A1D9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| C1 | O2 | sing | 1.35Å | 1.35Å | |
| O2 | C2 | sing | 1.45Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| C6 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C21 | sing | 1.47Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C24 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C25 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.54Å | 1.52Å | |
| C24 | O3 | doub | 1.21Å | 1.24Å | |
| C21 | C27 | sing | 1.51Å | 1.52Å | |
| C27 | N5 | doub | 1.28Å | 1.29Å | |
| C20 | O4 | doub | 1.21Å | 1.23Å | |
| C11 | O5 | doub | 1.21Å | 1.23Å | |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C26 | sing | 1.55Å | 1.52Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 126.4° | 120.0° |
| O1 | C1 | N1 | 123.9° | 120.0° |
| C1 | O2 | C2 | 122.5° | 117.0° |
| O2 | C1 | N1 | 109.7° | 120.0° |
| O2 | C2 | C3 | 105.6° | 109.5° |
| O2 | C2 | C4 | 108.4° | 109.5° |
| O2 | C2 | C5 | 109.0° | 109.5° |
| C3 | C2 | C4 | 111.0° | 109.5° |
| C3 | C2 | C5 | 111.0° | 109.5° |
| C2 | C3 | H1 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C4 | C2 | C5 | 111.6° | 109.5° |
| C2 | C4 | H5 | 109.5° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.4° |
| C2 | C4 | H6 | 109.5° | 109.5° |
| C2 | C5 | H8 | 109.5° | 109.5° |
| C2 | C5 | H9 | 109.4° | 109.5° |
| C2 | C5 | H7 | 109.4° | 109.5° |
| C1 | N1 | C6 | 120.3° | 120.0° |
| C1 | N1 | H10 | 119.9° | 120.0° |
| N1 | C6 | C7 | 112.5° | 109.5° |
| N1 | C6 | C11 | 112.1° | 109.5° |
| C6 | N1 | H10 | 119.9° | 119.9° |
| N1 | C6 | H11 | 107.0° | 109.4° |
| C6 | C7 | C8 | 111.1° | 109.5° |
| C6 | C7 | C9 | 109.9° | 109.4° |
| C6 | C7 | C10 | 109.7° | 109.4° |
| C7 | C6 | C11 | 112.8° | 109.5° |
| C7 | C6 | H11 | 105.8° | 109.5° |
| C8 | C7 | C9 | 108.8° | 109.5° |
| C8 | C7 | C10 | 108.6° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.4° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C9 | C7 | C10 | 108.7° | 109.5° |
| C7 | C9 | H15 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.5° | 109.5° |
| C7 | C9 | H16 | 109.4° | 109.5° |
| C7 | C10 | H20 | 109.5° | 109.5° |
| C7 | C10 | H18 | 109.5° | 109.5° |
| C7 | C10 | H19 | 109.5° | 109.5° |
| C6 | C11 | N2 | 116.3° | 120.0° |
| C6 | C11 | O5 | 120.6° | 120.0° |
| C11 | C6 | H11 | 106.1° | 109.4° |
| C11 | N2 | C12 | 120.5° | 120.0° |
| N2 | C11 | O5 | 123.2° | 120.0° |
| C11 | N2 | H21 | 119.8° | 120.0° |
| N2 | C12 | C13 | 111.1° | 109.5° |
| N2 | C12 | C20 | 111.8° | 109.4° |
| N2 | C12 | H22 | 108.5° | 109.4° |
| C12 | N2 | H21 | 119.8° | 120.0° |
| C12 | C13 | C14 | 111.8° | 109.4° |
| C13 | C12 | C20 | 110.1° | 109.5° |
| C12 | C13 | H23 | 108.9° | 109.5° |
| C12 | C13 | H24 | 108.9° | 109.4° |
| C13 | C12 | H22 | 107.6° | 109.5° |
| C13 | C14 | C15 | 121.0° | 120.0° |
| C13 | C14 | C19 | 120.7° | 120.0° |
| C14 | C13 | H23 | 108.9° | 109.5° |
| C14 | C13 | H24 | 108.9° | 109.5° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C15 | C14 | C19 | 118.4° | 120.1° |
| C14 | C15 | H25 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H25 | 119.6° | 120.0° |
| C15 | C16 | H26 | 119.9° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C16 | C17 | H27 | 120.1° | 120.0° |
| C17 | C16 | H26 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H27 | 120.1° | 120.0° |
| C17 | C18 | H28 | 119.9° | 120.0° |
| C18 | C19 | C14 | 120.8° | 119.9° |
| C19 | C18 | H28 | 119.9° | 119.9° |
| C18 | C19 | H29 | 119.6° | 120.0° |
| C12 | C20 | N3 | 116.1° | 119.9° |
| C12 | C20 | O4 | 120.7° | 120.0° |
| C20 | C12 | H22 | 107.6° | 109.5° |
| C20 | N3 | C21 | 121.9° | 120.0° |
| N3 | C20 | O4 | 123.2° | 120.1° |
| C20 | N3 | H30 | 119.1° | 120.0° |
| N3 | C21 | C22 | 111.1° | 109.5° |
| N3 | C21 | C27 | 110.8° | 109.5° |
| C21 | N3 | H30 | 119.1° | 120.0° |
| N3 | C21 | H31 | 108.6° | 109.4° |
| C21 | C22 | C23 | 112.2° | 109.5° |
| C22 | C21 | C27 | 110.8° | 109.5° |
| C22 | C21 | H31 | 107.6° | 109.5° |
| C21 | C22 | H32 | 108.8° | 109.5° |
| C21 | C22 | H33 | 108.8° | 109.4° |
| C22 | C23 | C24 | 113.8° | 110.5° |
| C22 | C23 | C26 | 115.8° | 110.5° |
| C23 | C22 | H32 | 108.8° | 109.5° |
| C23 | C22 | H33 | 108.8° | 109.5° |
| C22 | C23 | H34 | 108.0° | 110.6° |
| C23 | C24 | N4 | 108.4° | 110.1° |
| C23 | C24 | O3 | 125.6° | 124.9° |
| C24 | C23 | C26 | 102.5° | 104.2° |
| C24 | C23 | H34 | 108.2° | 110.5° |
| C24 | N4 | C25 | 113.2° | 111.3° |
| N4 | C24 | O3 | 126.0° | 125.0° |
| C24 | N4 | H35 | 123.4° | 124.3° |
| N4 | C25 | C26 | 102.0° | 105.5° |
| N4 | C25 | H36 | 111.3° | 110.3° |
| N4 | C25 | H37 | 111.3° | 110.3° |
| C25 | N4 | H35 | 123.4° | 124.4° |
| C25 | C26 | C23 | 103.4° | 101.8° |
| C25 | C26 | H38 | 111.0° | 111.0° |
| C25 | C26 | H39 | 111.0° | 111.0° |
| C26 | C25 | H36 | 111.3° | 110.2° |
| C26 | C25 | H37 | 111.3° | 110.2° |
| C21 | C27 | N5 | 122.4° | 120.0° |
| C27 | C21 | H31 | 107.8° | 109.5° |
| C21 | C27 | H40 | 118.8° | 120.0° |
| N5 | C27 | H40 | 118.8° | 120.0° |
| C27 | N5 | H41 | 112.0° | 120.0° |
| C14 | C19 | H29 | 119.6° | 120.0° |
| C23 | C26 | H38 | 111.0° | 111.0° |
| C23 | C26 | H39 | 111.0° | 111.0° |
| C26 | C23 | H34 | 108.2° | 110.4° |
| H5 | C4 | H4 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H7 | 109.5° | 109.5° |
| H9 | C5 | H7 | 109.5° | 109.4° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C8 | H13 | 109.5° | 109.5° |
| H20 | C10 | H18 | 109.5° | 109.5° |
| H20 | C10 | H19 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.5° | 110.8° |
| H36 | C25 | H37 | 109.5° | 110.2° |
| H1 | C3 | H3 | 109.5° | 109.5° |
| H1 | C3 | H2 | 109.4° | 109.5° |
| H3 | C3 | H2 | 109.5° | 109.4° |
| H15 | C9 | H17 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | C9 | H16 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 179.4° | 179.7° |
| O1 | C1 | O2 | C2 | 5.1° | 0.0° |
| O1 | C1 | N1 | C6 | 0.3° | 0.0° |
| O1 | C1 | N1 | H10 | 179.7° | 180.0° |
| C1 | O2 | C2 | C3 | 179.3° | 60.0° |
| C1 | O2 | C2 | C4 | 60.3° | 180.0° |
| C1 | O2 | C2 | C5 | 61.4° | 60.0° |
| O2 | C1 | N1 | C6 | 179.1° | 179.8° |
| O2 | C1 | N1 | H10 | 0.9° | 0.3° |
| O2 | C2 | C3 | C4 | 117.3° | 120.0° |
| O2 | C2 | C3 | C5 | 117.9° | 120.0° |
| O2 | C2 | C4 | C5 | 120.0° | 120.0° |
| C2 | O2 | C1 | N1 | 174.3° | 179.8° |
| O2 | C2 | C4 | H5 | 180.0° | 60.0° |
| O2 | C2 | C4 | H4 | 60.0° | 59.9° |
| O2 | C2 | C4 | H6 | 60.0° | 180.0° |
| O2 | C2 | C5 | H8 | 180.0° | 60.0° |
| O2 | C2 | C5 | H9 | 60.0° | 180.0° |
| O2 | C2 | C5 | H7 | 60.0° | 60.0° |
| O2 | C2 | C3 | H1 | 180.0° | 60.0° |
| O2 | C2 | C3 | H3 | 60.0° | 60.1° |
| O2 | C2 | C3 | H2 | 60.0° | 180.0° |
| C3 | C2 | C4 | C5 | 124.5° | 120.0° |
| C3 | C2 | C4 | H5 | 64.5° | 180.0° |
| C3 | C2 | C4 | H4 | 175.6° | 60.0° |
| C3 | C2 | C4 | H6 | 55.5° | 60.0° |
| C3 | C2 | C5 | H8 | 64.1° | 60.0° |
| C3 | C2 | C5 | H9 | 55.9° | 60.0° |
| C3 | C2 | C5 | H7 | 175.9° | 180.0° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | H2 | 120.0° | 120.0° |
| C2 | C4 | H5 | H4 | 120.0° | 119.9° |
| C2 | C4 | H5 | H6 | 120.0° | 120.1° |
| C2 | C4 | H4 | H6 | 120.0° | 120.0° |
| C4 | C2 | C5 | H8 | 60.3° | 180.0° |
| C4 | C2 | C5 | H9 | 179.7° | 60.0° |
| C4 | C2 | C5 | H7 | 59.7° | 60.0° |
| C4 | C2 | C3 | H1 | 62.7° | 60.0° |
| C4 | C2 | C3 | H3 | 57.3° | 180.0° |
| C4 | C2 | C3 | H2 | 177.3° | 60.0° |
| C5 | C2 | C4 | H5 | 60.0° | 60.0° |
| C5 | C2 | C4 | H4 | 60.0° | 179.9° |
| C5 | C2 | C4 | H6 | 180.0° | 60.0° |
| C2 | C5 | H8 | H9 | 120.0° | 120.0° |
| C2 | C5 | H8 | H7 | 120.0° | 120.1° |
| C2 | C5 | H9 | H7 | 120.0° | 120.0° |
| C5 | C2 | C3 | H1 | 62.1° | 180.0° |
| C5 | C2 | C3 | H3 | 177.9° | 60.0° |
| C5 | C2 | C3 | H2 | 57.9° | 60.0° |
| C1 | N1 | C6 | H10 | 180.0° | 180.0° |
| C1 | N1 | C6 | C7 | 117.4° | 85.0° |
| C1 | N1 | C6 | C11 | 114.2° | 155.0° |
| C1 | N1 | C6 | H11 | 1.7° | 35.0° |
| N1 | C6 | C7 | C11 | 128.0° | 120.0° |
| N1 | C6 | C7 | H11 | 116.5° | 120.0° |
| N1 | C6 | C7 | C8 | 62.1° | 66.2° |
| N1 | C6 | C7 | C9 | 177.5° | 53.8° |
| N1 | C6 | C7 | C10 | 58.0° | 173.8° |
| N1 | C6 | C11 | H11 | 116.4° | 119.9° |
| N1 | C6 | C11 | N2 | 124.3° | 166.8° |
| N1 | C6 | C11 | O5 | 54.6° | 13.3° |
| C6 | C7 | C8 | C9 | 121.0° | 120.0° |
| C6 | C7 | C8 | C10 | 120.8° | 120.0° |
| C6 | C7 | C9 | C10 | 120.1° | 120.0° |
| C7 | C6 | C11 | H11 | 115.4° | 120.0° |
| C7 | C6 | C11 | N2 | 107.5° | 73.2° |
| C7 | C6 | C11 | O5 | 73.6° | 106.7° |
| C7 | C6 | N1 | H10 | 62.6° | 95.0° |
| C6 | C7 | C8 | H12 | 180.0° | 60.0° |
| C6 | C7 | C8 | H14 | 60.0° | 60.0° |
| C6 | C7 | C8 | H13 | 60.0° | 180.0° |
| C6 | C7 | C10 | H20 | 180.0° | 67.7° |
| C6 | C7 | C10 | H18 | 60.0° | 172.3° |
| C6 | C7 | C10 | H19 | 60.0° | 52.3° |
| C6 | C7 | C9 | H15 | 180.0° | 60.0° |
| C6 | C7 | C9 | H17 | 60.0° | 60.0° |
| C6 | C7 | C9 | H16 | 60.0° | 180.0° |
| C8 | C7 | C9 | C10 | 118.1° | 120.0° |
| C8 | C7 | C6 | C11 | 65.9° | 53.8° |
| C8 | C7 | C6 | H11 | 178.5° | 173.8° |
| C7 | C8 | H12 | H14 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C7 | C8 | H14 | H13 | 120.0° | 120.0° |
| C8 | C7 | C10 | H20 | 58.4° | 172.3° |
| C8 | C7 | C10 | H18 | 178.4° | 52.3° |
| C8 | C7 | C10 | H19 | 61.6° | 67.7° |
| C8 | C7 | C9 | H15 | 58.2° | 60.0° |
| C8 | C7 | C9 | H17 | 61.8° | 180.0° |
| C8 | C7 | C9 | H16 | 178.2° | 60.0° |
| C9 | C7 | C6 | C11 | 54.5° | 173.8° |
| C9 | C7 | C6 | H11 | 61.1° | 66.2° |
| C9 | C7 | C8 | H12 | 59.0° | 180.0° |
| C9 | C7 | C8 | H14 | 179.0° | 60.0° |
| C9 | C7 | C8 | H13 | 61.1° | 60.0° |
| C9 | C7 | C10 | H20 | 59.8° | 52.2° |
| C9 | C7 | C10 | H18 | 60.2° | 67.8° |
| C9 | C7 | C10 | H19 | 179.8° | 172.3° |
| C7 | C9 | H15 | H17 | 120.0° | 120.0° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| C7 | C9 | H17 | H16 | 119.9° | 120.0° |
| C10 | C7 | C6 | C11 | 174.0° | 66.2° |
| C10 | C7 | C6 | H11 | 58.4° | 53.8° |
| C10 | C7 | C8 | H12 | 59.2° | 60.0° |
| C10 | C7 | C8 | H14 | 60.8° | 180.0° |
| C10 | C7 | C8 | H13 | 179.2° | 60.0° |
| C7 | C10 | H20 | H18 | 120.0° | 120.0° |
| C7 | C10 | H20 | H19 | 120.0° | 120.1° |
| C7 | C10 | H18 | H19 | 120.0° | 120.0° |
| C10 | C7 | C9 | H15 | 59.9° | 180.0° |
| C10 | C7 | C9 | H17 | 179.9° | 59.9° |
| C10 | C7 | C9 | H16 | 60.1° | 60.0° |
| C6 | C11 | N2 | O5 | 178.9° | 179.9° |
| C6 | C11 | N2 | C12 | 172.8° | 176.5° |
| C11 | C6 | N1 | H10 | 65.8° | 25.0° |
| C6 | C11 | N2 | H21 | 7.2° | 3.6° |
| C11 | N2 | C12 | H21 | 180.0° | 179.9° |
| C11 | N2 | C12 | C13 | 164.5° | 85.0° |
| C11 | N2 | C12 | C20 | 72.0° | 155.0° |
| N2 | C11 | C6 | H11 | 7.9° | 46.8° |
| C11 | N2 | C12 | H22 | 46.5° | 35.1° |
| N2 | C12 | C13 | C20 | 124.4° | 120.0° |
| N2 | C12 | C13 | H22 | 118.6° | 120.0° |
| N2 | C12 | C13 | C14 | 179.7° | 65.0° |
| N2 | C12 | C20 | H22 | 119.1° | 119.9° |
| N2 | C12 | C20 | N3 | 124.1° | 180.0° |
| N2 | C12 | C20 | O4 | 56.7° | 0.0° |
| C12 | N2 | C11 | O5 | 8.3° | 3.5° |
| N2 | C12 | C13 | H23 | 59.9° | 55.0° |
| N2 | C12 | C13 | H24 | 59.4° | 175.0° |
| C12 | C13 | C14 | H23 | 120.4° | 120.0° |
| C12 | C13 | C14 | H24 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 98.2° | 90.0° |
| C13 | C12 | C20 | H22 | 117.0° | 120.1° |
| C13 | C12 | C20 | N3 | 112.0° | 60.0° |
| C13 | C12 | C20 | O4 | 67.3° | 120.0° |
| C12 | C13 | C14 | C19 | 80.3° | 90.3° |
| C12 | C13 | H23 | H24 | 118.9° | 120.0° |
| C13 | C12 | N2 | H21 | 15.5° | 95.0° |
| C13 | C14 | C15 | C19 | 178.6° | 179.7° |
| C13 | C14 | C15 | C16 | 179.4° | 180.0° |
| C13 | C14 | C19 | C18 | 179.0° | 179.9° |
| C14 | C13 | C12 | C20 | 55.3° | 175.0° |
| C14 | C13 | H23 | H24 | 119.0° | 120.0° |
| C13 | C14 | C15 | H25 | 0.7° | 0.0° |
| C14 | C13 | C12 | H22 | 61.6° | 55.0° |
| C13 | C14 | C19 | H29 | 0.9° | 0.0° |
| C14 | C15 | C16 | H25 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.1° |
| C15 | C14 | C19 | C18 | 0.4° | 0.2° |
| C15 | C14 | C13 | H23 | 141.4° | 30.0° |
| C15 | C14 | C13 | H24 | 22.1° | 150.0° |
| C14 | C15 | C16 | H26 | 179.5° | 180.0° |
| C15 | C14 | C19 | H29 | 179.6° | 179.7° |
| C15 | C16 | C17 | H26 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.2° |
| C16 | C15 | C14 | C19 | 0.7° | 0.3° |
| C15 | C16 | C17 | H27 | 179.9° | 180.0° |
| C16 | C17 | C18 | H27 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.5° | 0.3° |
| C17 | C16 | C15 | H25 | 179.5° | 180.0° |
| C16 | C17 | C18 | H28 | 179.5° | 179.8° |
| C17 | C18 | C19 | H28 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.2° | 0.1° |
| C18 | C17 | C16 | H26 | 179.9° | 179.7° |
| C17 | C18 | C19 | H29 | 179.9° | 180.0° |
| C18 | C19 | C14 | H29 | 180.0° | 179.9° |
| C19 | C18 | C17 | H27 | 179.6° | 179.9° |
| C12 | C20 | N3 | O4 | 179.2° | 180.0° |
| C12 | C20 | N3 | C21 | 178.3° | 180.0° |
| C12 | C20 | N3 | H30 | 1.7° | 0.1° |
| C20 | C12 | C13 | H23 | 175.7° | 65.0° |
| C20 | C12 | C13 | H24 | 65.0° | 55.1° |
| C20 | C12 | N2 | H21 | 108.0° | 25.0° |
| C20 | N3 | C21 | H30 | 180.0° | 179.9° |
| C20 | N3 | C21 | C22 | 129.8° | 155.0° |
| C20 | N3 | C21 | C27 | 106.6° | 85.0° |
| C20 | N3 | C21 | H31 | 11.6° | 35.1° |
| N3 | C20 | C12 | H22 | 5.0° | 60.0° |
| N3 | C21 | C22 | C27 | 123.6° | 120.1° |
| N3 | C21 | C22 | H31 | 118.8° | 119.9° |
| N3 | C21 | C22 | C23 | 66.0° | 64.9° |
| N3 | C21 | C27 | H31 | 118.7° | 120.0° |
| N3 | C21 | C27 | N5 | 155.3° | 0.0° |
| C21 | N3 | C20 | O4 | 0.9° | 0.1° |
| N3 | C21 | C22 | H32 | 54.3° | 175.0° |
| N3 | C21 | C22 | H33 | 173.6° | 55.0° |
| N3 | C21 | C27 | H40 | 24.7° | 180.0° |
| C21 | C22 | C23 | H32 | 120.4° | 120.0° |
| C21 | C22 | C23 | H33 | 120.4° | 119.9° |
| C21 | C22 | C23 | C24 | 168.7° | 66.4° |
| C22 | C21 | C27 | H31 | 117.5° | 120.0° |
| C22 | C21 | C27 | N5 | 80.9° | 120.1° |
| C21 | C22 | C23 | C26 | 72.8° | 178.8° |
| C22 | C21 | N3 | H30 | 50.2° | 25.1° |
| C21 | C22 | H32 | H33 | 118.8° | 119.9° |
| C21 | C22 | C23 | H34 | 48.6° | 56.2° |
| C22 | C21 | C27 | H40 | 99.1° | 60.0° |
| C22 | C23 | C24 | C26 | 125.8° | 118.7° |
| C22 | C23 | C24 | H34 | 120.1° | 122.7° |
| C22 | C23 | C24 | N4 | 143.5° | 102.4° |
| C22 | C23 | C26 | C25 | 154.3° | 93.9° |
| C22 | C23 | C24 | O3 | 37.8° | 77.7° |
| C23 | C22 | C21 | C27 | 170.4° | 175.0° |
| C22 | C23 | C26 | H34 | 121.4° | 122.6° |
| C23 | C22 | C21 | H31 | 52.8° | 55.0° |
| C23 | C22 | H32 | H33 | 118.8° | 120.0° |
| C22 | C23 | C26 | H38 | 86.7° | 148.0° |
| C22 | C23 | C26 | H39 | 35.3° | 24.3° |
| C23 | C24 | N4 | O3 | 178.7° | 179.9° |
| C23 | C24 | N4 | C25 | 2.6° | 0.4° |
| C24 | C23 | C26 | C25 | 29.8° | 24.8° |
| C24 | C23 | C26 | H34 | 114.2° | 118.7° |
| C24 | C23 | C22 | H32 | 48.3° | 173.5° |
| C24 | C23 | C22 | H33 | 70.9° | 53.5° |
| C24 | C23 | C26 | H38 | 148.9° | 93.3° |
| C24 | C23 | C26 | H39 | 89.2° | 143.0° |
| C23 | C24 | N4 | H35 | 177.4° | 179.5° |
| C24 | N4 | C25 | H35 | 180.0° | 179.9° |
| C24 | N4 | C25 | C26 | 21.7° | 17.0° |
| N4 | C24 | C23 | C26 | 17.7° | 16.2° |
| N4 | C24 | C23 | H34 | 96.4° | 134.9° |
| C24 | N4 | C25 | H36 | 97.1° | 102.0° |
| C24 | N4 | C25 | H37 | 140.5° | 136.0° |
| N4 | C25 | C26 | H36 | 118.8° | 119.0° |
| N4 | C25 | C26 | H37 | 118.8° | 119.1° |
| C25 | N4 | C24 | O3 | 176.1° | 179.7° |
| N4 | C25 | C26 | C23 | 31.1° | 25.4° |
| N4 | C25 | C26 | H38 | 150.2° | 92.7° |
| N4 | C25 | C26 | H39 | 87.9° | 143.6° |
| N4 | C25 | H36 | H37 | 123.4° | 122.1° |
| C25 | C26 | C23 | H38 | 119.0° | 118.1° |
| C25 | C26 | C23 | H39 | 119.0° | 118.2° |
| C25 | C26 | H38 | H39 | 122.8° | 123.8° |
| C25 | C26 | C23 | H34 | 84.3° | 143.4° |
| C26 | C25 | H36 | H37 | 123.5° | 121.9° |
| C26 | C25 | N4 | H35 | 158.3° | 162.9° |
| O3 | C24 | C23 | C26 | 163.6° | 163.7° |
| O3 | C24 | C23 | H34 | 82.2° | 45.0° |
| O3 | C24 | N4 | H35 | 3.9° | 0.4° |
| C21 | C27 | N5 | H40 | 180.0° | 180.0° |
| C27 | C21 | N3 | H30 | 73.5° | 94.9° |
| C27 | C21 | C22 | H32 | 69.3° | 54.9° |
| C27 | C21 | C22 | H33 | 49.9° | 65.0° |
| C21 | C27 | N5 | H41 | 180.0° | 180.0° |
| N5 | C27 | C21 | H31 | 36.6° | 119.9° |
| O4 | C20 | N3 | H30 | 179.1° | 179.9° |
| O4 | C20 | C12 | H22 | 175.8° | 120.0° |
| O5 | C11 | C6 | H11 | 171.1° | 133.2° |
| O5 | C11 | N2 | H21 | 171.7° | 176.5° |
| C19 | C14 | C13 | H23 | 40.0° | 149.7° |
| C19 | C14 | C13 | H24 | 159.3° | 29.7° |
| C19 | C14 | C15 | H25 | 179.3° | 179.7° |
| C14 | C19 | C18 | H28 | 179.8° | 180.0° |
| C26 | C23 | C22 | H32 | 166.8° | 58.8° |
| C26 | C23 | C22 | H33 | 47.6° | 61.3° |
| C23 | C26 | H38 | H39 | 122.8° | 123.8° |
| C23 | C26 | C25 | H36 | 87.7° | 93.6° |
| C23 | C26 | C25 | H37 | 149.9° | 144.5° |
| H10 | N1 | C6 | H11 | 178.3° | 145.0° |
| H30 | N3 | C21 | H31 | 168.4° | 145.1° |
| H5 | C4 | H4 | H6 | 120.0° | 120.0° |
| H8 | C5 | H9 | H7 | 120.0° | 120.0° |
| H12 | C8 | H14 | H13 | 120.0° | 120.0° |
| H20 | C10 | H18 | H19 | 120.0° | 120.0° |
| H23 | C13 | C12 | H22 | 58.7° | 175.0° |
| H24 | C13 | C12 | H22 | 178.0° | 65.0° |
| H25 | C15 | C16 | H26 | 0.5° | 0.0° |
| H27 | C17 | C16 | H26 | 0.1° | 0.1° |
| H27 | C17 | C18 | H28 | 0.5° | 0.0° |
| H31 | C21 | C22 | H32 | 173.1° | 65.1° |
| H31 | C21 | C22 | H33 | 67.7° | 175.0° |
| H31 | C21 | C27 | H40 | 143.4° | 60.0° |
| H32 | C22 | C23 | H34 | 71.8° | 63.8° |
| H33 | C22 | C23 | H34 | 169.0° | 176.2° |
| H38 | C26 | C23 | H34 | 34.7° | 25.3° |
| H38 | C26 | C25 | H36 | 31.4° | 148.3° |
| H38 | C26 | C25 | H37 | 91.1° | 26.4° |
| H39 | C26 | C23 | H34 | 156.7° | 98.4° |
| H39 | C26 | C25 | H36 | 153.3° | 24.5° |
| H39 | C26 | C25 | H37 | 30.9° | 97.3° |
| H22 | C12 | N2 | H21 | 133.5° | 145.0° |
| H28 | C18 | C19 | H29 | 0.2° | 0.0° |
| H36 | C25 | N4 | H35 | 82.9° | 78.1° |
| H37 | C25 | N4 | H35 | 39.5° | 43.9° |
| H40 | C27 | N5 | H41 | 0.0° | 0.0° |
| H1 | C3 | H3 | H2 | 120.0° | 120.0° |
| H15 | C9 | H17 | H16 | 120.0° | 120.0° |
