X5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O2 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C10 | sing | 1.35Å | 1.34Å | |
| C10 | O3 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | N4 | sing | 1.49Å | 1.47Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C20 | O4 | doub | 1.21Å | 1.25Å | |
| C20 | O5 | sing | 1.34Å | 1.25Å | |
| C19 | C21 | sing | 1.54Å | 1.57Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | S1 | sing | 1.84Å | 1.80Å | |
| C3 | C24 | sing | 1.51Å | 1.54Å | |
| C24 | O6 | doub | 1.21Å | 1.26Å | |
| C24 | O7 | sing | 1.34Å | 1.25Å | |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | S1 | sing | 1.84Å | 1.81Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | H33 | sing | 1.01Å | 1.00Å | |
| O5 | 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) |
| C1 | C2 | O1 | 122.1° | 120.0° |
| C1 | C2 | N1 | 115.8° | 120.0° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| O1 | C2 | N1 | 122.1° | 120.0° |
| C2 | N1 | C3 | 122.9° | 120.0° |
| C2 | N1 | H4 | 118.5° | 120.0° |
| N1 | C3 | C4 | 113.0° | 109.5° |
| N1 | C3 | C24 | 108.7° | 109.4° |
| C3 | N1 | H4 | 118.5° | 120.0° |
| N1 | C3 | H5 | 110.3° | 109.4° |
| C3 | C4 | C5 | 114.5° | 109.5° |
| C4 | C3 | C24 | 106.7° | 109.5° |
| C3 | C4 | H7 | 108.2° | 109.5° |
| C3 | C4 | H6 | 108.2° | 109.5° |
| C4 | C3 | H5 | 109.1° | 109.5° |
| C4 | C5 | C6 | 118.1° | 109.5° |
| C5 | C4 | H7 | 108.2° | 109.5° |
| C5 | C4 | H6 | 108.2° | 109.5° |
| C4 | C5 | H9 | 107.3° | 109.5° |
| C4 | C5 | H8 | 107.3° | 109.5° |
| C5 | C6 | C7 | 112.0° | 109.5° |
| C6 | C5 | H9 | 107.3° | 109.4° |
| C6 | C5 | H8 | 107.3° | 109.4° |
| C5 | C6 | H10 | 108.8° | 109.5° |
| C5 | C6 | H11 | 108.8° | 109.5° |
| C6 | C7 | N2 | 111.3° | 109.5° |
| C7 | C6 | H10 | 108.8° | 109.5° |
| C7 | C6 | H11 | 108.8° | 109.5° |
| C6 | C7 | H12 | 109.0° | 109.5° |
| C6 | C7 | H13 | 109.0° | 109.5° |
| C7 | N2 | C8 | 122.0° | 120.0° |
| N2 | C7 | H12 | 109.0° | 109.4° |
| N2 | C7 | H13 | 109.0° | 109.4° |
| C7 | N2 | H14 | 119.0° | 120.0° |
| N2 | C8 | O2 | 123.4° | 120.0° |
| N2 | C8 | C9 | 116.3° | 120.0° |
| C8 | N2 | H14 | 119.0° | 120.0° |
| O2 | C8 | C9 | 120.2° | 120.0° |
| C8 | C9 | N3 | 109.6° | 109.5° |
| C8 | C9 | C18 | 115.8° | 109.5° |
| C8 | C9 | H15 | 103.3° | 109.5° |
| C9 | N3 | C10 | 116.9° | 120.0° |
| N3 | C9 | C18 | 118.9° | 109.5° |
| N3 | C9 | H15 | 104.0° | 109.5° |
| C9 | N3 | H16 | 121.5° | 120.0° |
| N3 | C10 | O3 | 122.4° | 120.0° |
| N3 | C10 | C11 | 116.4° | 120.0° |
| C10 | N3 | H16 | 121.5° | 120.0° |
| O3 | C10 | C11 | 121.0° | 120.0° |
| C10 | C11 | C12 | 111.6° | 109.5° |
| C10 | C11 | H17 | 108.9° | 109.5° |
| C10 | C11 | H18 | 108.9° | 109.4° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C11 | C12 | C17 | 120.7° | 120.0° |
| C12 | C11 | H17 | 108.9° | 109.5° |
| C12 | C11 | H18 | 108.9° | 109.4° |
| C12 | C13 | C14 | 120.7° | 120.0° |
| C13 | C12 | C17 | 118.8° | 120.0° |
| C12 | C13 | H19 | 119.6° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H20 | 120.1° | 120.0° |
| C14 | C13 | H19 | 119.6° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C15 | C14 | H20 | 120.1° | 120.0° |
| C14 | C15 | H21 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C16 | C15 | H21 | 119.9° | 120.0° |
| C15 | C16 | H22 | 120.0° | 120.0° |
| C16 | C17 | C12 | 120.4° | 120.0° |
| C17 | C16 | H22 | 120.0° | 120.0° |
| C16 | C17 | H23 | 119.8° | 120.0° |
| C9 | C18 | N4 | 119.4° | 111.1° |
| C9 | C18 | S1 | 115.8° | 111.1° |
| C18 | C9 | H15 | 103.0° | 109.4° |
| C9 | C18 | H24 | 107.3° | 111.0° |
| C18 | N4 | C19 | 111.8° | 110.9° |
| N4 | C18 | S1 | 100.3° | 100.9° |
| N4 | C18 | H24 | 108.3° | 111.2° |
| C18 | N4 | H33 | 108.9° | 111.0° |
| N4 | C19 | C20 | 110.8° | 108.9° |
| N4 | C19 | C21 | 112.4° | 112.9° |
| N4 | C19 | H26 | 107.9° | 108.7° |
| C19 | N4 | H33 | 108.9° | 111.0° |
| C19 | C20 | O4 | 117.8° | 119.9° |
| C19 | C20 | O5 | 116.6° | 120.1° |
| C20 | C19 | C21 | 111.6° | 108.8° |
| C20 | C19 | H26 | 107.1° | 108.7° |
| O4 | C20 | O5 | 125.6° | 120.0° |
| C20 | O5 | H34 | 109.5° | 117.1° |
| C19 | C21 | C22 | 114.8° | 110.6° |
| C19 | C21 | C23 | 113.3° | 110.6° |
| C19 | C21 | S1 | 98.7° | 103.5° |
| C21 | C19 | H26 | 106.8° | 108.8° |
| C22 | C21 | C23 | 109.7° | 110.6° |
| C22 | C21 | S1 | 108.3° | 110.6° |
| C21 | C22 | H27 | 109.5° | 109.4° |
| C21 | C22 | H28 | 109.5° | 109.5° |
| C21 | C22 | H29 | 109.4° | 109.5° |
| C23 | C21 | S1 | 111.6° | 110.8° |
| C21 | C23 | H30 | 109.5° | 109.5° |
| C21 | C23 | H31 | 109.5° | 109.5° |
| C21 | C23 | H32 | 109.5° | 109.5° |
| C21 | S1 | C18 | 93.3° | 94.9° |
| C3 | C24 | O6 | 119.7° | 120.0° |
| C3 | C24 | O7 | 114.5° | 119.9° |
| C24 | C3 | H5 | 109.1° | 109.5° |
| O6 | C24 | O7 | 125.8° | 120.0° |
| C24 | O7 | H35 | 109.5° | 117.0° |
| C12 | C17 | H23 | 119.8° | 120.0° |
| S1 | C18 | H24 | 104.8° | 111.1° |
| H7 | C4 | H6 | 109.5° | 109.4° |
| H9 | C5 | H8 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.4° | 109.4° |
| H27 | C22 | H29 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| H30 | C23 | H32 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | N1 | 179.8° | 179.9° |
| C1 | C2 | N1 | C3 | 177.2° | 180.0° |
| C1 | C2 | N1 | H4 | 2.8° | 0.0° |
| C2 | C1 | H3 | H1 | 120.0° | 119.9° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| O1 | C2 | N1 | C3 | 2.6° | 0.0° |
| O1 | C2 | N1 | H4 | 177.3° | 180.0° |
| O1 | C2 | C1 | H3 | 0.0° | 0.1° |
| O1 | C2 | C1 | H1 | 120.0° | 120.0° |
| O1 | C2 | C1 | H2 | 120.0° | 119.9° |
| C2 | N1 | C3 | H4 | 180.0° | 180.0° |
| C2 | N1 | C3 | C4 | 108.6° | 155.0° |
| C2 | N1 | C3 | C24 | 133.2° | 85.0° |
| C2 | N1 | C3 | H5 | 13.7° | 35.0° |
| N1 | C2 | C1 | H3 | 179.8° | 180.0° |
| N1 | C2 | C1 | H1 | 60.1° | 60.1° |
| N1 | C2 | C1 | H2 | 59.9° | 60.0° |
| N1 | C3 | C4 | C24 | 119.3° | 120.0° |
| N1 | C3 | C4 | H5 | 123.0° | 120.0° |
| N1 | C3 | C4 | C5 | 15.3° | 65.0° |
| N1 | C3 | C24 | H5 | 120.3° | 119.9° |
| N1 | C3 | C24 | O6 | 116.7° | 0.0° |
| N1 | C3 | C24 | O7 | 63.8° | 180.0° |
| N1 | C3 | C4 | H7 | 105.5° | 175.0° |
| N1 | C3 | C4 | H6 | 136.0° | 55.0° |
| C3 | C4 | C5 | H7 | 120.7° | 120.0° |
| C3 | C4 | C5 | H6 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 75.5° | 180.0° |
| C4 | C3 | C24 | H5 | 117.7° | 120.0° |
| C4 | C3 | C24 | O6 | 121.2° | 120.0° |
| C4 | C3 | C24 | O7 | 58.3° | 60.0° |
| C3 | C4 | H7 | H6 | 117.7° | 120.0° |
| C3 | C4 | C5 | H9 | 163.3° | 60.0° |
| C3 | C4 | C5 | H8 | 45.8° | 60.0° |
| C4 | C3 | N1 | H4 | 71.4° | 25.0° |
| C4 | C5 | C6 | H9 | 121.2° | 120.0° |
| C4 | C5 | C6 | H8 | 121.3° | 120.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C5 | C4 | C3 | C24 | 134.6° | 175.0° |
| C5 | C4 | H7 | H6 | 117.7° | 120.0° |
| C4 | C5 | H9 | H8 | 116.1° | 120.1° |
| C4 | C5 | C6 | H10 | 59.4° | 60.0° |
| C4 | C5 | C6 | H11 | 59.8° | 60.0° |
| C5 | C4 | C3 | H5 | 107.7° | 55.0° |
| C5 | C6 | C7 | H10 | 120.4° | 120.0° |
| C5 | C6 | C7 | H11 | 120.4° | 120.0° |
| C5 | C6 | C7 | N2 | 58.6° | 180.0° |
| C6 | C5 | C4 | H7 | 45.2° | 60.0° |
| C6 | C5 | C4 | H6 | 163.8° | 60.0° |
| C6 | C5 | H9 | H8 | 116.1° | 119.9° |
| C5 | C6 | H10 | H11 | 118.8° | 120.0° |
| C5 | C6 | C7 | H12 | 61.7° | 60.0° |
| C5 | C6 | C7 | H13 | 178.9° | 60.0° |
| C6 | C7 | N2 | H12 | 120.3° | 120.0° |
| C6 | C7 | N2 | H13 | 120.3° | 120.0° |
| C6 | C7 | N2 | C8 | 115.0° | 180.0° |
| C7 | C6 | C5 | H9 | 59.0° | 60.0° |
| C7 | C6 | C5 | H8 | 58.5° | 60.0° |
| C7 | C6 | H10 | H11 | 118.9° | 120.0° |
| C6 | C7 | H12 | H13 | 119.1° | 120.0° |
| C6 | C7 | N2 | H14 | 65.0° | 0.0° |
| C7 | N2 | C8 | H14 | 180.0° | 180.0° |
| C7 | N2 | C8 | O2 | 5.4° | 0.0° |
| C7 | N2 | C8 | C9 | 171.0° | 180.0° |
| N2 | C7 | C6 | H10 | 179.0° | 60.0° |
| N2 | C7 | C6 | H11 | 61.8° | 60.0° |
| N2 | C7 | H12 | H13 | 119.2° | 119.9° |
| N2 | C8 | O2 | C9 | 176.3° | 180.0° |
| N2 | C8 | C9 | N3 | 160.8° | 180.0° |
| N2 | C8 | C9 | C18 | 61.3° | 60.0° |
| C8 | N2 | C7 | H12 | 124.7° | 60.0° |
| C8 | N2 | C7 | H13 | 5.3° | 60.0° |
| N2 | C8 | C9 | H15 | 50.5° | 60.0° |
| O2 | C8 | C9 | N3 | 22.7° | 0.0° |
| O2 | C8 | C9 | C18 | 115.3° | 120.0° |
| O2 | C8 | C9 | H15 | 133.0° | 120.0° |
| O2 | C8 | N2 | H14 | 174.6° | 180.0° |
| C8 | C9 | N3 | C18 | 136.5° | 120.0° |
| C8 | C9 | N3 | H15 | 109.8° | 120.0° |
| C8 | C9 | N3 | C10 | 133.9° | 155.0° |
| C8 | C9 | C18 | H15 | 111.9° | 120.0° |
| C8 | C9 | C18 | N4 | 33.1° | 175.0° |
| C8 | C9 | C18 | S1 | 153.0° | 73.5° |
| C9 | C8 | N2 | H14 | 9.0° | 0.0° |
| C8 | C9 | N3 | H16 | 46.1° | 25.0° |
| C8 | C9 | C18 | H24 | 90.5° | 50.8° |
| C9 | N3 | C10 | H16 | 180.0° | 180.0° |
| C9 | N3 | C10 | O3 | 9.8° | 0.0° |
| C9 | N3 | C10 | C11 | 166.5° | 180.0° |
| N3 | C9 | C18 | H15 | 114.2° | 120.0° |
| N3 | C9 | C18 | N4 | 100.8° | 55.0° |
| N3 | C9 | C18 | S1 | 19.1° | 166.5° |
| N3 | C9 | C18 | H24 | 135.7° | 69.2° |
| N3 | C10 | O3 | C11 | 176.2° | 180.0° |
| N3 | C10 | C11 | C12 | 91.4° | 180.0° |
| C10 | N3 | C9 | C18 | 89.6° | 85.0° |
| N3 | C10 | C11 | H17 | 148.3° | 60.0° |
| N3 | C10 | C11 | H18 | 28.9° | 60.0° |
| C10 | N3 | C9 | H15 | 24.1° | 35.0° |
| O3 | C10 | C11 | C12 | 92.2° | 0.0° |
| O3 | C10 | C11 | H17 | 28.1° | 120.0° |
| O3 | C10 | C11 | H18 | 147.5° | 120.0° |
| O3 | C10 | N3 | H16 | 170.2° | 180.0° |
| C10 | C11 | C12 | H17 | 120.3° | 120.1° |
| C10 | C11 | C12 | H18 | 120.3° | 119.9° |
| C10 | C11 | C12 | C13 | 37.0° | 90.1° |
| C10 | C11 | C12 | C17 | 142.0° | 90.5° |
| C10 | C11 | H17 | H18 | 119.0° | 120.0° |
| C11 | C10 | N3 | H16 | 13.5° | 0.0° |
| C11 | C12 | C13 | C17 | 179.0° | 179.4° |
| C11 | C12 | C13 | C14 | 179.4° | 180.0° |
| C11 | C12 | C17 | C16 | 179.3° | 179.7° |
| C12 | C11 | H17 | H18 | 119.0° | 119.9° |
| C11 | C12 | C13 | H19 | 0.6° | 0.0° |
| C11 | C12 | C17 | H23 | 0.6° | 0.6° |
| C12 | C13 | C14 | H19 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C17 | C16 | 0.4° | 0.9° |
| C12 | C13 | C14 | H20 | 179.7° | 179.7° |
| C13 | C12 | C11 | H17 | 83.4° | 30.0° |
| C13 | C12 | C11 | H18 | 157.3° | 150.0° |
| C13 | C12 | C17 | H23 | 179.6° | 180.0° |
| C13 | C14 | C15 | H20 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.0° | 0.2° |
| C14 | C13 | C12 | C17 | 0.5° | 0.6° |
| C13 | C14 | C15 | H21 | 179.9° | 179.7° |
| C14 | C15 | C16 | H21 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C13 | H19 | 179.7° | 180.0° |
| C14 | C15 | C16 | H22 | 179.9° | 180.0° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.7° |
| C16 | C15 | C14 | H20 | 180.0° | 180.0° |
| C15 | C16 | C17 | H23 | 179.9° | 179.7° |
| C16 | C17 | C12 | H23 | 180.0° | 179.1° |
| C17 | C16 | C15 | H21 | 179.9° | 179.9° |
| C9 | C18 | N4 | S1 | 127.5° | 117.9° |
| C9 | C18 | N4 | H24 | 123.0° | 124.2° |
| C9 | C18 | N4 | C19 | 162.5° | 160.4° |
| C9 | C18 | S1 | C21 | 175.0° | 152.5° |
| C9 | C18 | S1 | H24 | 117.9° | 124.2° |
| C18 | C9 | N3 | H16 | 90.4° | 95.0° |
| C9 | C18 | N4 | H33 | 42.1° | 36.5° |
| C18 | N4 | C19 | H33 | 120.3° | 123.9° |
| C18 | N4 | C19 | C20 | 119.0° | 89.0° |
| C18 | N4 | C19 | C21 | 6.6° | 31.9° |
| N4 | C18 | S1 | C21 | 45.1° | 34.6° |
| N4 | C18 | S1 | H24 | 112.2° | 117.9° |
| N4 | C18 | C9 | H15 | 145.0° | 65.0° |
| C18 | N4 | C19 | H26 | 124.0° | 152.7° |
| N4 | C19 | C20 | C21 | 126.0° | 123.4° |
| N4 | C19 | C20 | H26 | 117.4° | 118.2° |
| N4 | C19 | C20 | O4 | 150.2° | 23.4° |
| N4 | C19 | C20 | O5 | 30.5° | 156.7° |
| N4 | C19 | C21 | H26 | 118.1° | 120.7° |
| N4 | C19 | C21 | C22 | 89.5° | 122.4° |
| N4 | C19 | C21 | C23 | 143.4° | 114.7° |
| N4 | C19 | C21 | S1 | 25.4° | 3.9° |
| C19 | N4 | C18 | S1 | 35.0° | 42.5° |
| C19 | N4 | C18 | H24 | 74.5° | 75.4° |
| C19 | C20 | O4 | O5 | 179.2° | 179.9° |
| C20 | C19 | C21 | H26 | 116.7° | 118.3° |
| C20 | C19 | C21 | C22 | 35.7° | 1.5° |
| C20 | C19 | C21 | C23 | 91.4° | 124.3° |
| C20 | C19 | C21 | S1 | 150.5° | 117.1° |
| C20 | C19 | N4 | H33 | 120.6° | 147.0° |
| C19 | C20 | O5 | H34 | 179.2° | 180.0° |
| O4 | C20 | C19 | C21 | 83.7° | 100.0° |
| O4 | C20 | C19 | H26 | 32.8° | 141.7° |
| O4 | C20 | O5 | H34 | 0.0° | 0.1° |
| O5 | C20 | C19 | C21 | 95.5° | 79.9° |
| O5 | C20 | C19 | H26 | 148.0° | 38.4° |
| C19 | C21 | C22 | C23 | 128.9° | 122.9° |
| C19 | C21 | C22 | S1 | 109.1° | 114.1° |
| C19 | C21 | C23 | S1 | 110.3° | 114.1° |
| C19 | C21 | S1 | C18 | 40.0° | 18.3° |
| C19 | C21 | C22 | H27 | 180.0° | 60.0° |
| C19 | C21 | C22 | H28 | 60.0° | 179.9° |
| C19 | C21 | C22 | H29 | 60.0° | 60.0° |
| C19 | C21 | C23 | H30 | 180.0° | 60.0° |
| C19 | C21 | C23 | H31 | 60.0° | 180.0° |
| C19 | C21 | C23 | H32 | 60.0° | 60.0° |
| C21 | C19 | N4 | H33 | 113.8° | 92.0° |
| C22 | C21 | C23 | S1 | 120.0° | 123.0° |
| C22 | C21 | S1 | C18 | 79.7° | 100.2° |
| C22 | C21 | C19 | H26 | 152.4° | 116.9° |
| C21 | C22 | H27 | H28 | 120.0° | 120.0° |
| C21 | C22 | H27 | H29 | 120.0° | 120.0° |
| C21 | C22 | H28 | H29 | 120.0° | 120.0° |
| C22 | C21 | C23 | H30 | 50.3° | 62.8° |
| C22 | C21 | C23 | H31 | 170.3° | 57.1° |
| C22 | C21 | C23 | H32 | 69.7° | 177.2° |
| C23 | C21 | S1 | C18 | 159.4° | 136.9° |
| C23 | C21 | C19 | H26 | 25.3° | 6.0° |
| C23 | C21 | C22 | H27 | 51.1° | 177.1° |
| C23 | C21 | C22 | H28 | 68.9° | 57.2° |
| C23 | C21 | C22 | H29 | 171.1° | 62.9° |
| C21 | C23 | H30 | H31 | 120.0° | 120.0° |
| C21 | C23 | H30 | H32 | 120.0° | 120.0° |
| C21 | C23 | H31 | H32 | 120.0° | 120.0° |
| C21 | S1 | C18 | H24 | 67.1° | 83.3° |
| S1 | C21 | C19 | H26 | 92.8° | 124.6° |
| S1 | C21 | C22 | H27 | 70.9° | 54.0° |
| S1 | C21 | C22 | H28 | 169.1° | 65.9° |
| S1 | C21 | C22 | H29 | 49.1° | 174.0° |
| S1 | C21 | C23 | H30 | 69.7° | 174.2° |
| S1 | C21 | C23 | H31 | 50.3° | 65.9° |
| S1 | C21 | C23 | H32 | 170.3° | 54.2° |
| C3 | C24 | O6 | O7 | 179.4° | 180.0° |
| C24 | C3 | C4 | H7 | 13.9° | 55.0° |
| C24 | C3 | C4 | H6 | 104.7° | 65.0° |
| C24 | C3 | N1 | H4 | 46.8° | 95.0° |
| C3 | C24 | O7 | H35 | 179.5° | 180.0° |
| O6 | C24 | C3 | H5 | 3.6° | 119.9° |
| O6 | C24 | O7 | H35 | 0.0° | 0.1° |
| O7 | C24 | C3 | H5 | 175.9° | 60.0° |
| C17 | C12 | C11 | H17 | 97.7° | 149.4° |
| C17 | C12 | C11 | H18 | 21.6° | 29.4° |
| C17 | C12 | C13 | H19 | 179.5° | 179.4° |
| C12 | C17 | C16 | H22 | 179.9° | 179.4° |
| S1 | C18 | C9 | H15 | 95.1° | 46.5° |
| S1 | C18 | N4 | H33 | 85.4° | 81.5° |
| H7 | C4 | C5 | H9 | 76.0° | 60.0° |
| H7 | C4 | C5 | H8 | 166.5° | 180.0° |
| H7 | C4 | C3 | H5 | 131.5° | 65.0° |
| H6 | C4 | C5 | H9 | 42.5° | 180.0° |
| H6 | C4 | C5 | H8 | 75.0° | 60.0° |
| H6 | C4 | C3 | H5 | 13.0° | 175.0° |
| H20 | C14 | C13 | H19 | 0.3° | 0.3° |
| H20 | C14 | C15 | H21 | 0.0° | 0.0° |
| H9 | C5 | C6 | H10 | 179.3° | 180.0° |
| H9 | C5 | C6 | H11 | 61.4° | 60.0° |
| H8 | C5 | C6 | H10 | 61.9° | 60.0° |
| H8 | C5 | C6 | H11 | 178.9° | 180.0° |
| H10 | C6 | C7 | H12 | 58.7° | 180.0° |
| H10 | C6 | C7 | H13 | 60.7° | 60.0° |
| H11 | C6 | C7 | H12 | 177.9° | 60.0° |
| H11 | C6 | C7 | H13 | 58.5° | 180.0° |
| H12 | C7 | N2 | H14 | 55.3° | 120.0° |
| H13 | C7 | N2 | H14 | 174.7° | 120.1° |
| H15 | C9 | N3 | H16 | 155.9° | 145.0° |
| H15 | C9 | C18 | H24 | 21.4° | 170.8° |
| H4 | N1 | C3 | H5 | 166.3° | 145.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H21 | C15 | C16 | H22 | 0.1° | 0.0° |
| H22 | C16 | C17 | H23 | 0.1° | 0.3° |
| H24 | C18 | N4 | H33 | 165.1° | 160.6° |
| H26 | C19 | N4 | H33 | 3.7° | 28.7° |
| H27 | C22 | H28 | H29 | 120.0° | 120.0° |
| H30 | C23 | H31 | H32 | 120.0° | 120.0° |
