° | 156.2° |
| C15 | C16 | C19 | H24 | 11.5° | 156.4° |
| C15 | C16 | C19 | H25 | 138.4° | 25.4° |
| C15 | N5 | C14 | C13 | 179.1° | 180.0° |
| N5 | C15 | C16 | H21 | 23.4° | 11.1° |
| N5 | C14 | C13 | C20 | 177.9° | 0.5° |
| N5 | C14 | C13 | C12 | 4.5° | 180.0° |
| C14 | C13 | C20 | C12 | 177.4° | 179.6° |
| C14 | C13 | C20 | C21 | 177.0° | 179.8° |
| C14 | C13 | C12 | C11 | 177.5° | 180.0° |
| C14 | C13 | C20 | H14 | 3.0° | 0.4° |
| C14 | C13 | C12 | H20 | 2.5° | 0.4° |
| C13 | C20 | C21 | H14 | 180.0° | 179.4° |
| C13 | C20 | C21 | C10 | 1.1° | 0.4° |
| C20 | C13 | C12 | C11 | 0.1° | 0.4° |
| C13 | C20 | C21 | H15 | 178.9° | 179.6° |
| C20 | C13 | C12 | H20 | 179.9° | 180.0° |
| C21 | C20 | C13 | C12 | 0.4° | 0.6° |
| C20 | C21 | C10 | H15 | 180.0° | 180.0° |
| C20 | C21 | C10 | C11 | 1.3° | 0.0° |
| C20 | C21 | C10 | N2 | 178.6° | 179.7° |
| C5 | C6 | C7 | H6 | 120.8° | 120.0° |
| C5 | C6 | C7 | H7 | 120.8° | 120.0° |
| C5 | C6 | C7 | C8 | 169.7° | NaN° |
| C6 | C5 | C4 | H2 | 70.2° | 60.0° |
| C6 | C5 | C4 | H3 | 49.9° | 60.0° |
| C6 | C5 | H4 | H5 | 117.9° | 120.1° |
| C5 | C6 | H6 | H7 | 117.7° | 120.0° |
| C5 | C6 | C7 | H8 | 70.3° | 60.0° |
| C5 | C6 | C7 | H9 | 49.6° | 60.0° |
| C13 | C12 | C11 | H20 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | N3 | 179.2° | 180.0° |
| C12 | C13 | C20 | H14 | 179.6° | 180.0° |
| C21 | C10 | C11 | C12 | 1.0° | 0.2° |
| C21 | C10 | C11 | N2 | 179.9° | 179.7° |
| C21 | C10 | N2 | C9 | 21.3° | 4.7° |
| C21 | C10 | C11 | N3 | 179.7° | 179.8° |
| C10 | C21 | C20 | H14 | 178.9° | 179.8° |
| C21 | C10 | N2 | H32 | 100.8° | 175.3° |
| C6 | C7 | C8 | C9 | 48.1° | NaN° |
| C6 | C7 | C8 | H8 | 120.1° | 120.0° |
| C6 | C7 | C8 | H9 | 120.1° | 119.9° |
| C7 | C6 | C5 | H4 | 52.7° | 60.0° |
| C7 | C6 | C5 | H5 | 65.9° | 60.0° |
| C7 | C6 | H6 | H7 | 117.6° | 120.1° |
| C6 | C7 | H8 | H9 | 119.8° | 120.0° |
| C6 | C7 | C8 | H10 | 72.5° | 60.0° |
| C6 | C7 | C8 | H11 | 168.7° | 60.0° |
| C12 | C11 | C10 | N3 | 178.7° | 180.0° |
| C12 | C11 | C10 | N2 | 179.0° | 180.0° |
| C12 | C11 | N3 | O3 | 74.9° | 38.0° |
| C12 | C11 | N3 | O4 | 103.9° | 142.0° |
| C11 | C10 | N2 | C9 | 158.6° | 175.5° |
| C10 | C11 | N3 | O3 | 106.3° | 142.0° |
| C10 | C11 | N3 | O4 | 74.9° | 38.0° |
| C11 | C10 | C21 | H15 | 178.7° | 180.0° |
| C10 | C11 | C12 | H20 | 179.7° | 179.6° |
| C11 | C10 | N2 | H32 | 79.3° | 4.4° |
| C10 | N2 | C9 | H32 | 122.1° | 179.9° |
| C10 | N2 | C9 | C8 | 172.8° | 180.0° |
| N2 | C10 | C11 | N3 | 0.2° | 0.0° |
| N2 | C10 | C21 | H15 | 1.4° | 0.3° |
| C10 | N2 | C9 | H30 | 66.6° | 60.0° |
| C10 | N2 | C9 | H31 | 52.1° | 60.0° |
| N2 | C9 | C8 | H30 | 120.7° | 120.0° |
| N2 | C9 | C8 | H31 | 120.6° | 119.9° |
| N2 | C9 | C8 | C7 | 157.2° | 180.0° |
| N2 | C9 | C8 | H10 | 36.7° | 60.0° |
| N2 | C9 | C8 | H11 | 82.2° | 60.0° |
| N2 | C9 | H30 | H31 | 118.0° | 120.0° |
| C9 | C8 | C7 | H10 | 120.6° | 120.0° |
| C9 | C8 | C7 | H11 | 120.6° | 120.0° |
| C9 | C8 | C7 | H8 | 72.0° | 60.0° |
| C9 | C8 | C7 | H9 | 168.2° | 60.1° |
| C9 | C8 | H10 | H11 | 118.3° | 120.0° |
| C8 | C9 | H30 | H31 | 118.0° | 120.1° |
| C8 | C9 | N2 | H32 | 50.7° | 0.1° |
| C11 | N3 | O3 | O4 | 178.7° | 180.0° |
| N3 | C11 | C12 | H20 | 0.8° | 0.5° |
| C8 | C7 | C6 | H6 | 48.9° | 60.0° |
| C8 | C7 | C6 | H7 | 69.5° | 60.0° |
| C8 | C7 | H8 | H9 | 119.8° | 120.0° |
| C7 | C8 | H10 | H11 | 118.2° | 120.1° |
| C7 | C8 | C9 | H30 | 82.1° | 60.0° |
| C7 | C8 | C9 | H31 | 36.6° | 60.1° |
| H2 | C4 | C5 | H4 | 169.2° | 180.0° |
| H2 | C4 | C5 | H5 | 50.5° | 60.0° |
| H3 | C4 | C5 | H4 | 70.8° | 60.0° |
| H3 | C4 | C5 | H5 | 170.6° | 180.0° |
| H4 | C5 | C6 | H6 | 173.5° | 180.0° |
| H4 | C5 | C6 | H7 | 68.0° | 60.0° |
| H5 | C5 | C6 | H6 | 54.8° | 60.0° |
| H5 | C5 | C6 | H7 | 173.3° | 180.0° |
| H6 | C6 | C7 | H8 | 169.0° | 180.0° |
| H6 | C6 | C7 | H9 | 71.2° | 59.9° |
| H7 | C6 | C7 | H8 | 50.5° | 60.0° |
| H7 | C6 | C7 | H9 | 170.4° | 180.0° |
| H8 | C7 | C8 | H10 | 167.5° | 180.0° |
| H8 | C7 | C8 | H11 | 48.6° | 59.9° |
| H9 | C7 | C8 | H10 | 47.6° | 59.9° |
| H9 | C7 | C8 | H11 | 71.3° | 180.0° |
| H10 | C8 | C9 | H30 | 157.3° | 180.0° |
| H10 | C8 | C9 | H31 | 84.0° | 59.9° |
| H11 | C8 | C9 | H30 | 38.5° | 60.0° |
| H11 | C8 | C9 | H31 | 157.2° | 179.9° |
| H12 | C17 | C16 | H21 | 9.7° | 105.3° |
| H12 | C17 | C18 | H22 | 141.3° | 25.4° |
| H12 | C17 | C18 | H23 | 13.8° | 105.5° |
| H13 | C17 | C16 | H21 | 117.3° | 25.5° |
| H13 | C17 | C18 | H22 | 14.3° | 156.4° |
| H13 | C17 | C18 | H23 | 113.2° | 25.5° |
| H14 | C20 | C21 | H15 | 1.1° | 0.2° |
| H16 | C22 | C23 | H27 | 68.7° | 179.2° |
| H17 | C22 | C23 | H27 | 170.6° | 59.2° |
| H18 | C24 | C1 | H19 | 177.5° | 177.8° |
| H18 | C24 | C23 | H27 | 175.5° | 177.9° |
| H18 | C24 | O7 | H36 | 59.9° | 59.8° |
| H19 | C1 | C2 | H26 | 178.6° | 179.2° |
| H19 | C1 | O1 | H33 | 64.4° | 60.2° |
| H21 | C16 | C19 | H24 | 115.9° | 25.4° |
| H21 | C16 | C19 | H25 | 11.0° | 105.5° |
| H22 | C18 | C19 | H24 | 13.8° | 156.3° |
| H22 | C18 | C19 | H25 | 140.7° | 25.3° |
| H23 | C18 | C19 | H24 | 113.6° | 25.5° |
| H23 | C18 | C19 | H25 | 13.2° | 105.5° |
| H26 | C2 | C3 | H28 | 67.1° | 63.1° |
| H26 | C2 | C3 | H29 | 53.1° | 56.9° |
| H27 | C23 | O6 | H35 | 61.4° | 59.8° |
| H28 | C3 | O2 | H34 | 60.1° | 59.9° |
| H29 | C3 | O2 | H34 | 60.1° | 60.1° |
| H30 | C9 | N2 | H32 | 171.4° | 120.0° |
| H31 | C9 | N2 | H32 | 69.9° | 120.0° |
