4R7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C20 | sing | 1.43Å | 1.42Å | |
| O2 | C11 | sing | 1.35Å | 1.33Å | |
| O2 | C12 | sing | 1.45Å | 1.45Å | |
| O6 | C21 | sing | 1.43Å | 1.42Å | |
| C11 | O3 | doub | 1.22Å | 1.21Å | |
| C11 | C1 | sing | 1.48Å | 1.49Å | |
| C6 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| O4 | C13 | doub | 1.22Å | 1.23Å | |
| C10 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.55Å | 1.55Å | |
| C20 | C19 | sing | 1.55Å | 1.53Å | |
| C1 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C2 | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.43Å | Aromatic |
| C4 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.37Å | |
| C13 | N2 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | N1 | sing | 1.40Å | 1.42Å | |
| C3 | O1 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | O7 | sing | 1.44Å | 1.44Å | |
| C18 | C29 | sing | 1.53Å | 1.52Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C29 | N4 | sing | 1.47Å | 1.46Å | |
| N3 | C17 | sing | 1.38Å | 1.34Å | |
| N3 | C28 | sing | 1.46Å | 1.46Å | |
| C22 | O7 | sing | 1.44Å | 1.41Å | |
| C22 | N6 | sing | 1.47Å | 1.46Å | |
| N4 | C17 | sing | 1.37Å | 1.34Å | |
| C16 | C28 | sing | 1.53Å | 1.51Å | |
| C17 | N5 | doub | 1.30Å | 1.29Å | |
| N6 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| N6 | C27 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C27 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C27 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| N10 | C26 | sing | 1.32Å | 1.34Å | Aromatic |
| N7 | C24 | sing | 1.36Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C25 | N9 | sing | 1.33Å | 1.35Å | Aromatic |
| C25 | N8 | sing | 1.38Å | 1.33Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.08Å | 1.08Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| N3 | H29 | sing | 0.97Å | 1.00Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| N8 | H32 | sing | 0.97Å | 1.00Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| O1 | H34 | sing | 0.97Å | 0.95Å | |
| O5 | H35 | sing | 0.97Å | 0.95Å | |
| O6 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C20 | C21 | 111.9° | 110.5° |
| O5 | C20 | C19 | 109.2° | 110.5° |
| O5 | C20 | H13 | 111.6° | 110.6° |
| C20 | O5 | H35 | 109.5° | 114.0° |
| C11 | O2 | C12 | 115.7° | 117.1° |
| O2 | C11 | O3 | 123.2° | 120.0° |
| O2 | C11 | C1 | 112.5° | 120.0° |
| O2 | C12 | H4 | 109.5° | 109.5° |
| O2 | C12 | H5 | 109.4° | 109.4° |
| O2 | C12 | H6 | 109.5° | 109.5° |
| O6 | C21 | C20 | 112.0° | 110.5° |
| O6 | C21 | C22 | 110.5° | 110.5° |
| O6 | C21 | H21 | 111.8° | 110.6° |
| C21 | O6 | H36 | 109.5° | 114.0° |
| O3 | C11 | C1 | 124.4° | 120.0° |
| C11 | C1 | C6 | 121.6° | 119.7° |
| C11 | C1 | C2 | 118.2° | 119.7° |
| C1 | C6 | C5 | 121.1° | 119.6° |
| C6 | C1 | C2 | 120.2° | 120.6° |
| C1 | C6 | H2 | 119.5° | 120.2° |
| C6 | C5 | C10 | 122.3° | 120.9° |
| C6 | C5 | C4 | 119.0° | 119.5° |
| C5 | C6 | H2 | 119.5° | 120.2° |
| O4 | C13 | N1 | 123.8° | 120.0° |
| O4 | C13 | N2 | 122.5° | 120.0° |
| C5 | C10 | C9 | 120.8° | 119.9° |
| C10 | C5 | C4 | 118.7° | 119.6° |
| C5 | C10 | H3 | 119.6° | 120.1° |
| C10 | C9 | C8 | 121.2° | 120.9° |
| C9 | C10 | H3 | 119.6° | 120.0° |
| C10 | C9 | H26 | 119.4° | 119.5° |
| C21 | C20 | C19 | 104.0° | 104.0° |
| C20 | C21 | C22 | 101.9° | 104.1° |
| C21 | C20 | H13 | 109.8° | 110.5° |
| C20 | C21 | H21 | 110.0° | 110.5° |
| C20 | C19 | C18 | 117.1° | 110.3° |
| C20 | C19 | O7 | 105.9° | 104.8° |
| C19 | C20 | H13 | 109.9° | 110.5° |
| C20 | C19 | H20 | 107.6° | 110.4° |
| C1 | C2 | C3 | 120.5° | 120.7° |
| C1 | C2 | H1 | 119.8° | 119.6° |
| C5 | C4 | C3 | 118.2° | 119.7° |
| C5 | C4 | C7 | 118.4° | 119.4° |
| C9 | C8 | C7 | 119.4° | 120.7° |
| C9 | C8 | N1 | 123.3° | 119.7° |
| C8 | C9 | H26 | 119.4° | 119.6° |
| C21 | C22 | O7 | 104.4° | 104.8° |
| C21 | C22 | N6 | 116.1° | 110.4° |
| C21 | C22 | H14 | 108.3° | 110.5° |
| C22 | C21 | H21 | 110.2° | 110.5° |
| C2 | C3 | C4 | 121.1° | 119.9° |
| C2 | C3 | O1 | 122.8° | 120.0° |
| C3 | C2 | H1 | 119.7° | 119.6° |
| C3 | C4 | C7 | 123.4° | 120.9° |
| C4 | C3 | O1 | 116.1° | 120.1° |
| C4 | C7 | C8 | 121.4° | 119.6° |
| C4 | C7 | H25 | 119.3° | 120.2° |
| N1 | C13 | N2 | 113.8° | 120.0° |
| C13 | N1 | C8 | 128.1° | 120.0° |
| C13 | N1 | H27 | 116.0° | 120.0° |
| C13 | N2 | C14 | 122.0° | 120.0° |
| C13 | N2 | H28 | 119.0° | 120.0° |
| C7 | C8 | N1 | 117.2° | 119.7° |
| C8 | C7 | H25 | 119.3° | 120.2° |
| C8 | N1 | H27 | 116.0° | 120.0° |
| C3 | O1 | H34 | 109.5° | 114.0° |
| C16 | C15 | C14 | 115.6° | 109.4° |
| C15 | C16 | C28 | 114.7° | 109.4° |
| C16 | C15 | H7 | 107.9° | 109.5° |
| C16 | C15 | H8 | 107.9° | 109.5° |
| C15 | C16 | H9 | 108.2° | 109.5° |
| C15 | C16 | H10 | 108.2° | 109.5° |
| C15 | C14 | N2 | 111.8° | 109.5° |
| C14 | C15 | H7 | 107.9° | 109.4° |
| C14 | C15 | H8 | 107.9° | 109.5° |
| C15 | C14 | H18 | 108.9° | 109.5° |
| C15 | C14 | H19 | 108.9° | 109.5° |
| C18 | C19 | O7 | 109.5° | 110.4° |
| C19 | C18 | C29 | 112.7° | 109.4° |
| C19 | C18 | H11 | 108.6° | 109.4° |
| C19 | C18 | H12 | 108.7° | 109.5° |
| C18 | C19 | H20 | 107.8° | 110.3° |
| C19 | O7 | C22 | 105.6° | 105.3° |
| O7 | C19 | H20 | 108.8° | 110.5° |
| C18 | C29 | N4 | 112.4° | 109.4° |
| C29 | C18 | H11 | 108.7° | 109.5° |
| C29 | C18 | H12 | 108.7° | 109.5° |
| C18 | C29 | H16 | 108.7° | 109.5° |
| C18 | C29 | H17 | 108.7° | 109.5° |
| N2 | C14 | H18 | 108.9° | 109.5° |
| N2 | C14 | H19 | 108.9° | 109.4° |
| C14 | N2 | H28 | 119.0° | 120.0° |
| C29 | N4 | C17 | 123.1° | 120.0° |
| N4 | C29 | H16 | 108.7° | 109.5° |
| N4 | C29 | H17 | 108.7° | 109.4° |
| C29 | N4 | H30 | 118.5° | 120.0° |
| C17 | N3 | C28 | 123.3° | 120.0° |
| N3 | C17 | N4 | 118.8° | 120.0° |
| N3 | C17 | N5 | 123.1° | 120.0° |
| C17 | N3 | H29 | 118.3° | 120.0° |
| N3 | C28 | C16 | 112.4° | 109.5° |
| N3 | C28 | H23 | 108.7° | 109.5° |
| N3 | C28 | H24 | 108.7° | 109.5° |
| C28 | N3 | H29 | 118.4° | 120.0° |
| O7 | C22 | N6 | 108.6° | 110.4° |
| O7 | C22 | H14 | 110.0° | 110.4° |
| C22 | N6 | C23 | 127.4° | 126.3° |
| C22 | N6 | C27 | 126.9° | 126.3° |
| N6 | C22 | H14 | 109.2° | 110.3° |
| N4 | C17 | N5 | 118.1° | 120.0° |
| C17 | N4 | H30 | 118.4° | 120.0° |
| C28 | C16 | H9 | 108.2° | 109.4° |
| C28 | C16 | H10 | 108.2° | 109.5° |
| C16 | C28 | H23 | 108.7° | 109.4° |
| C16 | C28 | H24 | 108.7° | 109.5° |
| C17 | N5 | H31 | 112.0° | 120.0° |
| C23 | N6 | C27 | 105.6° | 107.4° |
| N6 | C23 | N7 | 114.1° | 110.0° |
| N6 | C23 | H22 | 123.0° | 125.0° |
| N6 | C27 | N10 | 127.5° | 134.9° |
| N6 | C27 | C24 | 105.8° | 106.0° |
| C23 | N7 | C24 | 103.7° | 109.5° |
| N7 | C23 | H22 | 122.9° | 125.0° |
| N10 | C27 | C24 | 126.6° | 119.0° |
| C27 | N10 | C26 | 111.2° | 120.7° |
| C27 | C24 | N7 | 110.7° | 107.1° |
| C27 | C24 | C25 | 116.8° | 118.2° |
| N10 | C26 | N9 | 128.7° | 122.4° |
| N10 | C26 | H15 | 115.7° | 118.7° |
| N7 | C24 | C25 | 132.5° | 134.7° |
| C24 | C25 | N9 | 117.8° | 118.4° |
| C24 | C25 | N8 | 123.9° | 120.8° |
| C26 | N9 | C25 | 118.8° | 121.2° |
| N9 | C26 | H15 | 115.6° | 118.8° |
| N9 | C25 | N8 | 118.3° | 120.8° |
| C25 | N8 | H32 | 109.5° | 120.0° |
| C25 | N8 | H33 | 109.5° | 120.0° |
| H4 | C12 | H5 | 109.5° | 109.4° |
| H4 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.4° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H32 | N8 | H33 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C20 | C21 | O6 | 15.5° | 0.0° |
| O5 | C20 | C21 | C19 | 117.8° | 118.6° |
| O5 | C20 | C21 | H13 | 124.6° | 122.7° |
| O5 | C20 | C19 | H13 | 122.8° | 122.7° |
| O5 | C20 | C21 | C22 | 102.6° | 118.6° |
| O5 | C20 | C19 | C18 | 108.2° | 98.5° |
| O5 | C20 | C19 | O7 | 129.4° | 142.6° |
| O5 | C20 | C19 | H20 | 13.3° | 23.6° |
| O5 | C20 | C21 | H21 | 140.5° | 122.8° |
| O2 | C11 | O3 | C1 | 179.2° | 180.0° |
| O2 | C11 | C1 | C6 | 1.8° | 179.7° |
| O2 | C11 | C1 | C2 | 178.7° | 0.0° |
| C11 | O2 | C12 | H4 | 180.0° | 60.0° |
| C11 | O2 | C12 | H5 | 60.0° | 59.9° |
| C11 | O2 | C12 | H6 | 60.0° | 180.0° |
| C12 | O2 | C11 | O3 | 70.3° | 0.0° |
| C12 | O2 | C11 | C1 | 110.4° | 180.0° |
| O2 | C12 | H4 | H5 | 120.0° | 119.9° |
| O2 | C12 | H4 | H6 | 120.0° | 120.0° |
| O2 | C12 | H5 | H6 | 120.0° | 120.0° |
| O6 | C21 | C20 | C22 | 118.1° | 118.6° |
| O6 | C21 | C20 | H21 | 125.0° | 122.8° |
| O6 | C21 | C20 | C19 | 133.3° | 118.6° |
| O6 | C21 | C22 | H21 | 124.1° | 122.7° |
| O6 | C21 | C22 | O7 | 155.3° | 142.6° |
| O6 | C21 | C22 | N6 | 85.2° | 98.5° |
| O6 | C21 | C20 | H13 | 109.1° | 122.7° |
| O6 | C21 | C22 | H14 | 38.1° | 23.8° |
| O3 | C11 | C1 | C6 | 177.6° | 0.3° |
| O3 | C11 | C1 | C2 | 2.0° | 180.0° |
| C11 | C1 | C6 | C2 | 179.6° | 179.7° |
| C11 | C1 | C6 | C5 | 179.8° | 179.7° |
| C11 | C1 | C2 | C3 | 179.5° | 179.7° |
| C11 | C1 | C2 | H1 | 0.5° | 0.3° |
| C11 | C1 | C6 | H2 | 0.3° | 0.2° |
| C1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C10 | 179.2° | 179.9° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C6 | C1 | C2 | H1 | 179.1° | 179.9° |
| C6 | C5 | C10 | C4 | 178.8° | 179.9° |
| C6 | C5 | C10 | C9 | 177.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | C7 | 178.4° | 180.0° |
| C6 | C5 | C10 | H3 | 2.2° | 0.1° |
| O4 | C13 | N1 | N2 | 180.0° | 180.0° |
| O4 | C13 | N1 | C8 | 0.5° | 4.6° |
| O4 | C13 | N2 | C14 | 51.9° | 0.0° |
| O4 | C13 | N1 | H27 | 179.5° | 175.5° |
| O4 | C13 | N2 | H28 | 128.1° | 180.0° |
| C5 | C10 | C9 | H3 | 180.0° | 179.9° |
| C5 | C10 | C9 | C8 | 0.3° | 0.1° |
| C10 | C5 | C4 | C3 | 179.2° | 180.0° |
| C10 | C5 | C4 | C7 | 0.5° | 0.1° |
| C10 | C5 | C6 | H2 | 0.8° | 0.1° |
| C5 | C10 | C9 | H26 | 179.7° | 179.9° |
| C9 | C10 | C5 | C4 | 1.0° | 0.1° |
| C10 | C9 | C8 | H26 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 1.0° | 0.0° |
| C10 | C9 | C8 | N1 | 175.3° | 179.9° |
| C21 | C20 | C19 | H13 | 117.6° | 118.7° |
| C20 | C21 | C22 | H21 | 116.8° | 118.6° |
| C21 | C20 | C19 | C18 | 132.2° | 142.9° |
| C21 | C20 | C19 | O7 | 9.8° | 24.0° |
| C20 | C21 | C22 | O7 | 36.2° | 24.0° |
| C20 | C21 | C22 | N6 | 155.7° | 142.8° |
| C20 | C21 | C22 | H14 | 81.0° | 94.9° |
| C21 | C20 | C19 | H20 | 106.4° | 95.0° |
| C21 | C20 | O5 | H35 | 180.0° | 61.4° |
| C20 | C21 | O6 | H36 | 180.0° | 61.5° |
| C19 | C20 | C21 | C22 | 15.2° | 0.0° |
| C20 | C19 | C18 | O7 | 120.5° | 115.4° |
| C20 | C19 | C18 | H20 | 121.4° | 122.2° |
| C20 | C19 | O7 | H20 | 115.4° | 118.9° |
| C20 | C19 | C18 | C29 | 60.1° | 175.0° |
| C20 | C19 | O7 | C22 | 33.7° | 40.6° |
| C20 | C19 | C18 | H11 | 179.4° | 65.0° |
| C20 | C19 | C18 | H12 | 60.4° | 55.0° |
| C19 | C20 | C21 | H21 | 101.7° | 118.6° |
| C19 | C20 | O5 | H35 | 65.3° | 176.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C1 | C2 | C3 | O1 | 177.1° | 179.9° |
| C2 | C1 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.1° |
| C5 | C4 | C3 | C7 | 178.7° | 180.0° |
| C5 | C4 | C7 | C8 | 0.8° | 0.0° |
| C5 | C4 | C3 | O1 | 177.9° | 179.9° |
| C4 | C5 | C6 | H2 | 179.5° | 180.0° |
| C4 | C5 | C10 | H3 | 179.0° | 180.0° |
| C5 | C4 | C7 | H25 | 179.2° | 180.0° |
| C9 | C8 | C7 | C4 | 1.5° | 0.1° |
| C9 | C8 | N1 | C13 | 32.7° | 35.3° |
| C9 | C8 | C7 | N1 | 176.6° | 179.9° |
| C8 | C9 | C10 | H3 | 179.7° | 179.9° |
| C9 | C8 | C7 | H25 | 178.5° | 180.0° |
| C9 | C8 | N1 | H27 | 147.3° | 144.8° |
| C21 | C22 | O7 | C19 | 44.2° | 40.5° |
| C21 | C22 | O7 | N6 | 124.4° | 118.8° |
| C21 | C22 | O7 | H14 | 116.1° | 119.0° |
| C21 | C22 | N6 | H14 | 122.8° | 122.4° |
| C21 | C22 | N6 | C23 | 45.9° | 91.9° |
| C21 | C22 | N6 | C27 | 138.1° | 88.1° |
| C22 | C21 | C20 | H13 | 132.9° | 118.6° |
| C22 | C21 | O6 | H36 | 67.2° | 176.1° |
| C2 | C3 | C4 | O1 | 178.2° | 179.9° |
| C2 | C3 | C4 | C7 | 179.0° | 180.0° |
| C2 | C3 | O1 | H34 | 180.0° | 90.1° |
| C3 | C4 | C7 | C8 | 177.9° | 179.9° |
| C4 | C3 | C2 | H1 | 179.0° | 179.9° |
| C3 | C4 | C7 | H25 | 2.1° | 0.0° |
| C4 | C3 | O1 | H34 | 1.8° | 90.1° |
| C4 | C7 | C8 | H25 | 180.0° | 180.0° |
| C4 | C7 | C8 | N1 | 175.0° | 180.0° |
| C7 | C4 | C3 | O1 | 0.8° | 0.1° |
| C13 | N1 | C8 | C7 | 150.9° | 144.8° |
| C13 | N1 | C8 | H27 | 180.0° | 180.0° |
| N1 | C13 | N2 | C14 | 128.1° | 180.0° |
| N1 | C13 | N2 | H28 | 51.9° | 0.1° |
| N2 | C13 | N1 | C8 | 179.5° | 175.4° |
| C13 | N2 | C14 | C15 | 103.8° | 180.0° |
| C13 | N2 | C14 | H28 | 180.0° | 179.9° |
| C13 | N2 | C14 | H18 | 16.6° | 59.9° |
| C13 | N2 | C14 | H19 | 135.9° | 60.0° |
| N2 | C13 | N1 | H27 | 0.5° | 4.6° |
| C7 | C8 | C9 | H26 | 179.0° | 180.0° |
| C7 | C8 | N1 | H27 | 29.1° | 35.1° |
| N1 | C8 | C7 | H25 | 5.0° | 0.1° |
| N1 | C8 | C9 | H26 | 4.7° | 0.1° |
| O1 | C3 | C2 | H1 | 2.9° | 0.0° |
| C16 | C15 | C14 | H7 | 120.9° | 120.0° |
| C16 | C15 | C14 | H8 | 120.9° | 120.0° |
| C16 | C15 | C14 | N2 | 147.6° | 180.0° |
| C15 | C16 | C28 | N3 | 68.5° | 180.0° |
| C15 | C16 | C28 | H9 | 120.8° | 120.0° |
| C15 | C16 | C28 | H10 | 120.7° | 120.0° |
| C16 | C15 | H7 | H8 | 117.2° | 120.0° |
| C15 | C16 | H9 | H10 | 117.6° | 120.1° |
| C16 | C15 | C14 | H18 | 92.0° | 60.0° |
| C16 | C15 | C14 | H19 | 27.2° | 60.0° |
| C15 | C16 | C28 | H23 | 52.0° | 60.0° |
| C15 | C16 | C28 | H24 | 171.1° | 60.0° |
| C15 | C14 | N2 | H18 | 120.4° | 120.0° |
| C15 | C14 | N2 | H19 | 120.4° | 120.0° |
| C14 | C15 | C16 | C28 | 53.6° | 180.0° |
| C14 | C15 | H7 | H8 | 117.2° | 120.0° |
| C14 | C15 | C16 | H9 | 174.4° | 60.0° |
| C14 | C15 | C16 | H10 | 67.1° | 60.1° |
| C15 | C14 | H18 | H19 | 118.9° | 120.1° |
| C15 | C14 | N2 | H28 | 76.2° | 0.0° |
| C18 | C19 | O7 | H20 | 117.5° | 122.3° |
| C19 | C18 | C29 | H11 | 120.5° | 119.9° |
| C19 | C18 | C29 | H12 | 120.5° | 120.0° |
| C19 | C18 | C29 | N4 | 179.9° | 180.0° |
| C18 | C19 | O7 | C22 | 160.8° | 159.4° |
| C19 | C18 | H11 | H12 | 118.5° | 120.0° |
| C18 | C19 | C20 | H13 | 14.6° | 24.2° |
| C19 | C18 | C29 | H16 | 59.5° | 60.0° |
| C19 | C18 | C29 | H17 | 59.6° | 60.1° |
| O7 | C19 | C18 | C29 | 60.4° | 69.6° |
| C19 | O7 | C22 | N6 | 168.7° | 159.4° |
| O7 | C19 | C18 | H11 | 60.1° | 50.3° |
| O7 | C19 | C18 | H12 | 179.1° | 170.4° |
| O7 | C19 | C20 | H13 | 107.8° | 94.6° |
| C19 | O7 | C22 | H14 | 71.8° | 78.4° |
| C18 | C29 | N4 | H16 | 120.5° | 120.0° |
| C18 | C29 | N4 | H17 | 120.4° | 120.0° |
| C18 | C29 | N4 | C17 | 173.1° | 180.0° |
| C29 | C18 | H11 | H12 | 118.5° | 120.1° |
| C18 | C29 | H16 | H17 | 118.6° | 120.0° |
| C29 | C18 | C19 | H20 | 178.6° | 52.8° |
| C18 | C29 | N4 | H30 | 6.9° | 0.0° |
| N2 | C14 | C15 | H7 | 26.7° | 60.0° |
| N2 | C14 | C15 | H8 | 91.5° | 60.0° |
| N2 | C14 | H18 | H19 | 118.9° | 119.9° |
| C29 | N4 | C17 | N3 | 20.4° | 180.0° |
| C29 | N4 | C17 | H30 | 180.0° | 180.0° |
| C29 | N4 | C17 | N5 | 158.9° | 0.0° |
| N4 | C29 | C18 | H11 | 59.6° | 60.0° |
| N4 | C29 | C18 | H12 | 59.4° | 60.0° |
| N4 | C29 | H16 | H17 | 118.6° | 120.0° |
| C17 | N3 | C28 | H29 | 180.0° | 180.0° |
| N3 | C17 | N4 | N5 | 179.4° | 180.0° |
| C17 | N3 | C28 | C16 | 162.7° | 180.0° |
| C17 | N3 | C28 | H23 | 76.8° | 60.0° |
| C17 | N3 | C28 | H24 | 42.3° | 60.0° |
| N3 | C17 | N4 | H30 | 159.6° | 0.0° |
| N3 | C17 | N5 | H31 | 179.4° | 180.0° |
| C28 | N3 | C17 | N4 | 127.0° | 180.0° |
| N3 | C28 | C16 | H23 | 120.4° | 120.0° |
| N3 | C28 | C16 | H24 | 120.4° | 120.0° |
| C28 | N3 | C17 | N5 | 52.3° | 0.0° |
| N3 | C28 | C16 | H9 | 52.3° | 60.0° |
| N3 | C28 | C16 | H10 | 170.8° | 60.0° |
| N3 | C28 | H23 | H24 | 118.7° | 120.1° |
| O7 | C22 | N6 | H14 | 120.0° | 122.2° |
| O7 | C22 | N6 | C23 | 71.3° | 23.5° |
| O7 | C22 | N6 | C27 | 104.7° | 156.5° |
| C22 | O7 | C19 | H20 | 81.7° | 78.4° |
| O7 | C22 | C21 | H21 | 80.6° | 94.6° |
| C22 | N6 | C23 | C27 | 176.6° | 180.0° |
| C22 | N6 | C23 | N7 | 175.8° | 180.0° |
| C22 | N6 | C27 | N10 | 5.1° | 0.0° |
| C22 | N6 | C27 | C24 | 175.7° | 180.0° |
| N6 | C22 | C21 | H21 | 39.0° | 24.2° |
| C22 | N6 | C23 | H22 | 4.1° | 0.0° |
| C17 | N4 | C29 | H16 | 66.4° | 60.0° |
| C17 | N4 | C29 | H17 | 52.7° | 60.0° |
| N4 | C17 | N3 | H29 | 53.0° | 0.0° |
| N4 | C17 | N5 | H31 | 0.0° | 0.0° |
| C28 | C16 | C15 | H7 | 174.5° | 60.0° |
| C28 | C16 | C15 | H8 | 67.3° | 60.0° |
| C28 | C16 | H9 | H10 | 117.6° | 120.0° |
| C16 | C28 | H23 | H24 | 118.6° | 120.0° |
| C16 | C28 | N3 | H29 | 17.3° | 0.0° |
| N5 | C17 | N3 | H29 | 127.7° | 179.9° |
| N5 | C17 | N4 | H30 | 21.1° | 179.9° |
| N6 | C23 | N7 | H22 | 180.0° | 179.9° |
| C23 | N6 | C27 | N10 | 178.2° | 180.0° |
| C23 | N6 | C27 | C24 | 1.0° | 0.0° |
| N6 | C23 | N7 | C24 | 0.3° | 0.0° |
| C23 | N6 | C22 | H14 | 168.7° | 145.7° |
| C27 | N6 | C23 | N7 | 0.8° | 0.0° |
| N6 | C27 | N10 | C24 | 179.0° | 179.9° |
| N6 | C27 | N10 | C26 | 179.3° | 180.0° |
| N6 | C27 | C24 | N7 | 0.9° | 0.0° |
| N6 | C27 | C24 | C25 | 179.9° | 179.9° |
| C27 | N6 | C22 | H14 | 15.3° | 34.3° |
| C27 | N6 | C23 | H22 | 179.2° | 180.0° |
| C23 | N7 | C24 | C27 | 0.4° | 0.0° |
| C23 | N7 | C24 | C25 | 179.5° | 179.9° |
| N10 | C27 | C24 | N7 | 178.3° | 180.0° |
| N10 | C27 | C24 | C25 | 1.0° | 0.1° |
| C27 | N10 | C26 | N9 | 0.6° | 0.1° |
| C27 | N10 | C26 | H15 | 179.4° | 179.9° |
| C24 | C27 | N10 | C26 | 0.3° | 0.1° |
| C27 | C24 | N7 | C25 | 179.1° | 179.9° |
| C27 | C24 | C25 | N9 | 0.7° | 0.1° |
| C27 | C24 | C25 | N8 | 179.2° | 180.0° |
| N10 | C26 | N9 | H15 | 180.0° | 179.8° |
| N10 | C26 | N9 | C25 | 0.8° | 0.1° |
| N7 | C24 | C25 | N9 | 178.3° | 180.0° |
| N7 | C24 | C25 | N8 | 1.8° | 0.2° |
| C24 | N7 | C23 | H22 | 179.8° | 179.9° |
| C24 | C25 | N9 | C26 | 0.1° | 0.0° |
| C24 | C25 | N9 | N8 | 179.9° | 179.9° |
| C24 | C25 | N8 | H32 | 179.9° | 0.1° |
| C24 | C25 | N8 | H33 | 59.9° | 179.9° |
| C26 | N9 | C25 | N8 | 180.0° | 179.9° |
| C25 | N9 | C26 | H15 | 179.2° | 179.9° |
| N9 | C25 | N8 | H32 | 0.0° | 179.9° |
| N9 | C25 | N8 | H33 | 120.0° | 0.1° |
| C25 | N8 | H32 | H33 | 120.0° | 180.0° |
| H3 | C10 | C9 | H26 | 0.3° | 0.1° |
| H4 | C12 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | C16 | H9 | 64.7° | 59.9° |
| H7 | C15 | C16 | H10 | 53.7° | 180.0° |
| H7 | C15 | C14 | H18 | 147.1° | 180.0° |
| H7 | C15 | C14 | H19 | 93.7° | 60.0° |
| H8 | C15 | C16 | H9 | 53.5° | 180.0° |
| H8 | C15 | C16 | H10 | 172.0° | 60.0° |
| H8 | C15 | C14 | H18 | 28.8° | 60.0° |
| H8 | C15 | C14 | H19 | 148.1° | 180.0° |
| H9 | C16 | C28 | H23 | 172.8° | NaN° |
| H9 | C16 | C28 | H24 | 68.1° | 60.0° |
| H10 | C16 | C28 | H23 | 68.8° | 60.0° |
| H10 | C16 | C28 | H24 | 50.3° | 180.0° |
| H11 | C18 | C29 | H16 | 180.0° | 59.9° |
| H11 | C18 | C29 | H17 | 60.8° | 180.0° |
| H11 | C18 | C19 | H20 | 58.1° | 172.8° |
| H12 | C18 | C29 | H16 | 61.0° | 180.0° |
| H12 | C18 | C29 | H17 | 179.9° | 59.9° |
| H12 | C18 | C19 | H20 | 60.9° | 67.2° |
| H13 | C20 | C19 | H20 | 136.1° | 146.4° |
| H13 | C20 | C21 | H21 | 15.9° | 0.0° |
| H13 | C20 | O5 | H35 | 56.5° | 61.3° |
| H14 | C22 | C21 | H21 | 162.2° | 146.5° |
| H16 | C29 | N4 | H30 | 113.6° | 120.0° |
| H17 | C29 | N4 | H30 | 127.3° | 119.9° |
| H18 | C14 | N2 | H28 | 163.4° | 120.0° |
| H19 | C14 | N2 | H28 | 44.2° | 120.1° |
| H21 | C21 | O6 | H36 | 56.0° | 61.2° |
| H23 | C28 | N3 | H29 | 103.2° | 119.9° |
| H24 | C28 | N3 | H29 | 137.7° | 120.0° |
