X8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | O2 | sing | 1.43Å | 1.41Å | |
| C3 | C2 | sing | 1.53Å | 1.33Å | |
| O3 | C2 | sing | 1.43Å | 1.35Å | |
| O1 | C1 | sing | 1.43Å | 1.15Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | C4 | sing | 1.53Å | 1.64Å | |
| C1 | C19 | sing | 1.53Å | 1.67Å | |
| O5 | N3 | sing | 1.32Å | 1.41Å | |
| O4 | N3 | doub | 1.32Å | 1.40Å | |
| N3 | C13 | sing | 1.48Å | 1.48Å | |
| O7 | C19 | sing | 1.43Å | 1.07Å | |
| C19 | C18 | sing | 1.53Å | 1.67Å | |
| C4 | C5 | sing | 1.53Å | 1.24Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| N2 | C12 | sing | 1.36Å | 1.47Å | |
| N2 | C11 | sing | 1.46Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C13 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.35Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | C18 | sing | 1.53Å | 1.67Å | |
| C5 | N1 | sing | 1.47Å | 1.39Å | |
| C18 | O6 | sing | 1.43Å | 1.49Å | |
| C6 | N1 | sing | 1.47Å | 1.45Å | |
| C12 | C17 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.48Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.35Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.40Å | Aromatic |
| C15 | N4 | sing | 1.31Å | 1.47Å | |
| N5 | N4 | doub | 1.12Å | 1.43Å | |
| N5 | N6 | doub | 1.12Å | 1.44Å | |
| 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 | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | 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 | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| 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 | H31 | sing | 0.97Å | 0.95Å | |
| O2 | H32 | sing | 0.97Å | 0.95Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å | |
| O6 | H34 | sing | 0.97Å | 0.95Å | |
| O7 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C3 | C2 | 103.2° | 109.5° |
| O2 | C3 | H22 | 111.0° | 109.4° |
| O2 | C3 | H23 | 111.0° | 109.5° |
| C3 | O2 | H32 | 109.5° | 114.0° |
| C3 | C2 | O3 | 99.4° | 109.4° |
| C3 | C2 | C1 | 126.2° | 109.5° |
| C3 | C2 | C4 | 128.2° | 109.4° |
| C2 | C3 | H22 | 111.0° | 109.4° |
| C2 | C3 | H23 | 111.0° | 109.5° |
| O3 | C2 | C1 | 92.9° | 109.5° |
| O3 | C2 | C4 | 91.8° | 109.5° |
| C2 | O3 | H33 | 109.5° | 114.0° |
| O1 | C1 | C2 | 119.0° | 109.5° |
| O1 | C1 | C19 | 92.9° | 109.5° |
| O1 | C1 | H15 | 111.9° | 109.5° |
| C1 | O1 | H31 | 109.5° | 114.0° |
| C1 | C2 | C4 | 103.3° | 109.5° |
| C2 | C1 | C19 | 120.6° | 109.5° |
| C2 | C1 | H15 | 106.6° | 109.5° |
| C2 | C4 | C5 | 138.2° | 109.4° |
| C2 | C4 | H3 | 101.9° | 109.5° |
| C2 | C4 | H4 | 101.9° | 109.5° |
| C1 | C19 | O7 | 90.3° | 109.5° |
| C1 | C19 | C18 | 113.5° | 109.4° |
| C19 | C1 | H15 | 104.8° | 109.5° |
| C1 | C19 | H21 | 112.8° | 109.4° |
| O5 | N3 | O4 | 120.9° | 120.0° |
| O5 | N3 | C13 | 120.1° | 120.0° |
| O4 | N3 | C13 | 119.0° | 120.0° |
| N3 | C13 | C12 | 121.4° | 119.6° |
| N3 | C13 | C14 | 118.6° | 119.5° |
| O7 | C19 | C18 | 97.9° | 109.5° |
| O7 | C19 | H21 | 127.4° | 109.5° |
| C19 | O7 | H35 | 109.5° | 114.0° |
| C19 | C18 | C5 | 118.6° | 109.5° |
| C19 | C18 | O6 | 97.9° | 109.4° |
| C19 | C18 | H20 | 100.4° | 109.5° |
| C18 | C19 | H21 | 112.8° | 109.5° |
| C4 | C5 | C18 | 103.3° | 109.4° |
| C4 | C5 | N1 | 97.3° | 109.5° |
| C5 | C4 | H3 | 101.9° | 109.5° |
| C5 | C4 | H4 | 101.9° | 109.4° |
| C4 | C5 | H5 | 122.0° | 109.4° |
| C9 | C10 | C11 | 109.7° | 109.5° |
| C10 | C9 | C8 | 108.0° | 109.5° |
| C9 | C10 | H12 | 109.4° | 109.5° |
| C9 | C10 | H13 | 109.4° | 109.5° |
| C10 | C9 | H24 | 109.8° | 109.5° |
| C10 | C9 | H25 | 109.8° | 109.5° |
| C10 | C11 | N2 | 113.1° | 109.5° |
| C11 | C10 | H12 | 109.5° | 109.5° |
| C11 | C10 | H13 | 109.4° | 109.4° |
| C10 | C11 | H16 | 108.5° | 109.5° |
| C10 | C11 | H17 | 108.6° | 109.5° |
| C12 | N2 | C11 | 114.7° | 120.0° |
| N2 | C12 | C13 | 123.9° | 119.2° |
| N2 | C12 | C17 | 116.5° | 119.1° |
| C12 | N2 | H26 | 108.1° | 120.0° |
| N2 | C11 | H16 | 108.6° | 109.4° |
| N2 | C11 | H17 | 108.6° | 109.4° |
| C11 | N2 | H26 | 108.1° | 120.0° |
| C7 | C8 | C9 | 117.8° | 109.5° |
| C8 | C7 | C6 | 103.6° | 109.4° |
| C8 | C7 | H8 | 110.9° | 109.5° |
| C8 | C7 | H9 | 110.9° | 109.5° |
| C7 | C8 | H10 | 107.4° | 109.5° |
| C7 | C8 | H11 | 107.3° | 109.5° |
| C9 | C8 | H10 | 107.3° | 109.4° |
| C9 | C8 | H11 | 107.4° | 109.5° |
| C8 | C9 | H24 | 109.8° | 109.4° |
| C8 | C9 | H25 | 109.8° | 109.5° |
| C12 | C13 | C14 | 119.9° | 120.9° |
| C13 | C12 | C17 | 119.6° | 121.7° |
| C13 | C14 | C15 | 120.0° | 119.0° |
| C13 | C14 | H18 | 120.0° | 120.5° |
| C7 | C6 | N1 | 115.3° | 109.5° |
| C7 | C6 | H6 | 108.0° | 109.5° |
| C7 | C6 | H7 | 108.0° | 109.5° |
| C6 | C7 | H8 | 110.9° | 109.5° |
| C6 | C7 | H9 | 110.9° | 109.4° |
| C18 | C5 | N1 | 99.4° | 109.5° |
| C5 | C18 | O6 | 132.6° | 109.4° |
| C18 | C5 | H5 | 113.1° | 109.5° |
| C5 | C18 | H20 | 100.4° | 109.5° |
| C5 | N1 | C6 | 101.9° | 111.0° |
| C5 | N1 | H1 | 111.3° | 111.0° |
| N1 | C5 | H5 | 118.2° | 109.5° |
| O6 | C18 | H20 | 101.7° | 109.4° |
| C18 | O6 | H34 | 109.5° | 114.0° |
| C6 | N1 | H1 | 111.3° | 111.0° |
| N1 | C6 | H6 | 108.0° | 109.4° |
| N1 | C6 | H7 | 108.0° | 109.5° |
| C12 | C17 | C16 | 120.4° | 120.9° |
| C12 | C17 | H14 | 119.8° | 119.6° |
| C14 | C15 | C16 | 119.7° | 118.5° |
| C14 | C15 | N4 | 121.3° | 120.7° |
| C15 | C14 | H18 | 120.0° | 120.5° |
| C17 | C16 | C15 | 120.4° | 119.0° |
| C16 | C17 | H14 | 119.8° | 119.5° |
| C17 | C16 | H19 | 119.8° | 120.5° |
| C16 | C15 | N4 | 119.0° | 120.8° |
| C15 | C16 | H19 | 119.8° | 120.4° |
| C15 | N4 | N5 | 120.4° | 120.0° |
| N4 | N5 | N6 | 110.1° | 180.0° |
| H3 | C4 | H4 | 109.5° | 109.6° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.4° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H16 | C11 | H17 | 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 | 119.0° | 119.9° |
| O2 | C3 | C2 | H23 | 119.0° | 120.1° |
| O2 | C3 | C2 | O3 | 168.2° | 65.1° |
| O2 | C3 | C2 | C1 | 67.5° | 55.0° |
| O2 | C3 | C2 | C4 | 92.0° | 175.0° |
| O2 | C3 | H22 | H23 | 122.9° | 120.0° |
| C3 | C2 | O3 | C1 | 127.4° | 120.0° |
| C3 | C2 | O3 | C4 | 129.2° | 119.9° |
| C3 | C2 | C1 | O1 | 113.7° | 60.0° |
| C3 | C2 | C1 | C4 | 163.6° | 120.0° |
| C3 | C2 | C1 | C19 | 133.0° | 180.0° |
| C3 | C2 | C4 | C5 | 102.3° | 180.0° |
| C3 | C2 | C4 | H3 | 134.2° | 60.1° |
| C3 | C2 | C4 | H4 | 21.1° | 60.0° |
| C3 | C2 | C1 | H15 | 13.9° | 60.0° |
| C2 | C3 | H22 | H23 | 122.9° | 120.0° |
| C2 | C3 | O2 | H32 | 180.0° | 180.0° |
| C3 | C2 | O3 | H33 | 180.0° | 60.0° |
| O3 | C2 | C1 | O1 | 9.9° | 60.0° |
| O3 | C2 | C1 | C4 | 92.6° | 120.0° |
| O3 | C2 | C1 | C19 | 123.1° | 60.0° |
| O3 | C2 | C4 | C5 | 154.2° | 60.0° |
| O3 | C2 | C4 | H3 | 30.8° | 180.0° |
| O3 | C2 | C4 | H4 | 82.3° | 59.9° |
| O3 | C2 | C1 | H15 | 117.8° | 180.0° |
| O3 | C2 | C3 | H22 | 49.2° | 175.0° |
| O3 | C2 | C3 | H23 | 72.8° | 55.0° |
| O1 | C1 | C2 | C19 | 113.2° | 120.0° |
| O1 | C1 | C2 | H15 | 127.7° | 120.0° |
| O1 | C1 | C2 | C4 | 82.7° | 180.0° |
| O1 | C1 | C19 | H15 | 113.6° | 120.0° |
| O1 | C1 | C19 | O7 | 157.8° | 60.0° |
| O1 | C1 | C19 | C18 | 103.4° | 180.0° |
| O1 | C1 | C19 | H21 | 26.5° | 60.1° |
| C2 | C1 | C19 | H15 | 120.0° | 120.0° |
| C2 | C1 | C19 | O7 | 75.7° | 180.0° |
| C2 | C1 | C19 | C18 | 23.0° | 60.0° |
| C1 | C2 | C4 | C5 | 60.8° | 60.0° |
| C1 | C2 | C4 | H3 | 62.7° | 60.0° |
| C1 | C2 | C4 | H4 | 175.8° | 179.9° |
| C2 | C1 | C19 | H21 | 152.9° | 60.0° |
| C1 | C2 | C3 | H22 | 51.4° | 65.0° |
| C1 | C2 | C3 | H23 | 173.5° | 175.0° |
| C2 | C1 | O1 | H31 | 180.0° | 180.0° |
| C1 | C2 | O3 | H33 | 52.6° | 60.0° |
| C4 | C2 | C1 | C19 | 30.5° | 60.0° |
| C2 | C4 | C5 | H3 | 123.4° | 120.0° |
| C2 | C4 | C5 | H4 | 123.4° | 119.9° |
| C2 | C4 | C5 | C18 | 56.3° | 60.0° |
| C2 | C4 | C5 | N1 | 157.8° | 60.0° |
| C2 | C4 | H3 | H4 | 107.3° | 120.0° |
| C2 | C4 | C5 | H5 | 72.3° | 180.0° |
| C4 | C2 | C1 | H15 | 149.6° | 60.0° |
| C4 | C2 | C3 | H22 | 149.0° | 55.0° |
| C4 | C2 | C3 | H23 | 27.0° | 65.0° |
| C4 | C2 | O3 | H33 | 50.8° | 180.0° |
| C1 | C19 | O7 | C18 | 113.8° | 120.0° |
| C1 | C19 | O7 | H21 | 119.4° | 120.0° |
| C1 | C19 | C18 | H21 | 129.9° | 119.9° |
| C1 | C19 | C18 | C5 | 17.6° | 60.0° |
| C1 | C19 | C18 | O6 | 130.9° | 180.0° |
| C1 | C19 | C18 | H20 | 125.6° | 60.1° |
| C19 | C1 | O1 | H31 | 52.4° | 60.0° |
| C1 | C19 | O7 | H35 | 180.0° | 180.0° |
| O5 | N3 | O4 | C13 | 179.8° | 179.9° |
| O5 | N3 | C13 | C12 | 17.5° | 38.1° |
| O5 | N3 | C13 | C14 | 162.7° | 142.2° |
| O4 | N3 | C13 | C12 | 162.2° | 141.8° |
| O4 | N3 | C13 | C14 | 17.5° | 37.8° |
| N3 | C13 | C12 | N2 | 0.9° | 0.1° |
| N3 | C13 | C12 | C14 | 179.7° | 179.7° |
| N3 | C13 | C12 | C17 | 179.9° | 180.0° |
| N3 | C13 | C14 | C15 | 179.9° | 180.0° |
| N3 | C13 | C14 | H18 | 0.1° | 0.0° |
| O7 | C19 | C18 | H21 | 136.3° | 120.1° |
| O7 | C19 | C18 | C5 | 76.2° | 180.0° |
| O7 | C19 | C18 | O6 | 135.3° | 60.0° |
| O7 | C19 | C1 | H15 | 44.3° | 60.0° |
| O7 | C19 | C18 | H20 | 31.8° | 60.0° |
| C19 | C18 | C5 | C4 | 27.0° | 60.1° |
| C19 | C18 | C5 | O6 | 135.4° | 120.0° |
| C19 | C18 | C5 | H20 | 108.0° | 120.1° |
| C19 | C18 | C5 | N1 | 126.9° | 59.9° |
| C19 | C18 | O6 | H20 | 102.4° | 120.0° |
| C19 | C18 | C5 | H5 | 106.9° | 180.0° |
| C18 | C19 | C1 | H15 | 143.0° | 60.0° |
| C19 | C18 | O6 | H34 | 180.0° | 60.0° |
| C18 | C19 | O7 | H35 | 66.2° | 60.0° |
| C4 | C5 | C18 | N1 | 99.9° | 120.0° |
| C4 | C5 | C18 | H5 | 133.9° | 119.9° |
| C4 | C5 | N1 | H5 | 132.4° | 120.0° |
| C4 | C5 | C18 | O6 | 108.4° | 180.0° |
| C4 | C5 | N1 | C6 | 47.3° | 155.0° |
| C4 | C5 | N1 | H1 | 166.1° | 81.1° |
| C5 | C4 | H3 | H4 | 107.3° | 120.0° |
| C4 | C5 | C18 | H20 | 135.0° | 60.0° |
| C9 | C10 | C11 | H12 | 120.0° | 120.0° |
| C9 | C10 | C11 | H13 | 120.0° | 120.0° |
| C9 | C10 | C11 | N2 | 147.0° | 180.0° |
| C10 | C9 | C8 | C7 | 164.7° | 180.0° |
| C10 | C9 | C8 | H24 | 119.8° | 120.0° |
| C10 | C9 | C8 | H25 | 119.8° | 120.1° |
| C10 | C9 | C8 | H10 | 43.5° | 60.0° |
| C10 | C9 | C8 | H11 | 74.1° | 59.9° |
| C9 | C10 | H12 | H13 | 119.9° | 120.0° |
| C9 | C10 | C11 | H16 | 26.5° | 60.1° |
| C9 | C10 | C11 | H17 | 92.4° | 60.0° |
| C10 | C9 | H24 | H25 | 120.7° | 120.1° |
| C10 | C11 | N2 | C12 | 168.4° | 180.0° |
| C10 | C11 | N2 | H16 | 120.5° | 120.0° |
| C10 | C11 | N2 | H17 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 86.8° | 180.0° |
| C11 | C10 | H12 | H13 | 119.9° | 120.0° |
| C10 | C11 | H16 | H17 | 118.3° | 120.1° |
| C11 | C10 | C9 | H24 | 153.4° | 60.1° |
| C11 | C10 | C9 | H25 | 33.0° | 60.0° |
| C10 | C11 | N2 | H26 | 70.8° | 0.1° |
| C12 | N2 | C11 | H26 | 120.8° | 180.0° |
| N2 | C12 | C13 | C17 | 179.2° | 179.9° |
| N2 | C12 | C13 | C14 | 179.4° | 179.7° |
| N2 | C12 | C17 | C16 | 179.4° | 180.0° |
| N2 | C12 | C17 | H14 | 0.6° | 0.2° |
| C12 | N2 | C11 | H16 | 71.1° | 60.0° |
| C12 | N2 | C11 | H17 | 47.9° | 60.0° |
| C11 | N2 | C12 | C13 | 172.9° | 174.0° |
| C11 | N2 | C12 | C17 | 6.3° | 5.9° |
| N2 | C11 | C10 | H12 | 92.9° | 60.0° |
| N2 | C11 | C10 | H13 | 27.0° | 60.0° |
| N2 | C11 | H16 | H17 | 118.4° | 119.9° |
| C7 | C8 | C9 | H10 | 121.2° | 120.0° |
| C7 | C8 | C9 | H11 | 121.2° | 120.0° |
| C8 | C7 | C6 | H8 | 119.1° | 120.0° |
| C8 | C7 | C6 | H9 | 119.1° | 120.0° |
| C8 | C7 | C6 | N1 | 164.8° | 180.0° |
| C8 | C7 | C6 | H6 | 44.0° | 60.0° |
| C8 | C7 | C6 | H7 | 74.3° | 60.0° |
| C8 | C7 | H8 | H9 | 122.7° | 120.1° |
| C7 | C8 | H10 | H11 | 116.2° | 120.1° |
| C7 | C8 | C9 | H24 | 45.0° | 60.0° |
| C7 | C8 | C9 | H25 | 75.5° | 60.0° |
| C9 | C8 | C7 | C6 | 148.3° | 180.0° |
| C9 | C8 | C7 | H8 | 92.6° | 60.0° |
| C9 | C8 | C7 | H9 | 29.2° | 60.0° |
| C9 | C8 | H10 | H11 | 116.2° | 120.0° |
| C8 | C9 | C10 | H12 | 153.1° | 59.9° |
| C8 | C9 | C10 | H13 | 33.2° | 60.1° |
| C8 | C9 | H24 | H25 | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C13 | C12 | C17 | C16 | 0.2° | 0.1° |
| C13 | C12 | C17 | H14 | 179.8° | 179.7° |
| C12 | C13 | C14 | H18 | 179.8° | 179.7° |
| C13 | C12 | N2 | H26 | 66.4° | 6.1° |
| C14 | C13 | C12 | C17 | 0.2° | 0.4° |
| C13 | C14 | C15 | H18 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | N4 | 180.0° | 179.7° |
| C7 | C6 | N1 | C5 | 136.7° | 180.0° |
| C7 | C6 | N1 | H6 | 120.8° | 120.0° |
| C7 | C6 | N1 | H7 | 120.8° | 120.0° |
| C7 | C6 | N1 | H1 | 104.5° | 56.0° |
| C7 | C6 | H6 | H7 | 117.3° | 120.0° |
| C6 | C7 | H8 | H9 | 122.7° | 119.9° |
| C6 | C7 | C8 | H10 | 90.5° | 60.0° |
| C6 | C7 | C8 | H11 | 27.1° | 60.0° |
| C18 | C5 | N1 | H5 | 122.7° | 120.0° |
| C5 | C18 | O6 | H20 | 116.1° | 120.0° |
| C18 | C5 | N1 | C6 | 152.2° | 85.0° |
| C18 | C5 | N1 | H1 | 89.0° | 38.9° |
| C18 | C5 | C4 | H3 | 67.2° | 59.9° |
| C18 | C5 | C4 | H4 | 179.7° | 180.0° |
| C5 | C18 | C19 | H21 | 147.5° | 59.9° |
| C5 | C18 | O6 | H34 | 38.5° | 180.0° |
| N1 | C5 | C18 | O6 | 8.6° | 60.0° |
| C5 | N1 | C6 | H1 | 118.8° | 124.0° |
| N1 | C5 | C4 | H3 | 34.4° | 179.9° |
| N1 | C5 | C4 | H4 | 78.7° | 59.9° |
| C5 | N1 | C6 | H6 | 102.5° | 60.0° |
| C5 | N1 | C6 | H7 | 15.9° | 60.0° |
| N1 | C5 | C18 | H20 | 125.1° | 180.0° |
| O6 | C18 | C5 | H5 | 117.7° | 60.1° |
| O6 | C18 | C19 | H21 | 1.0° | 60.1° |
| C6 | N1 | C5 | H5 | 85.1° | 35.0° |
| N1 | C6 | H6 | H7 | 117.4° | 120.0° |
| N1 | C6 | C7 | H8 | 76.1° | 60.0° |
| N1 | C6 | C7 | H9 | 45.8° | 60.0° |
| C12 | C17 | C16 | H14 | 180.0° | 179.8° |
| C12 | C17 | C16 | C15 | 0.2° | 0.2° |
| C12 | C17 | C16 | H19 | 179.8° | 179.8° |
| C17 | C12 | N2 | H26 | 114.4° | 174.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.2° |
| C14 | C15 | C16 | N4 | 179.8° | 179.8° |
| C14 | C15 | N4 | N5 | 59.6° | 179.7° |
| C14 | C15 | C16 | H19 | 179.8° | 179.7° |
| C17 | C16 | C15 | H19 | 180.0° | 180.0° |
| C17 | C16 | C15 | N4 | 180.0° | 180.0° |
| C16 | C15 | N4 | N5 | 120.5° | 0.0° |
| C15 | C16 | C17 | H14 | 179.9° | 180.0° |
| C16 | C15 | C14 | H18 | 179.8° | 180.0° |
| C15 | N4 | N5 | N6 | 179.8° | 147.4° |
| N4 | C15 | C14 | H18 | 0.0° | 0.3° |
| N4 | C15 | C16 | H19 | 0.0° | 0.0° |
| H1 | N1 | C5 | H5 | 33.7° | 159.0° |
| H1 | N1 | C6 | H6 | 16.3° | 176.0° |
| H1 | N1 | C6 | H7 | 134.6° | 64.0° |
| H3 | C4 | C5 | H5 | 164.3° | 60.0° |
| H4 | C4 | C5 | H5 | 51.1° | 60.1° |
| H5 | C5 | C18 | H20 | 1.1° | 59.9° |
| H6 | C6 | C7 | H8 | 163.1° | 179.9° |
| H6 | C6 | C7 | H9 | 75.1° | 60.0° |
| H7 | C6 | C7 | H8 | 44.7° | 60.0° |
| H7 | C6 | C7 | H9 | 166.6° | 180.0° |
| H8 | C7 | C8 | H10 | 28.5° | 180.0° |
| H8 | C7 | C8 | H11 | 146.2° | 60.0° |
| H9 | C7 | C8 | H10 | 150.4° | 59.9° |
| H9 | C7 | C8 | H11 | 92.0° | 180.0° |
| H10 | C8 | C9 | H24 | 76.2° | 180.0° |
| H10 | C8 | C9 | H25 | 163.3° | 60.0° |
| H11 | C8 | C9 | H24 | 166.1° | 60.0° |
| H11 | C8 | C9 | H25 | 45.7° | 180.0° |
| H12 | C10 | C11 | H16 | 146.5° | 60.0° |
| H12 | C10 | C11 | H17 | 27.6° | 180.0° |
| H12 | C10 | C9 | H24 | 33.3° | 60.0° |
| H12 | C10 | C9 | H25 | 87.1° | 180.0° |
| H13 | C10 | C11 | H16 | 93.5° | 180.0° |
| H13 | C10 | C11 | H17 | 147.6° | 60.0° |
| H13 | C10 | C9 | H24 | 86.6° | 180.0° |
| H13 | C10 | C9 | H25 | 153.0° | 60.0° |
| H14 | C17 | C16 | H19 | 0.2° | 0.0° |
| H15 | C1 | C19 | H21 | 87.1° | 180.0° |
| H15 | C1 | O1 | H31 | 54.9° | 60.0° |
| H16 | C11 | N2 | H26 | 49.7° | 120.0° |
| H17 | C11 | N2 | H26 | 168.6° | 120.0° |
| H20 | C18 | C19 | H21 | 104.5° | 180.0° |
| H20 | C18 | O6 | H34 | 77.6° | 60.0° |
| H21 | C19 | O7 | H35 | 60.6° | 60.1° |
| H22 | C3 | O2 | H32 | 61.0° | 60.1° |
| H23 | C3 | O2 | H32 | 61.0° | 60.0° |
