W9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | sing | 1.43Å | 1.36Å | |
| C7 | C1 | sing | 1.53Å | 1.50Å | |
| O3 | C2 | sing | 1.43Å | 1.35Å | |
| C1 | O2 | sing | 1.43Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C3 | O4 | sing | 1.43Å | 1.37Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | N2 | sing | 1.47Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | doub | 1.35Å | 1.43Å | Aromatic |
| C21 | N4 | sing | 1.36Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | N1 | sing | 1.47Å | 1.42Å | |
| C4 | O5 | sing | 1.43Å | 1.37Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| N1 | C8 | sing | 1.47Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C20 | N6 | sing | 1.34Å | 1.32Å | Aromatic |
| N2 | C14 | sing | 1.40Å | 1.43Å | |
| C14 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | N4 | sing | 1.40Å | 1.44Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | N5 | sing | 1.29Å | 1.30Å | Aromatic |
| N6 | N5 | doub | 1.29Å | 1.31Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N3 | sing | 1.48Å | 1.46Å | |
| O6 | N3 | doub | 1.22Å | 1.39Å | |
| N3 | O7 | sing | 1.22Å | 1.40Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| O1 | H29 | sing | 0.97Å | 0.95Å | |
| O2 | H30 | sing | 0.97Å | 0.95Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| O5 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | C1 | 109.0° | 109.5° |
| O1 | C7 | H7 | 109.6° | 109.5° |
| O1 | C7 | H8 | 109.6° | 109.4° |
| C7 | O1 | H29 | 109.5° | 114.0° |
| C7 | C1 | O2 | 106.5° | 109.5° |
| C7 | C1 | C2 | 113.6° | 109.4° |
| C7 | C1 | C6 | 106.7° | 109.5° |
| C1 | C7 | H7 | 109.6° | 109.5° |
| C1 | C7 | H8 | 109.6° | 109.5° |
| O3 | C2 | C1 | 111.6° | 109.5° |
| O3 | C2 | C3 | 105.8° | 109.5° |
| O3 | C2 | H24 | 110.0° | 109.5° |
| C2 | O3 | H31 | 109.5° | 114.1° |
| O2 | C1 | C2 | 109.3° | 109.5° |
| O2 | C1 | C6 | 108.5° | 109.5° |
| C1 | O2 | H30 | 109.5° | 114.0° |
| C2 | C1 | C6 | 112.0° | 109.5° |
| C1 | C2 | C3 | 113.5° | 109.4° |
| C1 | C2 | H24 | 107.9° | 109.5° |
| C1 | C6 | C5 | 114.4° | 109.5° |
| C1 | C6 | H5 | 108.2° | 109.5° |
| C1 | C6 | H6 | 108.2° | 109.5° |
| C2 | C3 | O4 | 109.2° | 109.4° |
| C2 | C3 | C4 | 114.5° | 109.5° |
| C3 | C2 | H24 | 108.0° | 109.5° |
| C2 | C3 | H25 | 107.6° | 109.5° |
| C6 | C5 | C4 | 108.3° | 109.5° |
| C6 | C5 | N1 | 106.2° | 109.5° |
| C6 | C5 | H4 | 111.8° | 109.5° |
| C5 | C6 | H5 | 108.2° | 109.4° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| O4 | C3 | C4 | 108.6° | 109.5° |
| O4 | C3 | H25 | 109.4° | 109.5° |
| C3 | O4 | H32 | 109.5° | 114.0° |
| C3 | C4 | C5 | 110.4° | 109.5° |
| C3 | C4 | O5 | 110.0° | 109.5° |
| C3 | C4 | H3 | 108.9° | 109.4° |
| C4 | C3 | H25 | 107.5° | 109.5° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H22 | 120.0° | 120.0° |
| C15 | C14 | N2 | 119.7° | 120.0° |
| C15 | C14 | C19 | 121.6° | 119.9° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C16 | C17 | N4 | 118.3° | 120.0° |
| C16 | C17 | C18 | 119.5° | 120.0° |
| C17 | C16 | H22 | 119.9° | 120.0° |
| N2 | C13 | C12 | 109.3° | 109.4° |
| C13 | N2 | C14 | 120.7° | 120.0° |
| N2 | C13 | H13 | 109.5° | 109.5° |
| N2 | C13 | H14 | 109.5° | 109.5° |
| C13 | N2 | H28 | 106.6° | 120.0° |
| C13 | C12 | C11 | 111.6° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.5° | 109.4° |
| C13 | C12 | H20 | 108.9° | 109.4° |
| C13 | C12 | H21 | 108.9° | 109.5° |
| C20 | C21 | N4 | 107.2° | 106.1° |
| C21 | C20 | N6 | 104.9° | 106.5° |
| C21 | C20 | H16 | 127.6° | 126.8° |
| C20 | C21 | H17 | 126.4° | 126.9° |
| C21 | N4 | C17 | 125.2° | 126.0° |
| C21 | N4 | N5 | 107.9° | 108.1° |
| N4 | C21 | H17 | 126.4° | 127.0° |
| C4 | C5 | N1 | 105.4° | 109.5° |
| C5 | C4 | O5 | 107.7° | 109.5° |
| C5 | C4 | H3 | 108.9° | 109.5° |
| C4 | C5 | H4 | 111.7° | 109.5° |
| C5 | N1 | C8 | 112.6° | 111.0° |
| C5 | N1 | H1 | 108.7° | 111.0° |
| N1 | C5 | H4 | 113.1° | 109.4° |
| O5 | C4 | H3 | 110.8° | 109.4° |
| C4 | O5 | H33 | 109.5° | 114.1° |
| C8 | C9 | C10 | 112.7° | 109.5° |
| C9 | C8 | N1 | 105.6° | 109.5° |
| C9 | C8 | H9 | 110.4° | 109.4° |
| C9 | C8 | H10 | 110.4° | 109.4° |
| C8 | C9 | H26 | 108.6° | 109.5° |
| C8 | C9 | H27 | 108.7° | 109.4° |
| C9 | C10 | C11 | 108.7° | 109.5° |
| C9 | C10 | H11 | 109.7° | 109.5° |
| C9 | C10 | H12 | 109.6° | 109.5° |
| C10 | C9 | H26 | 108.7° | 109.5° |
| C10 | C9 | H27 | 108.7° | 109.5° |
| C8 | N1 | H1 | 108.7° | 111.0° |
| N1 | C8 | H9 | 110.4° | 109.5° |
| N1 | C8 | H10 | 110.4° | 109.5° |
| C12 | C11 | C10 | 111.4° | 109.5° |
| C12 | C11 | H18 | 109.0° | 109.5° |
| C12 | C11 | H19 | 109.0° | 109.5° |
| C11 | C12 | H20 | 108.9° | 109.4° |
| C11 | C12 | H21 | 108.9° | 109.5° |
| C11 | C10 | H11 | 109.7° | 109.5° |
| C11 | C10 | H12 | 109.7° | 109.5° |
| C10 | C11 | H18 | 109.0° | 109.5° |
| C10 | C11 | H19 | 109.0° | 109.5° |
| C20 | N6 | N5 | 108.7° | 109.0° |
| N6 | C20 | H16 | 127.6° | 126.6° |
| N2 | C14 | C19 | 118.7° | 120.0° |
| C14 | N2 | H28 | 106.6° | 120.0° |
| C14 | C19 | C18 | 117.9° | 120.0° |
| C14 | C19 | N3 | 118.8° | 120.0° |
| N4 | C17 | C18 | 122.2° | 120.0° |
| C17 | N4 | N5 | 126.9° | 125.9° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C17 | C18 | H23 | 119.6° | 119.9° |
| N4 | N5 | N6 | 111.4° | 110.2° |
| C18 | C19 | N3 | 123.2° | 120.0° |
| C19 | C18 | H23 | 119.6° | 120.0° |
| C19 | N3 | O6 | 119.1° | 120.0° |
| C19 | N3 | O7 | 122.2° | 120.0° |
| O6 | N3 | O7 | 118.7° | 120.0° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.4° |
| H26 | C9 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | C1 | H7 | 119.9° | 120.0° |
| O1 | C7 | C1 | H8 | 119.9° | 120.0° |
| O1 | C7 | C1 | O2 | 164.6° | 65.0° |
| O1 | C7 | C1 | C2 | 75.1° | 55.0° |
| O1 | C7 | C1 | C6 | 48.9° | 175.0° |
| O1 | C7 | H7 | H8 | 120.2° | 120.0° |
| C7 | C1 | C2 | O3 | 76.8° | 60.0° |
| C7 | C1 | O2 | C2 | 123.1° | 120.0° |
| C7 | C1 | O2 | C6 | 114.5° | 120.0° |
| C7 | C1 | C2 | C6 | 121.0° | 120.0° |
| C7 | C1 | C2 | C3 | 163.8° | 180.0° |
| C7 | C1 | C6 | C5 | 175.8° | 180.0° |
| C7 | C1 | C6 | H5 | 63.5° | 60.0° |
| C7 | C1 | C6 | H6 | 55.1° | 60.0° |
| C1 | C7 | H7 | H8 | 120.2° | 120.0° |
| C7 | C1 | C2 | H24 | 44.1° | 60.0° |
| C1 | C7 | O1 | H29 | 180.0° | 180.0° |
| C7 | C1 | O2 | H30 | 180.0° | 60.0° |
| O3 | C2 | C1 | O2 | 41.9° | 60.0° |
| O3 | C2 | C1 | C3 | 119.4° | 120.0° |
| O3 | C2 | C1 | H24 | 121.0° | 120.0° |
| O3 | C2 | C1 | C6 | 162.1° | 180.0° |
| O3 | C2 | C3 | H24 | 117.8° | 120.0° |
| O3 | C2 | C3 | O4 | 69.3° | 60.0° |
| O3 | C2 | C3 | C4 | 168.7° | 180.0° |
| O3 | C2 | C3 | H25 | 49.3° | 60.0° |
| O2 | C1 | C2 | C6 | 120.2° | 120.0° |
| O2 | C1 | C2 | C3 | 77.5° | 60.0° |
| O2 | C1 | C6 | C5 | 69.8° | 60.0° |
| O2 | C1 | C6 | H5 | 50.9° | 180.0° |
| O2 | C1 | C6 | H6 | 169.4° | 60.0° |
| O2 | C1 | C7 | H7 | 75.5° | 175.0° |
| O2 | C1 | C7 | H8 | 44.7° | 55.0° |
| O2 | C1 | C2 | H24 | 162.9° | 180.0° |
| C1 | C2 | C3 | H24 | 119.6° | 120.0° |
| C2 | C1 | C6 | C5 | 50.8° | 60.0° |
| C1 | C2 | C3 | O4 | 168.1° | 180.0° |
| C1 | C2 | C3 | C4 | 46.1° | 60.0° |
| C2 | C1 | C6 | H5 | 171.6° | 60.0° |
| C2 | C1 | C6 | H6 | 69.9° | 180.0° |
| C2 | C1 | C7 | H7 | 44.8° | 65.0° |
| C2 | C1 | C7 | H8 | 165.0° | 175.0° |
| C1 | C2 | C3 | H25 | 73.3° | 60.0° |
| C2 | C1 | O2 | H30 | 56.9° | 60.0° |
| C1 | C2 | O3 | H31 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 42.7° | 60.0° |
| C1 | C6 | C5 | H5 | 120.7° | 120.0° |
| C1 | C6 | C5 | H6 | 120.8° | 120.1° |
| C1 | C6 | C5 | C4 | 58.9° | 60.0° |
| C1 | C6 | C5 | N1 | 53.9° | 60.0° |
| C1 | C6 | C5 | H4 | 177.6° | 180.0° |
| C1 | C6 | H5 | H6 | 117.7° | 120.0° |
| C6 | C1 | C7 | H7 | 168.8° | 55.0° |
| C6 | C1 | C7 | H8 | 71.0° | 65.0° |
| C6 | C1 | C2 | H24 | 76.9° | 60.0° |
| C6 | C1 | O2 | H30 | 65.5° | 180.0° |
| C2 | C3 | O4 | C4 | 125.5° | 120.0° |
| C2 | C3 | O4 | H25 | 117.5° | 120.0° |
| C2 | C3 | C4 | H25 | 119.4° | 120.0° |
| C2 | C3 | C4 | C5 | 54.5° | 60.0° |
| C2 | C3 | C4 | O5 | 173.3° | 180.0° |
| C2 | C3 | C4 | H3 | 65.0° | 60.1° |
| C3 | C2 | O3 | H31 | 56.1° | 60.0° |
| C2 | C3 | O4 | H32 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 58.9° | 60.0° |
| C6 | C5 | C4 | N1 | 113.3° | 120.0° |
| C6 | C5 | C4 | H4 | 123.5° | 120.1° |
| C6 | C5 | N1 | H4 | 123.0° | 120.0° |
| C6 | C5 | C4 | O5 | 179.0° | 180.0° |
| C6 | C5 | N1 | C8 | 106.7° | 155.0° |
| C6 | C5 | N1 | H1 | 132.8° | 81.0° |
| C6 | C5 | C4 | H3 | 60.7° | 60.0° |
| C5 | C6 | H5 | H6 | 117.8° | 120.0° |
| O4 | C3 | C4 | H25 | 118.3° | 120.0° |
| O4 | C3 | C4 | C5 | 176.9° | 180.0° |
| O4 | C3 | C4 | O5 | 64.3° | 60.0° |
| O4 | C3 | C4 | H3 | 57.3° | 59.9° |
| O4 | C3 | C2 | H24 | 48.5° | 60.0° |
| C3 | C4 | C5 | O5 | 120.2° | 120.0° |
| C3 | C4 | C5 | H3 | 119.5° | 120.0° |
| C3 | C4 | C5 | N1 | 54.4° | 60.0° |
| C3 | C4 | O5 | H3 | 120.5° | 119.9° |
| C3 | C4 | C5 | H4 | 177.6° | 180.0° |
| C4 | C3 | C2 | H24 | 73.5° | 60.0° |
| C4 | C3 | O4 | H32 | 54.5° | 60.0° |
| C3 | C4 | O5 | H33 | 180.0° | 59.9° |
| C16 | C15 | C14 | H15 | 180.0° | 179.7° |
| C15 | C16 | C17 | H22 | 180.0° | 179.9° |
| C16 | C15 | C14 | N2 | 179.9° | 180.0° |
| C16 | C15 | C14 | C19 | 0.2° | 0.1° |
| C15 | C16 | C17 | N4 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C15 | C14 | N2 | C13 | 35.2° | 5.9° |
| C15 | C14 | N2 | C19 | 179.7° | 179.9° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C15 | C14 | C19 | N3 | 179.3° | 180.0° |
| C14 | C15 | C16 | H22 | 179.7° | 180.0° |
| C15 | C14 | N2 | H28 | 156.7° | 174.1° |
| C16 | C17 | N4 | C21 | 7.6° | 0.0° |
| C16 | C17 | N4 | C18 | 179.7° | 180.0° |
| C16 | C17 | N4 | N5 | 172.6° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C17 | C16 | C15 | H15 | 179.7° | 179.7° |
| C16 | C17 | C18 | H23 | 179.8° | 180.0° |
| N2 | C13 | C12 | H13 | 120.0° | 120.0° |
| N2 | C13 | C12 | H14 | 120.0° | 120.0° |
| N2 | C13 | C12 | C11 | 143.3° | 180.0° |
| C13 | N2 | C14 | H28 | 121.6° | 180.0° |
| C13 | N2 | C14 | C19 | 145.2° | 174.2° |
| N2 | C13 | H13 | H14 | 120.1° | 120.0° |
| N2 | C13 | C12 | H20 | 22.9° | 60.0° |
| N2 | C13 | C12 | H21 | 96.4° | 60.0° |
| C13 | C12 | C11 | H20 | 120.3° | 119.9° |
| C13 | C12 | C11 | H21 | 120.3° | 120.1° |
| C13 | C12 | C11 | C10 | 154.1° | 180.0° |
| C12 | C13 | N2 | C14 | 114.5° | 180.0° |
| C12 | C13 | H13 | H14 | 120.1° | 120.0° |
| C13 | C12 | C11 | H18 | 33.8° | 59.9° |
| C13 | C12 | C11 | H19 | 85.6° | 60.0° |
| C13 | C12 | H20 | H21 | 119.0° | 120.0° |
| C12 | C13 | N2 | H28 | 7.1° | 0.0° |
| C20 | C21 | N4 | H17 | 180.0° | 180.0° |
| C21 | C20 | N6 | H16 | 180.0° | 179.7° |
| C20 | C21 | N4 | C17 | 179.5° | 180.0° |
| C20 | C21 | N4 | N5 | 0.7° | 0.0° |
| C21 | C20 | N6 | N5 | 0.2° | 0.0° |
| N4 | C21 | C20 | N6 | 0.6° | 0.0° |
| C21 | N4 | C17 | N5 | 179.8° | 180.0° |
| C21 | N4 | C17 | C18 | 172.1° | 180.0° |
| C21 | N4 | N5 | N6 | 0.5° | 0.0° |
| N4 | C21 | C20 | H16 | 179.4° | 179.7° |
| C4 | C5 | N1 | H4 | 122.3° | 120.0° |
| C5 | C4 | O5 | H3 | 119.1° | 120.0° |
| C4 | C5 | N1 | C8 | 138.6° | 85.0° |
| C4 | C5 | N1 | H1 | 18.1° | 39.0° |
| C4 | C5 | C6 | H5 | 179.6° | 60.0° |
| C4 | C5 | C6 | H6 | 61.9° | 180.0° |
| C5 | C4 | C3 | H25 | 64.9° | 60.0° |
| C5 | C4 | O5 | H33 | 59.6° | 180.0° |
| N1 | C5 | C4 | O5 | 65.7° | 60.0° |
| C5 | N1 | C8 | C9 | 127.6° | 180.0° |
| C5 | N1 | C8 | H1 | 120.5° | 123.9° |
| N1 | C5 | C4 | H3 | 174.0° | 180.0° |
| N1 | C5 | C6 | H5 | 66.9° | 180.0° |
| N1 | C5 | C6 | H6 | 174.6° | 60.0° |
| C5 | N1 | C8 | H9 | 113.0° | 60.1° |
| C5 | N1 | C8 | H10 | 8.2° | 60.0° |
| O5 | C4 | C5 | H4 | 57.4° | 59.9° |
| O5 | C4 | C3 | H25 | 53.9° | 60.1° |
| C8 | C9 | C10 | H26 | 120.5° | 120.0° |
| C8 | C9 | C10 | H27 | 120.5° | 120.0° |
| C9 | C8 | N1 | H9 | 119.4° | 120.0° |
| C9 | C8 | N1 | H10 | 119.4° | 119.9° |
| C8 | C9 | C10 | C11 | 162.1° | 180.0° |
| C9 | C8 | N1 | H1 | 111.9° | 56.0° |
| C9 | C8 | H9 | H10 | 121.8° | 119.9° |
| C8 | C9 | C10 | H11 | 42.2° | 60.0° |
| C8 | C9 | C10 | H12 | 78.0° | 60.0° |
| C8 | C9 | H26 | H27 | 118.5° | 119.9° |
| C10 | C9 | C8 | N1 | 140.5° | 180.0° |
| C9 | C10 | C11 | C12 | 117.7° | 180.0° |
| C9 | C10 | C11 | H11 | 119.9° | 120.1° |
| C9 | C10 | C11 | H12 | 119.9° | 120.0° |
| C10 | C9 | C8 | H9 | 21.1° | 60.0° |
| C10 | C9 | C8 | H10 | 100.1° | 60.0° |
| C9 | C10 | H11 | H12 | 120.3° | 120.0° |
| C9 | C10 | C11 | H18 | 2.6° | 60.0° |
| C9 | C10 | C11 | H19 | 122.0° | 60.0° |
| C10 | C9 | H26 | H27 | 118.6° | 120.0° |
| C8 | N1 | C5 | H4 | 16.3° | 35.0° |
| N1 | C8 | H9 | H10 | 121.8° | 120.1° |
| N1 | C8 | C9 | H26 | 20.0° | 59.9° |
| N1 | C8 | C9 | H27 | 99.0° | 60.0° |
| C12 | C11 | C10 | H18 | 120.3° | 120.0° |
| C12 | C11 | C10 | H19 | 120.3° | 120.0° |
| C12 | C11 | C10 | H11 | 2.2° | 60.0° |
| C12 | C11 | C10 | H12 | 122.5° | 60.0° |
| C11 | C12 | C13 | H13 | 96.8° | 60.0° |
| C11 | C12 | C13 | H14 | 23.3° | 60.1° |
| C12 | C11 | H18 | H19 | 119.1° | 120.0° |
| C11 | C12 | H20 | H21 | 119.0° | 120.0° |
| C11 | C10 | H11 | H12 | 120.4° | 120.0° |
| C10 | C11 | H18 | H19 | 119.1° | 120.0° |
| C10 | C11 | C12 | H20 | 85.6° | 60.0° |
| C10 | C11 | C12 | H21 | 33.8° | 59.9° |
| C11 | C10 | C9 | H26 | 77.4° | 60.0° |
| C11 | C10 | C9 | H27 | 41.6° | 60.0° |
| C20 | N6 | N5 | N4 | 0.2° | 0.0° |
| N6 | C20 | C21 | H17 | 179.4° | 180.0° |
| N2 | C14 | C19 | C18 | 179.6° | 180.0° |
| N2 | C14 | C19 | N3 | 1.0° | 0.0° |
| C14 | N2 | C13 | H13 | 5.4° | 60.0° |
| C14 | N2 | C13 | H14 | 125.5° | 60.0° |
| N2 | C14 | C15 | H15 | 0.1° | 0.3° |
| C14 | C19 | C18 | C17 | 0.2° | 0.0° |
| C14 | C19 | C18 | N3 | 179.3° | 180.0° |
| C14 | C19 | N3 | O6 | 47.8° | 37.4° |
| C14 | C19 | N3 | O7 | 131.0° | 142.6° |
| C19 | C14 | C15 | H15 | 179.8° | 179.8° |
| C14 | C19 | C18 | H23 | 179.7° | 179.9° |
| C19 | C14 | N2 | H28 | 23.6° | 5.8° |
| C17 | N4 | N5 | N6 | 179.6° | 180.0° |
| N4 | C17 | C18 | C19 | 179.8° | 180.0° |
| C17 | N4 | C21 | H17 | 0.5° | 0.0° |
| N4 | C17 | C16 | H22 | 0.4° | 0.1° |
| N4 | C17 | C18 | H23 | 0.1° | 0.1° |
| C18 | C17 | N4 | N5 | 7.7° | 0.0° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C17 | C18 | C19 | N3 | 179.1° | 180.0° |
| C18 | C17 | C16 | H22 | 179.9° | 179.9° |
| N5 | N4 | C21 | H17 | 179.3° | 180.0° |
| N5 | N6 | C20 | H16 | 179.8° | 179.7° |
| C18 | C19 | N3 | O6 | 132.9° | 142.5° |
| C18 | C19 | N3 | O7 | 48.3° | 37.5° |
| C19 | N3 | O6 | O7 | 178.9° | 180.0° |
| N3 | C19 | C18 | H23 | 0.9° | 0.1° |
| H1 | N1 | C5 | H4 | 104.2° | 159.0° |
| H1 | N1 | C8 | H9 | 7.5° | 176.0° |
| H1 | N1 | C8 | H10 | 128.7° | 63.9° |
| H3 | C4 | C5 | H4 | 62.8° | 60.0° |
| H3 | C4 | C3 | H25 | 175.6° | 180.0° |
| H3 | C4 | O5 | H33 | 59.5° | 60.0° |
| H4 | C5 | C6 | H5 | 56.9° | 60.0° |
| H4 | C5 | C6 | H6 | 61.6° | 59.9° |
| H7 | C7 | O1 | H29 | 60.0° | 60.0° |
| H8 | C7 | O1 | H29 | 60.1° | 60.0° |
| H9 | C8 | C9 | H26 | 99.4° | 180.0° |
| H9 | C8 | C9 | H27 | 141.6° | 60.0° |
| H10 | C8 | C9 | H26 | 139.4° | 60.0° |
| H10 | C8 | C9 | H27 | 20.4° | 180.0° |
| H11 | C10 | C11 | H18 | 122.5° | 60.1° |
| H11 | C10 | C11 | H19 | 118.1° | 180.0° |
| H11 | C10 | C9 | H26 | 162.7° | 60.0° |
| H11 | C10 | C9 | H27 | 78.3° | 179.9° |
| H12 | C10 | C11 | H18 | 117.2° | 180.0° |
| H12 | C10 | C11 | H19 | 2.2° | 60.1° |
| H12 | C10 | C9 | H26 | 42.5° | 180.0° |
| H12 | C10 | C9 | H27 | 161.5° | 60.0° |
| H13 | C13 | C12 | H20 | 142.9° | 60.0° |
| H13 | C13 | C12 | H21 | 23.6° | 179.9° |
| H13 | C13 | N2 | H28 | 127.0° | 120.0° |
| H14 | C13 | C12 | H20 | 97.1° | NaN° |
| H14 | C13 | C12 | H21 | 143.6° | 60.0° |
| H14 | C13 | N2 | H28 | 112.9° | 120.0° |
| H15 | C15 | C16 | H22 | 0.3° | 0.3° |
| H16 | C20 | C21 | H17 | 0.6° | 0.3° |
| H18 | C11 | C12 | H20 | 154.2° | 60.0° |
| H18 | C11 | C12 | H21 | 86.5° | 180.0° |
| H19 | C11 | C12 | H20 | 34.7° | 180.0° |
| H19 | C11 | C12 | H21 | 154.1° | 60.1° |
| H24 | C2 | C3 | H25 | 167.1° | 180.0° |
| H24 | C2 | O3 | H31 | 60.3° | 60.0° |
| H25 | C3 | O4 | H32 | 62.5° | 60.0° |
