ZX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C19 | sing | 1.43Å | 1.45Å | |
| C19 | C12 | sing | 1.54Å | 1.50Å | |
| C19 | C20 | sing | 1.55Å | 1.50Å | |
| O3 | C20 | sing | 1.43Å | 1.46Å | |
| C1 | C12 | sing | 1.53Å | 1.51Å | |
| C1 | S1 | sing | 1.81Å | 1.84Å | |
| C12 | O1 | sing | 1.44Å | 1.47Å | |
| S1 | C3 | sing | 1.81Å | 1.87Å | |
| C20 | C21 | sing | 1.55Å | 1.50Å | |
| O1 | C21 | sing | 1.44Å | 1.49Å | |
| C21 | N1 | sing | 1.46Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.47Å | |
| C4 | C8 | sing | 1.53Å | 1.58Å | |
| C8 | N7 | sing | 1.47Å | 1.53Å | |
| N4 | C23 | doub | 1.33Å | 1.32Å | Aromatic |
| N4 | C24 | sing | 1.32Å | 1.36Å | Aromatic |
| N1 | C23 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C22 | sing | 1.36Å | 1.34Å | Aromatic |
| C9 | N7 | sing | 1.47Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | N7 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C23 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C24 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | N3 | doub | 1.30Å | 1.36Å | Aromatic |
| C11 | C13 | sing | 1.51Å | 1.55Å | |
| O5 | C7 | doub | 1.21Å | 1.26Å | |
| C7 | O4 | sing | 1.34Å | 1.27Å | |
| C25 | N3 | sing | 1.35Å | 1.47Å | Aromatic |
| C25 | C2 | doub | 1.40Å | 1.37Å | Aromatic |
| N5 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.34Å | 1.36Å | Aromatic |
| C13 | C16 | sing | 1.46Å | 1.51Å | Aromatic |
| C2 | N6 | sing | 1.38Å | 1.45Å | |
| C14 | N8 | sing | 1.37Å | 1.32Å | Aromatic |
| O6 | C17 | doub | 1.22Å | 1.21Å | |
| C16 | C17 | sing | 1.41Å | 1.42Å | |
| C16 | C15 | doub | 1.40Å | 1.46Å | Aromatic |
| C17 | N9 | sing | 1.35Å | 1.39Å | |
| N8 | C15 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | N10 | sing | 1.34Å | 1.35Å | |
| N9 | C18 | sing | 1.36Å | 1.48Å | |
| N10 | C18 | doub | 1.31Å | 1.39Å | |
| C18 | N2 | sing | 1.37Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N6 | H27 | sing | 0.97Å | 1.00Å | |
| N8 | H29 | sing | 0.97Å | 1.00Å | |
| N9 | H30 | sing | 0.97Å | 1.00Å | |
| O2 | H31 | sing | 0.97Å | 0.95Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å | |
| O4 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C19 | C12 | 109.0° | 110.5° |
| O2 | C19 | C20 | 110.1° | 110.5° |
| O2 | C19 | H9 | 111.1° | 110.6° |
| C19 | O2 | H31 | 109.5° | 114.0° |
| C12 | C19 | C20 | 106.0° | 104.1° |
| C19 | C12 | C1 | 120.9° | 109.9° |
| C19 | C12 | O1 | 104.4° | 107.3° |
| C19 | C12 | H7 | 107.9° | 110.0° |
| C12 | C19 | H9 | 110.3° | 110.5° |
| C19 | C20 | O3 | 111.5° | 110.9° |
| C19 | C20 | C21 | 106.7° | 102.1° |
| C20 | C19 | H9 | 110.3° | 110.5° |
| C19 | C20 | H10 | 110.1° | 110.9° |
| O3 | C20 | C21 | 107.9° | 110.9° |
| O3 | C20 | H10 | 110.6° | 110.8° |
| C20 | O3 | H32 | 109.5° | 114.0° |
| C12 | C1 | S1 | 116.4° | 109.5° |
| C1 | C12 | O1 | 107.0° | 109.9° |
| C12 | C1 | H1 | 107.7° | 109.5° |
| C12 | C1 | H2 | 107.7° | 109.5° |
| C1 | C12 | H7 | 107.8° | 109.9° |
| C1 | S1 | C3 | 112.8° | 103.0° |
| S1 | C1 | H1 | 107.7° | 109.4° |
| S1 | C1 | H2 | 107.7° | 109.5° |
| C12 | O1 | C21 | 104.8° | 107.0° |
| O1 | C12 | H7 | 108.3° | 109.9° |
| S1 | C3 | C4 | 106.9° | 109.5° |
| S1 | C3 | C5 | 112.0° | 109.5° |
| S1 | C3 | H14 | 106.5° | 109.6° |
| C20 | C21 | O1 | 104.5° | 103.5° |
| C20 | C21 | N1 | 121.1° | 110.6° |
| C21 | C20 | H10 | 110.0° | 110.9° |
| C20 | C21 | H11 | 107.7° | 110.6° |
| O1 | C21 | N1 | 106.7° | 110.6° |
| O1 | C21 | H11 | 107.8° | 110.7° |
| C21 | N1 | C23 | 126.4° | 126.3° |
| C21 | N1 | C22 | 120.3° | 126.3° |
| N1 | C21 | H11 | 108.3° | 110.6° |
| C4 | C3 | C5 | 109.5° | 109.1° |
| C3 | C4 | C8 | 111.6° | 109.3° |
| C4 | C3 | H14 | 110.5° | 109.5° |
| C3 | C4 | H15 | 108.9° | 109.5° |
| C3 | C4 | H16 | 108.9° | 109.5° |
| C3 | C5 | C6 | 116.2° | 109.3° |
| C5 | C3 | H14 | 111.2° | 109.6° |
| C3 | C5 | H17 | 107.8° | 109.5° |
| C3 | C5 | H18 | 107.8° | 109.5° |
| C4 | C8 | N7 | 112.4° | 109.5° |
| C8 | C4 | H15 | 108.9° | 109.5° |
| C8 | C4 | H16 | 108.9° | 109.5° |
| C4 | C8 | H20 | 108.7° | 109.5° |
| C4 | C8 | H21 | 108.7° | 109.5° |
| C8 | N7 | C9 | 107.7° | 111.0° |
| C8 | N7 | C6 | 112.5° | 111.2° |
| N7 | C8 | H20 | 108.7° | 109.4° |
| N7 | C8 | H21 | 108.8° | 109.5° |
| C23 | N4 | C24 | 112.2° | 120.6° |
| N4 | C23 | N1 | 131.8° | 134.9° |
| N4 | C23 | C25 | 125.6° | 119.1° |
| N4 | C24 | N5 | 127.2° | 122.5° |
| N4 | C24 | H13 | 116.4° | 118.8° |
| C23 | N1 | C22 | 113.2° | 107.5° |
| N1 | C23 | C25 | 102.6° | 106.0° |
| N1 | C22 | N3 | 111.4° | 110.0° |
| N1 | C22 | H12 | 124.3° | 125.1° |
| N7 | C9 | C10 | 110.8° | 109.5° |
| C9 | N7 | C6 | 109.1° | 111.0° |
| N7 | C9 | H22 | 109.1° | 109.4° |
| N7 | C9 | H23 | 109.2° | 109.5° |
| C9 | C10 | C11 | 107.8° | 109.5° |
| C9 | C10 | H3 | 109.9° | 109.4° |
| C9 | C10 | H4 | 109.9° | 109.4° |
| C10 | C9 | H22 | 109.1° | 109.5° |
| C10 | C9 | H23 | 109.1° | 109.5° |
| C5 | C6 | N7 | 111.5° | 109.5° |
| C5 | C6 | C7 | 107.4° | 109.5° |
| C6 | C5 | H17 | 107.8° | 109.5° |
| C6 | C5 | H18 | 107.8° | 109.5° |
| C5 | C6 | H19 | 109.8° | 109.5° |
| N7 | C6 | C7 | 107.8° | 109.5° |
| N7 | C6 | H19 | 110.8° | 109.4° |
| C6 | C7 | O5 | 120.5° | 120.0° |
| C6 | C7 | O4 | 119.9° | 120.0° |
| C7 | C6 | H19 | 109.4° | 109.5° |
| C23 | C25 | N3 | 110.7° | 107.2° |
| C23 | C25 | C2 | 116.9° | 118.1° |
| C10 | C11 | C13 | 108.3° | 109.5° |
| C11 | C10 | H3 | 109.9° | 109.5° |
| C11 | C10 | H4 | 109.9° | 109.4° |
| C10 | C11 | H5 | 109.8° | 109.5° |
| C10 | C11 | H6 | 109.8° | 109.5° |
| C24 | N5 | C2 | 117.7° | 121.1° |
| N5 | C24 | H13 | 116.4° | 118.8° |
| C22 | N3 | C25 | 102.1° | 109.5° |
| N3 | C22 | H12 | 124.3° | 125.0° |
| C11 | C13 | C14 | 123.9° | 126.6° |
| C11 | C13 | C16 | 124.1° | 126.7° |
| C13 | C11 | H5 | 109.8° | 109.5° |
| C13 | C11 | H6 | 109.8° | 109.5° |
| O5 | C7 | O4 | 119.5° | 120.0° |
| C7 | O4 | H33 | 109.5° | 117.0° |
| N3 | C25 | C2 | 132.4° | 134.7° |
| C25 | C2 | N5 | 120.4° | 118.5° |
| C25 | C2 | N6 | 116.3° | 120.8° |
| N5 | C2 | N6 | 123.3° | 120.7° |
| C14 | C13 | C16 | 112.0° | 106.7° |
| C13 | C14 | N8 | 103.1° | 109.6° |
| C13 | C14 | H8 | 128.5° | 125.2° |
| C13 | C16 | C17 | 142.2° | 134.6° |
| C13 | C16 | C15 | 101.9° | 106.4° |
| C2 | N6 | H26 | 109.5° | 120.0° |
| C2 | N6 | H27 | 109.5° | 120.0° |
| C14 | N8 | C15 | 119.3° | 110.1° |
| N8 | C14 | H8 | 128.5° | 125.2° |
| C14 | N8 | H29 | 120.3° | 125.0° |
| O6 | C17 | C16 | 121.7° | 120.9° |
| O6 | C17 | N9 | 119.2° | 120.9° |
| C17 | C16 | C15 | 115.9° | 119.1° |
| C16 | C17 | N9 | 119.1° | 118.2° |
| C16 | C15 | N8 | 103.8° | 107.2° |
| C16 | C15 | N10 | 128.6° | 119.2° |
| C17 | N9 | C18 | 119.9° | 120.2° |
| C17 | N9 | H30 | 120.1° | 119.9° |
| N8 | C15 | N10 | 127.7° | 133.6° |
| C15 | N8 | H29 | 120.4° | 124.9° |
| C15 | N10 | C18 | 113.1° | 121.2° |
| N9 | C18 | N10 | 123.4° | 122.1° |
| N9 | C18 | N2 | 117.4° | 119.0° |
| C18 | N9 | H30 | 120.1° | 119.9° |
| N10 | C18 | N2 | 119.2° | 118.9° |
| C18 | N2 | H24 | 120.0° | 120.0° |
| C18 | N2 | H25 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.4° | 109.4° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| H17 | C5 | H18 | 109.5° | 109.6° |
| H20 | C8 | H21 | 109.5° | 109.4° |
| H22 | C9 | H23 | 109.5° | 109.4° |
| H24 | N2 | H25 | 120.0° | 120.0° |
| H26 | N6 | H27 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C19 | C12 | C20 | 118.4° | 118.6° |
| O2 | C19 | C12 | H9 | 122.1° | 122.7° |
| O2 | C19 | C20 | H9 | 122.9° | 122.7° |
| O2 | C19 | C20 | O3 | 3.6° | 20.4° |
| O2 | C19 | C12 | C1 | 96.6° | 119.9° |
| O2 | C19 | C12 | O1 | 143.1° | 120.7° |
| O2 | C19 | C20 | C21 | 121.2° | 97.8° |
| O2 | C19 | C12 | H7 | 28.0° | 1.2° |
| O2 | C19 | C20 | H10 | 119.5° | 144.0° |
| C12 | C19 | C20 | H9 | 119.4° | 118.7° |
| C12 | C19 | C20 | O3 | 114.1° | 139.1° |
| C19 | C12 | C1 | O1 | 119.1° | 117.9° |
| C19 | C12 | C1 | H7 | 124.6° | 121.1° |
| C19 | C12 | C1 | S1 | 46.3° | 175.7° |
| C19 | C12 | O1 | H7 | 114.8° | 119.6° |
| C12 | C19 | C20 | C21 | 3.5° | 20.9° |
| C19 | C12 | O1 | C21 | 36.6° | 26.5° |
| C19 | C12 | C1 | H1 | 167.3° | 55.7° |
| C19 | C12 | C1 | H2 | 74.7° | 64.3° |
| C12 | C19 | C20 | H10 | 122.8° | 97.3° |
| C12 | C19 | O2 | H31 | 180.0° | 180.0° |
| C19 | C20 | O3 | C21 | 116.9° | 112.7° |
| C19 | C20 | O3 | H10 | 122.8° | 123.7° |
| C20 | C19 | C12 | C1 | 145.0° | 121.5° |
| C20 | C19 | C12 | O1 | 24.6° | 2.0° |
| C19 | C20 | C21 | H10 | 119.4° | 118.2° |
| C19 | C20 | C21 | O1 | 18.6° | 37.0° |
| C19 | C20 | C21 | N1 | 138.9° | 155.5° |
| C20 | C19 | C12 | H7 | 90.5° | 117.5° |
| C19 | C20 | C21 | H11 | 95.8° | 81.6° |
| C20 | C19 | O2 | H31 | 64.1° | 65.3° |
| C19 | C20 | O3 | H32 | 180.0° | 61.4° |
| O3 | C20 | C21 | H10 | 120.7° | 123.6° |
| O3 | C20 | C21 | O1 | 138.6° | 155.2° |
| O3 | C20 | C21 | N1 | 101.2° | 86.3° |
| O3 | C20 | C19 | H9 | 126.5° | 102.3° |
| O3 | C20 | C21 | H11 | 24.2° | 36.6° |
| C12 | C1 | S1 | H1 | 121.0° | 120.0° |
| C12 | C1 | S1 | H2 | 121.0° | 120.1° |
| C1 | C12 | O1 | H7 | 116.0° | 121.0° |
| C12 | C1 | S1 | C3 | 60.2° | 180.0° |
| C1 | C12 | O1 | C21 | 165.8° | 146.0° |
| C12 | C1 | H1 | H2 | 116.9° | 120.0° |
| C1 | C12 | C19 | H9 | 25.5° | 2.8° |
| S1 | C1 | C12 | O1 | 72.8° | 66.4° |
| C1 | S1 | C3 | C4 | 178.4° | 65.0° |
| C1 | S1 | C3 | C5 | 61.6° | 175.3° |
| S1 | C1 | H1 | H2 | 116.9° | 120.0° |
| S1 | C1 | C12 | H7 | 170.9° | 54.5° |
| C1 | S1 | C3 | H14 | 60.2° | 55.1° |
| C12 | O1 | C21 | C20 | 34.3° | 40.1° |
| C12 | O1 | C21 | N1 | 163.8° | 158.6° |
| O1 | C12 | C1 | H1 | 48.2° | 173.6° |
| O1 | C12 | C1 | H2 | 166.2° | 53.6° |
| O1 | C12 | C19 | H9 | 94.8° | 116.6° |
| C12 | O1 | C21 | H11 | 80.0° | 78.5° |
| S1 | C3 | C4 | C5 | 121.5° | 119.9° |
| S1 | C3 | C4 | H14 | 115.6° | 120.2° |
| S1 | C3 | C5 | H14 | 119.1° | 120.2° |
| S1 | C3 | C4 | C8 | 71.0° | 62.2° |
| S1 | C3 | C5 | C6 | 63.3° | 62.2° |
| C3 | S1 | C1 | H1 | 60.8° | 60.0° |
| C3 | S1 | C1 | H2 | 178.8° | 59.9° |
| S1 | C3 | C4 | H15 | 49.3° | 57.7° |
| S1 | C3 | C4 | H16 | 168.7° | 177.8° |
| S1 | C3 | C5 | H17 | 175.7° | 177.8° |
| S1 | C3 | C5 | H18 | 57.7° | 57.7° |
| C20 | C21 | O1 | N1 | 129.5° | 118.5° |
| C20 | C21 | O1 | H11 | 114.3° | 118.5° |
| C20 | C21 | N1 | H11 | 125.0° | 122.9° |
| C20 | C21 | N1 | C23 | 38.8° | 85.0° |
| C20 | C21 | N1 | C22 | 141.5° | 95.0° |
| C21 | C20 | C19 | H9 | 115.9° | 139.6° |
| C21 | C20 | O3 | H32 | 63.1° | 174.1° |
| O1 | C21 | N1 | H11 | 115.8° | 123.1° |
| O1 | C21 | N1 | C23 | 80.4° | 160.9° |
| O1 | C21 | N1 | C22 | 99.3° | 19.1° |
| C21 | O1 | C12 | H7 | 78.2° | 93.1° |
| O1 | C21 | C20 | H10 | 100.7° | 81.2° |
| C21 | N1 | C23 | N4 | 0.8° | 0.1° |
| C21 | N1 | C23 | C22 | 179.7° | 180.0° |
| C21 | N1 | C23 | C25 | 179.9° | 180.0° |
| C21 | N1 | C22 | N3 | 179.7° | 179.9° |
| N1 | C21 | C20 | H10 | 19.5° | 37.3° |
| C21 | N1 | C22 | H12 | 0.3° | 0.0° |
| C4 | C3 | C5 | H14 | 122.5° | 119.9° |
| C3 | C4 | C8 | H15 | 120.3° | 119.9° |
| C3 | C4 | C8 | H16 | 120.3° | 120.0° |
| C3 | C4 | C8 | N7 | 49.6° | 59.2° |
| C4 | C3 | C5 | C6 | 55.1° | 57.7° |
| C3 | C4 | H15 | H16 | 119.1° | 120.1° |
| C4 | C3 | C5 | H17 | 65.9° | 62.3° |
| C4 | C3 | C5 | H18 | 176.1° | 177.6° |
| C3 | C4 | C8 | H20 | 70.8° | 60.8° |
| C3 | C4 | C8 | H21 | 170.1° | 179.2° |
| C5 | C3 | C4 | C8 | 50.5° | 57.6° |
| C3 | C5 | C6 | H17 | 121.0° | 120.0° |
| C3 | C5 | C6 | H18 | 121.0° | 119.9° |
| C3 | C5 | C6 | N7 | 56.6° | 59.2° |
| C3 | C5 | C6 | C7 | 174.4° | 179.2° |
| C5 | C3 | C4 | H15 | 170.8° | 177.5° |
| C5 | C3 | C4 | H16 | 69.8° | 62.3° |
| C3 | C5 | H17 | H18 | 116.9° | 120.1° |
| C3 | C5 | C6 | H19 | 66.7° | 60.8° |
| C4 | C8 | N7 | H20 | 120.4° | 120.0° |
| C4 | C8 | N7 | H21 | 120.4° | 120.0° |
| C4 | C8 | N7 | C9 | 170.7° | 174.1° |
| C4 | C8 | N7 | C6 | 50.5° | 61.7° |
| C8 | C4 | C3 | H14 | 173.4° | 177.6° |
| C8 | C4 | H15 | H16 | 119.0° | 120.1° |
| C4 | C8 | H20 | H21 | 118.7° | 120.0° |
| C8 | N7 | C9 | C6 | 122.3° | 124.3° |
| C8 | N7 | C9 | C10 | 71.1° | 71.7° |
| C8 | N7 | C6 | C5 | 51.9° | 61.7° |
| C8 | N7 | C6 | C7 | 169.5° | 178.3° |
| N7 | C8 | C4 | H15 | 169.9° | 179.1° |
| N7 | C8 | C4 | H16 | 70.7° | 60.8° |
| C8 | N7 | C6 | H19 | 70.8° | 58.3° |
| N7 | C8 | H20 | H21 | 118.7° | 120.0° |
| C8 | N7 | C9 | H22 | 168.7° | 48.4° |
| C8 | N7 | C9 | H23 | 49.1° | 168.3° |
| N4 | C23 | N1 | C25 | 179.1° | 179.9° |
| N4 | C23 | N1 | C22 | 179.5° | 179.9° |
| C23 | N4 | C24 | N5 | 0.4° | 0.2° |
| N4 | C23 | C25 | N3 | 179.8° | 180.0° |
| N4 | C23 | C25 | C2 | 1.0° | 0.1° |
| C23 | N4 | C24 | H13 | 179.6° | 179.8° |
| C24 | N4 | C23 | N1 | 179.7° | 179.8° |
| C24 | N4 | C23 | C25 | 0.7° | 0.1° |
| N4 | C24 | N5 | H13 | 180.0° | 179.9° |
| N4 | C24 | N5 | C2 | 0.3° | 0.1° |
| C23 | N1 | C22 | N3 | 0.1° | 0.0° |
| N1 | C23 | C25 | N3 | 0.6° | 0.1° |
| N1 | C23 | C25 | C2 | 179.8° | 180.0° |
| C23 | N1 | C21 | H11 | 163.8° | 37.9° |
| C23 | N1 | C22 | H12 | 179.9° | 180.0° |
| C22 | N1 | C23 | C25 | 0.3° | 0.0° |
| N1 | C22 | N3 | H12 | 180.0° | 179.9° |
| N1 | C22 | N3 | C25 | 0.4° | 0.1° |
| C22 | N1 | C21 | H11 | 16.5° | 142.1° |
| N7 | C9 | C10 | H22 | 120.2° | 120.0° |
| N7 | C9 | C10 | H23 | 120.2° | 120.1° |
| C9 | N7 | C6 | C5 | 171.3° | 174.1° |
| C9 | N7 | C6 | C7 | 71.1° | 54.1° |
| N7 | C9 | C10 | C11 | 134.8° | 179.9° |
| N7 | C9 | C10 | H3 | 105.5° | 60.0° |
| N7 | C9 | C10 | H4 | 15.0° | 60.0° |
| C9 | N7 | C6 | H19 | 48.6° | 65.9° |
| C9 | N7 | C8 | H20 | 50.3° | 65.8° |
| C9 | N7 | C8 | H21 | 68.9° | 54.1° |
| N7 | C9 | H22 | H23 | 119.4° | 120.0° |
| C10 | C9 | N7 | C6 | 166.6° | 164.1° |
| C9 | C10 | C11 | H3 | 119.7° | 120.0° |
| C9 | C10 | C11 | H4 | 119.7° | 119.9° |
| C9 | C10 | C11 | C13 | 161.1° | 180.0° |
| C9 | C10 | H3 | H4 | 120.7° | 120.0° |
| C9 | C10 | C11 | H5 | 41.2° | 60.0° |
| C9 | C10 | C11 | H6 | 79.1° | 60.0° |
| C10 | C9 | H22 | H23 | 119.4° | 120.0° |
| C5 | C6 | N7 | C7 | 117.6° | 120.0° |
| C5 | C6 | N7 | H19 | 122.7° | 120.0° |
| C5 | C6 | C7 | H19 | 119.2° | 120.0° |
| C5 | C6 | C7 | O5 | 88.2° | 91.1° |
| C5 | C6 | C7 | O4 | 91.0° | 88.9° |
| C6 | C5 | C3 | H14 | 177.6° | 177.6° |
| C6 | C5 | H17 | H18 | 117.0° | 120.1° |
| N7 | C6 | C7 | H19 | 120.6° | 120.0° |
| N7 | C6 | C7 | O5 | 151.6° | 28.9° |
| N7 | C6 | C7 | O4 | 29.2° | 151.1° |
| N7 | C6 | C5 | H17 | 64.4° | 60.8° |
| N7 | C6 | C5 | H18 | 177.5° | 179.1° |
| C6 | N7 | C8 | H20 | 69.9° | 58.3° |
| C6 | N7 | C8 | H21 | 170.9° | 178.2° |
| C6 | N7 | C9 | H22 | 46.4° | 75.9° |
| C6 | N7 | C9 | H23 | 73.2° | 44.1° |
| C6 | C7 | O5 | O4 | 179.2° | 180.0° |
| C7 | C6 | C5 | H17 | 53.4° | 59.2° |
| C7 | C6 | C5 | H18 | 64.6° | 60.9° |
| C6 | C7 | O4 | H33 | 179.3° | 180.0° |
| C23 | C25 | N3 | C22 | 0.7° | 0.1° |
| C23 | C25 | N3 | C2 | 179.1° | 179.9° |
| C23 | C25 | C2 | N5 | 0.8° | 0.3° |
| C23 | C25 | C2 | N6 | 180.0° | 180.0° |
| C10 | C11 | C13 | H5 | 119.8° | 120.0° |
| C10 | C11 | C13 | H6 | 119.8° | 120.0° |
| C10 | C11 | C13 | C14 | 18.2° | 95.0° |
| C10 | C11 | C13 | C16 | 161.9° | 84.7° |
| C11 | C10 | H3 | H4 | 120.8° | 120.0° |
| C10 | C11 | H5 | H6 | 120.6° | 120.0° |
| C11 | C10 | C9 | H22 | 14.6° | 60.0° |
| C11 | C10 | C9 | H23 | 105.0° | 60.0° |
| C24 | N5 | C2 | C25 | 0.4° | 0.2° |
| C24 | N5 | C2 | N6 | 179.7° | 179.9° |
| C22 | N3 | C25 | C2 | 179.7° | 180.0° |
| C11 | C13 | C14 | C16 | 179.9° | 179.8° |
| C11 | C13 | C14 | N8 | 179.7° | 180.0° |
| C11 | C13 | C16 | C17 | 0.0° | 0.0° |
| C11 | C13 | C16 | C15 | 180.0° | 180.0° |
| C13 | C11 | C10 | H3 | 79.2° | 60.0° |
| C13 | C11 | C10 | H4 | 41.4° | 60.1° |
| C13 | C11 | H5 | H6 | 120.5° | 120.0° |
| C11 | C13 | C14 | H8 | 0.3° | 0.0° |
| O5 | C7 | C6 | H19 | 31.0° | 148.9° |
| O5 | C7 | O4 | H33 | 0.0° | 0.0° |
| O4 | C7 | C6 | H19 | 149.8° | 31.1° |
| N3 | C25 | C2 | N5 | 179.8° | 179.8° |
| N3 | C25 | C2 | N6 | 1.0° | 0.2° |
| C25 | N3 | C22 | H12 | 179.6° | 180.0° |
| C25 | C2 | N5 | N6 | 179.2° | 179.7° |
| C25 | C2 | N6 | H26 | 179.3° | 0.1° |
| C25 | C2 | N6 | H27 | 59.2° | 180.0° |
| C2 | N5 | C24 | H13 | 179.8° | 180.0° |
| N5 | C2 | N6 | H26 | 0.0° | 179.8° |
| N5 | C2 | N6 | H27 | 120.0° | 0.3° |
| C13 | C14 | N8 | H8 | 180.0° | 180.0° |
| C14 | C13 | C16 | C17 | 179.9° | 179.8° |
| C14 | C13 | C16 | C15 | 0.1° | 0.2° |
| C13 | C14 | N8 | C15 | 0.5° | 0.1° |
| C14 | C13 | C11 | H5 | 101.6° | 145.0° |
| C14 | C13 | C11 | H6 | 138.1° | 25.0° |
| C13 | C14 | N8 | H29 | 179.5° | 180.0° |
| C16 | C13 | C14 | N8 | 0.2° | 0.2° |
| C13 | C16 | C17 | O6 | 0.1° | 0.0° |
| C13 | C16 | C17 | C15 | 180.0° | 180.0° |
| C13 | C16 | C17 | N9 | 179.7° | 180.0° |
| C13 | C16 | C15 | N8 | 0.4° | 0.1° |
| C13 | C16 | C15 | N10 | 179.6° | 180.0° |
| C16 | C13 | C11 | H5 | 78.3° | 35.3° |
| C16 | C13 | C11 | H6 | 42.1° | 155.3° |
| C16 | C13 | C14 | H8 | 179.8° | 179.7° |
| C2 | N6 | H26 | H27 | 120.0° | 179.9° |
| C14 | N8 | C15 | C16 | 0.6° | 0.0° |
| C14 | N8 | C15 | H29 | 180.0° | 179.8° |
| C14 | N8 | C15 | N10 | 179.9° | 179.8° |
| O6 | C17 | C16 | N9 | 179.5° | 180.0° |
| O6 | C17 | C16 | C15 | 179.9° | 180.0° |
| O6 | C17 | N9 | C18 | 179.9° | 180.0° |
| O6 | C17 | N9 | H30 | 0.1° | 0.0° |
| C17 | C16 | C15 | N8 | 179.7° | 179.9° |
| C17 | C16 | C15 | N10 | 0.4° | 0.0° |
| C16 | C17 | N9 | C18 | 0.5° | 0.0° |
| C16 | C17 | N9 | H30 | 179.5° | 180.0° |
| C15 | C16 | C17 | N9 | 0.4° | 0.0° |
| C16 | C15 | N8 | N10 | 179.3° | 179.8° |
| C16 | C15 | N10 | C18 | 0.5° | 0.1° |
| C16 | C15 | N8 | H29 | 179.4° | 179.8° |
| C17 | N9 | C18 | H30 | 180.0° | 180.0° |
| C17 | N9 | C18 | N10 | 0.7° | 0.0° |
| C17 | N9 | C18 | N2 | 179.7° | 180.0° |
| N8 | C15 | N10 | C18 | 179.6° | 179.8° |
| C15 | N8 | C14 | H8 | 179.5° | 179.8° |
| C15 | N10 | C18 | N9 | 0.6° | 0.0° |
| C15 | N10 | C18 | N2 | 179.7° | 180.0° |
| N10 | C15 | N8 | H29 | 0.1° | 0.0° |
| N9 | C18 | N10 | N2 | 179.0° | 179.9° |
| N9 | C18 | N2 | H24 | 179.1° | 180.0° |
| N9 | C18 | N2 | H25 | 0.9° | 0.1° |
| N10 | C18 | N2 | H24 | 0.0° | 0.0° |
| N10 | C18 | N2 | H25 | 180.0° | 180.0° |
| N10 | C18 | N9 | H30 | 179.3° | 180.0° |
| C18 | N2 | H24 | H25 | 180.0° | 180.0° |
| N2 | C18 | N9 | H30 | 0.2° | 0.1° |
| H1 | C1 | C12 | H7 | 68.1° | 65.4° |
| H2 | C1 | C12 | H7 | 49.9° | 174.6° |
| H3 | C10 | C11 | H5 | 161.0° | 60.0° |
| H3 | C10 | C11 | H6 | 40.6° | 180.0° |
| H3 | C10 | C9 | H22 | 134.4° | 180.0° |
| H3 | C10 | C9 | H23 | 14.8° | 60.1° |
| H4 | C10 | C11 | H5 | 78.5° | 179.9° |
| H4 | C10 | C11 | H6 | 161.2° | 59.9° |
| H4 | C10 | C9 | H22 | 105.1° | 60.0° |
| H4 | C10 | C9 | H23 | 135.3° | 179.9° |
| H7 | C12 | C19 | H9 | 150.1° | 123.9° |
| H8 | C14 | N8 | H29 | 0.6° | 0.0° |
| H9 | C19 | C20 | H10 | 3.4° | 21.4° |
| H9 | C19 | O2 | H31 | 58.4° | 57.3° |
| H10 | C20 | C21 | H11 | 144.8° | 160.2° |
| H10 | C20 | O3 | H32 | 57.2° | 62.3° |
| H14 | C3 | C4 | H15 | 66.3° | 62.5° |
| H14 | C3 | C4 | H16 | 53.1° | 57.6° |
| H14 | C3 | C5 | H17 | 56.6° | 57.6° |
| H14 | C3 | C5 | H18 | 61.4° | 62.5° |
| H15 | C4 | C8 | H20 | 49.5° | 59.1° |
| H15 | C4 | C8 | H21 | 69.6° | 60.9° |
| H16 | C4 | C8 | H20 | 168.9° | 179.2° |
| H16 | C4 | C8 | H21 | 49.8° | 59.2° |
| H17 | C5 | C6 | H19 | 172.3° | 179.2° |
| H18 | C5 | C6 | H19 | 54.3° | 59.1° |
