W9V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C2 | O3 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.55Å | |
| C1 | C21 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N5 | C16 | doub | 1.31Å | 1.34Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.32Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.44Å | Aromatic |
| C21 | O7 | sing | 1.43Å | 1.40Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C20 | sing | 1.53Å | 1.54Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| C20 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| N4 | C15 | sing | 1.40Å | 1.45Å | |
| N4 | N6 | sing | 1.29Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C11 | N2 | sing | 1.46Å | 1.47Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | N6 | doub | 1.31Å | 1.34Å | Aromatic |
| C12 | N2 | sing | 1.40Å | 1.47Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N3 | sing | 1.48Å | 1.45Å | |
| N3 | O4 | doub | 1.22Å | 1.40Å | |
| N3 | O5 | sing | 1.22Å | 1.41Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | 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 | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å | |
| O6 | H30 | sing | 0.97Å | 0.95Å | |
| O7 | H31 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C3 | C2 | 101.2° | 109.4° |
| O2 | C3 | H22 | 111.5° | 109.5° |
| O2 | C3 | H23 | 111.5° | 109.5° |
| C3 | O2 | H28 | 109.5° | 114.0° |
| C3 | C2 | O3 | 88.8° | 109.5° |
| C3 | C2 | C1 | 117.6° | 109.5° |
| C3 | C2 | C4 | 117.0° | 109.5° |
| C2 | C3 | H22 | 111.5° | 109.4° |
| C2 | C3 | H23 | 111.5° | 109.5° |
| O1 | C1 | C2 | 115.9° | 109.4° |
| O1 | C1 | C21 | 114.5° | 109.5° |
| O1 | C1 | H16 | 103.0° | 109.5° |
| C1 | O1 | H27 | 109.5° | 114.0° |
| O3 | C2 | C1 | 84.5° | 109.5° |
| O3 | C2 | C4 | 86.4° | 109.5° |
| C2 | O3 | H29 | 109.5° | 114.0° |
| C1 | C2 | C4 | 124.3° | 109.4° |
| C2 | C1 | C21 | 116.5° | 109.5° |
| C2 | C1 | H16 | 101.8° | 109.5° |
| C2 | C4 | C5 | 112.8° | 109.5° |
| C2 | C4 | H3 | 108.6° | 109.5° |
| C2 | C4 | H4 | 108.6° | 109.5° |
| C1 | C21 | O7 | 107.0° | 109.5° |
| C1 | C21 | C20 | 110.2° | 109.4° |
| C1 | C21 | H15 | 108.9° | 109.5° |
| C21 | C1 | H16 | 102.0° | 109.5° |
| C4 | C5 | C20 | 113.6° | 109.5° |
| C4 | C5 | N1 | 108.4° | 109.5° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.4° |
| C4 | C5 | H5 | 107.4° | 109.5° |
| C16 | N5 | N4 | 108.4° | 108.7° |
| N5 | C16 | C17 | 105.9° | 105.9° |
| N5 | C16 | H19 | 127.0° | 127.1° |
| N5 | N4 | C15 | 126.3° | 124.6° |
| N5 | N4 | N6 | 111.1° | 110.7° |
| C16 | C17 | N6 | 106.3° | 105.9° |
| C16 | C17 | H13 | 126.9° | 127.0° |
| C17 | C16 | H19 | 127.1° | 127.0° |
| O7 | C21 | C20 | 111.3° | 109.4° |
| O7 | C21 | H15 | 110.7° | 109.5° |
| C21 | O7 | H31 | 109.5° | 114.0° |
| C21 | C20 | C5 | 112.7° | 109.5° |
| C21 | C20 | O6 | 112.3° | 109.5° |
| C21 | C20 | H14 | 106.2° | 109.5° |
| C20 | C21 | H15 | 108.8° | 109.5° |
| C19 | C18 | C15 | 119.3° | 120.0° |
| C18 | C19 | C12 | 121.7° | 120.0° |
| C19 | C18 | H20 | 120.3° | 120.0° |
| C18 | C19 | H21 | 119.2° | 120.0° |
| C18 | C15 | N4 | 123.0° | 120.0° |
| C18 | C15 | C14 | 119.6° | 120.0° |
| C15 | C18 | H20 | 120.3° | 120.0° |
| C19 | C12 | N2 | 116.0° | 120.0° |
| C19 | C12 | C13 | 118.4° | 120.0° |
| C12 | C19 | H21 | 119.2° | 120.0° |
| C20 | C5 | N1 | 111.8° | 109.5° |
| C5 | C20 | O6 | 111.3° | 109.5° |
| C20 | C5 | H5 | 107.2° | 109.5° |
| C5 | C20 | H14 | 106.2° | 109.5° |
| C5 | N1 | C6 | 111.2° | 111.0° |
| C5 | N1 | H1 | 109.0° | 111.0° |
| N1 | C5 | H5 | 108.2° | 109.4° |
| O6 | C20 | H14 | 107.7° | 109.4° |
| C20 | O6 | H30 | 109.5° | 114.0° |
| N1 | C6 | C7 | 111.7° | 109.5° |
| C6 | N1 | H1 | 109.1° | 111.0° |
| N1 | C6 | H6 | 108.9° | 109.5° |
| N1 | C6 | H7 | 108.9° | 109.5° |
| C6 | C7 | C8 | 115.4° | 109.5° |
| C7 | C6 | H6 | 108.9° | 109.5° |
| C7 | C6 | H7 | 108.9° | 109.4° |
| C6 | C7 | H8 | 108.0° | 109.5° |
| C6 | C7 | H9 | 108.0° | 109.5° |
| C7 | C8 | C9 | 113.2° | 109.5° |
| C8 | C7 | H8 | 108.0° | 109.5° |
| C8 | C7 | H9 | 108.0° | 109.4° |
| C7 | C8 | H10 | 108.5° | 109.5° |
| C7 | C8 | H11 | 108.5° | 109.5° |
| C8 | C9 | C10 | 111.3° | 109.5° |
| C9 | C8 | H10 | 108.5° | 109.5° |
| C9 | C8 | H11 | 108.5° | 109.4° |
| C8 | C9 | H24 | 109.0° | 109.5° |
| C8 | C9 | H25 | 109.0° | 109.4° |
| C15 | N4 | N6 | 122.6° | 124.6° |
| N4 | C15 | C14 | 117.4° | 120.0° |
| N4 | N6 | C17 | 108.3° | 108.7° |
| C11 | C10 | C9 | 121.6° | 109.5° |
| C10 | C11 | N2 | 121.5° | 109.5° |
| C11 | C10 | H12 | 106.3° | 109.5° |
| C10 | C11 | H17 | 106.4° | 109.4° |
| C11 | C10 | H2 | 106.4° | 109.4° |
| C10 | C11 | H32 | 106.4° | 109.4° |
| C9 | C10 | H12 | 106.4° | 109.5° |
| C10 | C9 | H24 | 109.0° | 109.5° |
| C10 | C9 | H25 | 109.0° | 109.5° |
| C9 | C10 | H2 | 106.3° | 109.5° |
| C11 | N2 | C12 | 113.3° | 120.0° |
| N2 | C11 | H17 | 106.4° | 109.5° |
| C11 | N2 | H26 | 108.5° | 120.0° |
| N2 | C11 | H32 | 106.4° | 109.5° |
| C15 | C14 | C13 | 121.5° | 120.0° |
| C15 | C14 | H18 | 119.3° | 120.0° |
| N6 | C17 | H13 | 126.9° | 127.1° |
| N2 | C12 | C13 | 125.7° | 120.0° |
| C12 | N2 | H26 | 108.5° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C12 | C13 | N3 | 125.9° | 120.0° |
| C14 | C13 | N3 | 114.5° | 120.0° |
| C13 | C14 | H18 | 119.3° | 120.0° |
| C13 | N3 | O4 | 120.5° | 120.0° |
| C13 | N3 | O5 | 119.5° | 120.0° |
| O4 | N3 | O5 | 119.9° | 120.0° |
| H3 | C4 | H4 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C10 | H2 | 109.5° | 109.4° |
| H17 | C11 | H32 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | C2 | H22 | 118.7° | 120.0° |
| O2 | C3 | C2 | H23 | 118.7° | 120.0° |
| O2 | C3 | C2 | O3 | 176.6° | 65.0° |
| O2 | C3 | C2 | C1 | 100.3° | 55.0° |
| O2 | C3 | C2 | C4 | 91.3° | 175.0° |
| O2 | C3 | H22 | H23 | 123.9° | 120.1° |
| C3 | C2 | C1 | O1 | 32.3° | 60.0° |
| C3 | C2 | O3 | C1 | 117.9° | 120.0° |
| C3 | C2 | O3 | C4 | 117.1° | 120.0° |
| C3 | C2 | C1 | C4 | 167.5° | 120.0° |
| C3 | C2 | C1 | C21 | 171.4° | 180.0° |
| C3 | C2 | C4 | C5 | 172.4° | 180.0° |
| C3 | C2 | C4 | H3 | 51.9° | 60.0° |
| C3 | C2 | C4 | H4 | 67.1° | 60.0° |
| C3 | C2 | C1 | H16 | 78.6° | 60.0° |
| C2 | C3 | H22 | H23 | 123.8° | 120.0° |
| C2 | C3 | O2 | H28 | 180.0° | 180.0° |
| C3 | C2 | O3 | H29 | 180.0° | 60.0° |
| O1 | C1 | C2 | O3 | 53.4° | 60.0° |
| O1 | C1 | C2 | C21 | 139.2° | 120.0° |
| O1 | C1 | C2 | H16 | 110.9° | 120.0° |
| O1 | C1 | C2 | C4 | 135.2° | 180.0° |
| O1 | C1 | C21 | H16 | 110.4° | 120.0° |
| O1 | C1 | C21 | O7 | 71.8° | 60.0° |
| O1 | C1 | C21 | C20 | 167.1° | 180.0° |
| O1 | C1 | C21 | H15 | 47.9° | 60.0° |
| O3 | C2 | C1 | C4 | 81.8° | 120.0° |
| O3 | C2 | C1 | C21 | 85.7° | 60.0° |
| O3 | C2 | C4 | C5 | 85.7° | 60.0° |
| O3 | C2 | C4 | H3 | 34.9° | 180.0° |
| O3 | C2 | C4 | H4 | 153.8° | 60.0° |
| O3 | C2 | C1 | H16 | 164.4° | 180.0° |
| O3 | C2 | C3 | H22 | 64.8° | 175.0° |
| O3 | C2 | C3 | H23 | 57.9° | 55.0° |
| C2 | C1 | C21 | H16 | 109.8° | 120.0° |
| C1 | C2 | C4 | C5 | 4.9° | 60.0° |
| C2 | C1 | C21 | O7 | 148.5° | 180.0° |
| C2 | C1 | C21 | C20 | 27.4° | 60.0° |
| C1 | C2 | C4 | H3 | 115.6° | 60.0° |
| C1 | C2 | C4 | H4 | 125.4° | 180.0° |
| C2 | C1 | C21 | H15 | 91.9° | 59.9° |
| C1 | C2 | C3 | H22 | 18.4° | 65.0° |
| C1 | C2 | C3 | H23 | 141.0° | 175.0° |
| C2 | C1 | O1 | H27 | 180.0° | 180.0° |
| C1 | C2 | O3 | H29 | 62.1° | 60.0° |
| C4 | C2 | C1 | C21 | 4.0° | 60.0° |
| C2 | C4 | C5 | H3 | 120.5° | 120.1° |
| C2 | C4 | C5 | H4 | 120.5° | 120.0° |
| C2 | C4 | C5 | C20 | 26.0° | 60.0° |
| C2 | C4 | C5 | N1 | 98.9° | 60.0° |
| C2 | C4 | H3 | H4 | 118.5° | 120.0° |
| C2 | C4 | C5 | H5 | 144.4° | 180.0° |
| C4 | C2 | C1 | H16 | 113.9° | 60.0° |
| C4 | C2 | C3 | H22 | 150.1° | 55.0° |
| C4 | C2 | C3 | H23 | 27.4° | 65.0° |
| C4 | C2 | O3 | H29 | 62.9° | 180.0° |
| C1 | C21 | O7 | C20 | 120.4° | 120.0° |
| C1 | C21 | O7 | H15 | 118.5° | 120.1° |
| C1 | C21 | C20 | H15 | 119.3° | 120.0° |
| C1 | C21 | C20 | C5 | 59.7° | 60.0° |
| C1 | C21 | C20 | O6 | 173.7° | 180.0° |
| C1 | C21 | C20 | H14 | 56.1° | 60.0° |
| C21 | C1 | O1 | H27 | 40.0° | 60.0° |
| C1 | C21 | O7 | H31 | 180.0° | 180.0° |
| C4 | C5 | C20 | C21 | 60.4° | 60.0° |
| C4 | C5 | C20 | N1 | 123.0° | 120.0° |
| C4 | C5 | C20 | H5 | 118.5° | 120.0° |
| C4 | C5 | N1 | H5 | 116.2° | 120.0° |
| C4 | C5 | C20 | O6 | 172.4° | 180.0° |
| C4 | C5 | N1 | C6 | 48.4° | 155.0° |
| C4 | C5 | N1 | H1 | 168.7° | 81.0° |
| C5 | C4 | H3 | H4 | 118.4° | 120.0° |
| C4 | C5 | C20 | H14 | 55.4° | 60.0° |
| N5 | C16 | C17 | H19 | 180.0° | 179.9° |
| C16 | N5 | N4 | C15 | 179.7° | 180.0° |
| C16 | N5 | N4 | N6 | 0.4° | 0.1° |
| N5 | C16 | C17 | N6 | 0.0° | 0.0° |
| N5 | C16 | C17 | H13 | 179.9° | 179.8° |
| N4 | N5 | C16 | C17 | 0.3° | 0.0° |
| N5 | N4 | C15 | C18 | 40.5° | 180.0° |
| N5 | N4 | C15 | N6 | 179.2° | 179.9° |
| N5 | N4 | C15 | C14 | 140.0° | 0.0° |
| N5 | N4 | N6 | C17 | 0.4° | 0.1° |
| N4 | N5 | C16 | H19 | 179.7° | 179.9° |
| C16 | C17 | N6 | N4 | 0.2° | 0.0° |
| C16 | C17 | N6 | H13 | 180.0° | 179.8° |
| O7 | C21 | C20 | H15 | 122.2° | 120.0° |
| O7 | C21 | C20 | C5 | 178.2° | 180.0° |
| O7 | C21 | C20 | O6 | 55.1° | 60.0° |
| O7 | C21 | C20 | H14 | 62.4° | 60.0° |
| O7 | C21 | C1 | H16 | 38.6° | 59.9° |
| C21 | C20 | C5 | O6 | 127.2° | 120.0° |
| C21 | C20 | C5 | H14 | 115.9° | 120.0° |
| C21 | C20 | C5 | N1 | 62.6° | 60.0° |
| C21 | C20 | O6 | H14 | 116.6° | 120.0° |
| C21 | C20 | C5 | H5 | 178.9° | 180.0° |
| C20 | C21 | C1 | H16 | 82.5° | 60.0° |
| C21 | C20 | O6 | H30 | 180.0° | 60.0° |
| C20 | C21 | O7 | H31 | 59.6° | 60.0° |
| C19 | C18 | C15 | H20 | 180.0° | 179.8° |
| C18 | C19 | C12 | H21 | 180.0° | 179.7° |
| C19 | C18 | C15 | N4 | 179.8° | 179.7° |
| C19 | C18 | C15 | C14 | 0.3° | 0.2° |
| C18 | C19 | C12 | N2 | 179.2° | 180.0° |
| C18 | C19 | C12 | C13 | 0.5° | 0.0° |
| C15 | C18 | C19 | C12 | 0.1° | 0.2° |
| C18 | C15 | N4 | C14 | 179.5° | 180.0° |
| C18 | C15 | N4 | N6 | 140.3° | 0.1° |
| C18 | C15 | C14 | C13 | 0.1° | 0.0° |
| C18 | C15 | C14 | H18 | 179.9° | 179.9° |
| C15 | C18 | C19 | H21 | 179.9° | 180.0° |
| C19 | C12 | N2 | C11 | 27.0° | 5.9° |
| C19 | C12 | N2 | C13 | 178.6° | 180.0° |
| C19 | C12 | C13 | C14 | 0.7° | 0.2° |
| C19 | C12 | C13 | N3 | 179.7° | 180.0° |
| C12 | C19 | C18 | H20 | 179.9° | 180.0° |
| C19 | C12 | N2 | H26 | 93.6° | 174.1° |
| C20 | C5 | N1 | H5 | 117.9° | 120.0° |
| C5 | C20 | O6 | H14 | 116.0° | 120.0° |
| C20 | C5 | N1 | C6 | 174.3° | 85.0° |
| C20 | C5 | N1 | H1 | 65.4° | 39.0° |
| C20 | C5 | C4 | H3 | 146.5° | 60.0° |
| C20 | C5 | C4 | H4 | 94.5° | 180.0° |
| C5 | C20 | C21 | H15 | 59.6° | 60.0° |
| C5 | C20 | O6 | H30 | 52.6° | 180.0° |
| N1 | C5 | C20 | O6 | 64.6° | 60.0° |
| C5 | N1 | C6 | H1 | 120.3° | 124.0° |
| C5 | N1 | C6 | C7 | 170.0° | 180.0° |
| N1 | C5 | C4 | H3 | 21.6° | 180.0° |
| N1 | C5 | C4 | H4 | 140.6° | 60.0° |
| C5 | N1 | C6 | H6 | 69.7° | 60.0° |
| C5 | N1 | C6 | H7 | 49.6° | 60.1° |
| N1 | C5 | C20 | H14 | 178.5° | 180.0° |
| O6 | C20 | C5 | H5 | 53.9° | 59.9° |
| O6 | C20 | C21 | H15 | 67.0° | 60.0° |
| N1 | C6 | C7 | H6 | 120.3° | 120.0° |
| N1 | C6 | C7 | H7 | 120.4° | 119.9° |
| N1 | C6 | C7 | C8 | 153.3° | 180.0° |
| C6 | N1 | C5 | H5 | 67.8° | 35.0° |
| N1 | C6 | H6 | H7 | 119.0° | 120.0° |
| N1 | C6 | C7 | H8 | 85.8° | 60.0° |
| N1 | C6 | C7 | H9 | 32.5° | 60.0° |
| C6 | C7 | C8 | H8 | 120.9° | 120.0° |
| C6 | C7 | C8 | H9 | 120.9° | 120.0° |
| C6 | C7 | C8 | C9 | 107.1° | 180.0° |
| C7 | C6 | N1 | H1 | 49.7° | 56.0° |
| C7 | C6 | H6 | H7 | 119.0° | 120.0° |
| C6 | C7 | H8 | H9 | 117.3° | 120.0° |
| C6 | C7 | C8 | H10 | 132.4° | 60.0° |
| C6 | C7 | C8 | H11 | 13.5° | 60.0° |
| C7 | C8 | C9 | H10 | 120.5° | 120.0° |
| C7 | C8 | C9 | H11 | 120.6° | 120.0° |
| C7 | C8 | C9 | C10 | 177.9° | 180.0° |
| C8 | C7 | C6 | H6 | 33.0° | 60.0° |
| C8 | C7 | C6 | H7 | 86.3° | 60.0° |
| C8 | C7 | H8 | H9 | 117.3° | 119.9° |
| C7 | C8 | H10 | H11 | 118.3° | 120.0° |
| C7 | C8 | C9 | H24 | 61.9° | 60.0° |
| C7 | C8 | C9 | H25 | 57.6° | 60.0° |
| C8 | C9 | C10 | C11 | 156.1° | 180.0° |
| C8 | C9 | C10 | H24 | 120.3° | 120.0° |
| C8 | C9 | C10 | H25 | 120.2° | 120.0° |
| C9 | C8 | C7 | H8 | 13.8° | 60.0° |
| C9 | C8 | C7 | H9 | 132.1° | 60.0° |
| C9 | C8 | H10 | H11 | 118.3° | 120.0° |
| C8 | C9 | C10 | H12 | 34.4° | 60.0° |
| C8 | C9 | H24 | H25 | 119.2° | 120.0° |
| C8 | C9 | C10 | H2 | 82.3° | 60.0° |
| C15 | N4 | N6 | C17 | 179.7° | 180.0° |
| N4 | C15 | C14 | C13 | 179.7° | 180.0° |
| N4 | C15 | C14 | H18 | 0.3° | 0.1° |
| N4 | C15 | C18 | H20 | 0.2° | 0.0° |
| N6 | N4 | C15 | C14 | 39.2° | 180.0° |
| N4 | N6 | C17 | H13 | 179.8° | 179.8° |
| C11 | C10 | C9 | H12 | 121.7° | 120.0° |
| C11 | C10 | C9 | H2 | 121.7° | 120.0° |
| C10 | C11 | N2 | H17 | 121.7° | 120.0° |
| C10 | C11 | N2 | H32 | 121.6° | 119.9° |
| C10 | C11 | N2 | C12 | 165.5° | 180.0° |
| C11 | C10 | H12 | H2 | 114.5° | 119.9° |
| C10 | C11 | H17 | H32 | 114.6° | 119.9° |
| C11 | C10 | C9 | H24 | 35.8° | 60.0° |
| C11 | C10 | C9 | H25 | 83.7° | 60.0° |
| C10 | C11 | N2 | H26 | 45.0° | 0.0° |
| C9 | C10 | C11 | N2 | 5.1° | 180.0° |
| C10 | C9 | C8 | H10 | 57.4° | 60.0° |
| C10 | C9 | C8 | H11 | 61.6° | 60.0° |
| C9 | C10 | H12 | H2 | 114.5° | 120.0° |
| C9 | C10 | C11 | H17 | 126.7° | 60.0° |
| C10 | C9 | H24 | H25 | 119.2° | 120.0° |
| C9 | C10 | C11 | H32 | 116.6° | 60.0° |
| C11 | N2 | C12 | H26 | 120.5° | 180.0° |
| C11 | N2 | C12 | C13 | 151.6° | 174.1° |
| N2 | C11 | C10 | H12 | 126.8° | 60.0° |
| N2 | C11 | H17 | H32 | 114.6° | 120.1° |
| N2 | C11 | C10 | H2 | 116.6° | 59.9° |
| C15 | C14 | C13 | C12 | 0.3° | 0.3° |
| C15 | C14 | C13 | H18 | 180.0° | 179.9° |
| C15 | C14 | C13 | N3 | 180.0° | 180.0° |
| C14 | C15 | C18 | H20 | 179.7° | 180.0° |
| N6 | C17 | C16 | H19 | 180.0° | 179.9° |
| N2 | C12 | C13 | C14 | 179.2° | 179.8° |
| N2 | C12 | C13 | N3 | 1.1° | 0.0° |
| C12 | N2 | C11 | H17 | 72.8° | 60.0° |
| N2 | C12 | C19 | H21 | 0.8° | 0.3° |
| C12 | N2 | C11 | H32 | 43.9° | 60.1° |
| C12 | C13 | C14 | N3 | 179.7° | 179.7° |
| C12 | C13 | N3 | O4 | 70.1° | 142.3° |
| C12 | C13 | N3 | O5 | 112.2° | 37.7° |
| C12 | C13 | C14 | H18 | 179.6° | 179.7° |
| C13 | C12 | C19 | H21 | 179.5° | 179.7° |
| C13 | C12 | N2 | H26 | 87.8° | 5.9° |
| C14 | C13 | N3 | O4 | 109.6° | 37.4° |
| C14 | C13 | N3 | O5 | 68.1° | 142.5° |
| C13 | N3 | O4 | O5 | 177.7° | 180.0° |
| N3 | C13 | C14 | H18 | 0.1° | 0.0° |
| H1 | N1 | C5 | H5 | 52.5° | 159.0° |
| H1 | N1 | C6 | H6 | 170.0° | 176.0° |
| H1 | N1 | C6 | H7 | 70.7° | 63.9° |
| H3 | C4 | C5 | H5 | 95.1° | 60.0° |
| H4 | C4 | C5 | H5 | 23.9° | 60.0° |
| H5 | C5 | C20 | H14 | 63.1° | 60.0° |
| H6 | C6 | C7 | H8 | 153.9° | 180.0° |
| H6 | C6 | C7 | H9 | 87.9° | 60.0° |
| H7 | C6 | C7 | H8 | 34.6° | 60.0° |
| H7 | C6 | C7 | H9 | 152.8° | 180.0° |
| H8 | C7 | C8 | H10 | 106.8° | 180.0° |
| H8 | C7 | C8 | H11 | 134.4° | 60.0° |
| H9 | C7 | C8 | H10 | 11.5° | 60.1° |
| H9 | C7 | C8 | H11 | 107.4° | 179.9° |
| H10 | C8 | C9 | H24 | 177.6° | 180.0° |
| H10 | C8 | C9 | H25 | 62.9° | 60.0° |
| H11 | C8 | C9 | H24 | 58.7° | 60.0° |
| H11 | C8 | C9 | H25 | 178.2° | 180.0° |
| H12 | C10 | C11 | H17 | 111.6° | 60.0° |
| H12 | C10 | C9 | H24 | 85.9° | 60.1° |
| H12 | C10 | C9 | H25 | 154.6° | 180.0° |
| H12 | C10 | C11 | H32 | 5.1° | 179.9° |
| H13 | C17 | C16 | H19 | 0.0° | 0.3° |
| H14 | C20 | C21 | H15 | 175.5° | 180.0° |
| H14 | C20 | O6 | H30 | 63.4° | 60.0° |
| H15 | C21 | C1 | H16 | 158.3° | 180.0° |
| H15 | C21 | O7 | H31 | 61.5° | 59.9° |
| H16 | C1 | O1 | H27 | 69.8° | 60.0° |
| H17 | C11 | N2 | H26 | 166.6° | 119.9° |
| H17 | C11 | C10 | H2 | 5.0° | 180.0° |
| H20 | C18 | C19 | H21 | 0.1° | 0.3° |
| H22 | C3 | O2 | H28 | 61.4° | 60.0° |
| H23 | C3 | O2 | H28 | 61.3° | 60.0° |
| H24 | C9 | C10 | H2 | 157.5° | 180.0° |
| H25 | C9 | C10 | H2 | 38.0° | 60.0° |
| H26 | N2 | C11 | H32 | 76.7° | 120.0° |
| H2 | C10 | C11 | H32 | 121.7° | 60.0° |
