A1IIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | N9 | sing | 1.32Å | 1.42Å | Aromatic |
| C21 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| N9 | C20 | doub | 1.32Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.37Å | |
| N8 | C18 | doub | 1.31Å | 1.39Å | Aromatic |
| N8 | O7 | sing | 1.21Å | 1.50Å | Aromatic |
| C18 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| O7 | C16 | sing | 1.34Å | 1.52Å | Aromatic |
| N7 | C16 | doub | 1.31Å | 1.31Å | Aromatic |
| C16 | C14 | sing | 1.51Å | 1.55Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.58Å | |
| C11 | O6 | doub | 1.21Å | 1.26Å | |
| C11 | N5 | sing | 1.35Å | 1.37Å | |
| N5 | C9 | sing | 1.46Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.51Å | 1.62Å | |
| C8 | N3 | sing | 1.46Å | 1.51Å | |
| O5 | C10 | doub | 1.21Å | 1.27Å | |
| C10 | N6 | sing | 1.35Å | 1.40Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| O3 | C6 | doub | 1.21Å | 1.23Å | |
| N6 | C13 | sing | 1.47Å | 1.52Å | |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| N3 | C6 | sing | 1.35Å | 1.39Å | |
| C6 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | N2 | sing | 1.34Å | 1.46Å | |
| C1 | N1 | sing | 1.34Å | 1.36Å | |
| N2 | C4 | sing | 1.35Å | 1.44Å | |
| C3 | N1 | sing | 1.47Å | 1.52Å | |
| N1 | C2 | sing | 1.36Å | 1.42Å | |
| C4 | O2 | doub | 1.22Å | 1.24Å | |
| C4 | C5 | sing | 1.47Å | 1.43Å | |
| C2 | C5 | doub | 1.38Å | 1.39Å | |
| C5 | C7 | sing | 1.47Å | 1.40Å | |
| C7 | N4 | sing | 1.35Å | 1.33Å | |
| C7 | O4 | doub | 1.22Å | 1.24Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 117.7° | 119.2° |
| C22 | C23 | N9 | 118.7° | 121.1° |
| C23 | C22 | H10 | 121.2° | 120.4° |
| C22 | C23 | H11 | 120.6° | 119.4° |
| C22 | C21 | C19 | 125.1° | 118.3° |
| C22 | C21 | H9 | 117.4° | 120.8° |
| C21 | C22 | H10 | 121.2° | 120.4° |
| C23 | N9 | C20 | 123.2° | 121.8° |
| N9 | C23 | H11 | 120.7° | 119.4° |
| C21 | C19 | C20 | 117.0° | 118.9° |
| C21 | C19 | C18 | 124.0° | 120.5° |
| C19 | C21 | H9 | 117.5° | 120.9° |
| N9 | C20 | C19 | 118.2° | 120.6° |
| N9 | C20 | H8 | 120.9° | 119.8° |
| C20 | C19 | C18 | 119.0° | 120.6° |
| C19 | C20 | H8 | 120.9° | 119.6° |
| C19 | C18 | N8 | 130.4° | 126.4° |
| C19 | C18 | N7 | 117.1° | 126.4° |
| C18 | N8 | O7 | 104.1° | 110.1° |
| N8 | C18 | N7 | 112.3° | 107.2° |
| N8 | O7 | C16 | 104.3° | 110.0° |
| C18 | N7 | C16 | 112.1° | 105.6° |
| O7 | C16 | N7 | 107.0° | 107.2° |
| O7 | C16 | C14 | 129.4° | 126.4° |
| N7 | C16 | C14 | 123.5° | 126.4° |
| C16 | C14 | C12 | 105.6° | 109.4° |
| C16 | C14 | H6 | 110.4° | 109.5° |
| C16 | C14 | H7 | 110.4° | 109.5° |
| C14 | C12 | C11 | 112.7° | 109.4° |
| C14 | C12 | H4 | 108.7° | 109.5° |
| C14 | C12 | H5 | 108.7° | 109.5° |
| C12 | C14 | H6 | 110.4° | 109.5° |
| C12 | C14 | H7 | 110.4° | 109.5° |
| C12 | C11 | O6 | 119.7° | 120.0° |
| C12 | C11 | N5 | 118.9° | 120.0° |
| C11 | C12 | H4 | 108.6° | 109.4° |
| C11 | C12 | H5 | 108.6° | 109.5° |
| O6 | C11 | N5 | 121.4° | 120.0° |
| C11 | N5 | C9 | 124.4° | 120.0° |
| C11 | N5 | H12 | 117.8° | 120.0° |
| N5 | C9 | C8 | 114.4° | 109.5° |
| N5 | C9 | C10 | 106.5° | 109.5° |
| C9 | N5 | H12 | 117.8° | 120.0° |
| N5 | C9 | H13 | 106.2° | 109.5° |
| C8 | C9 | C10 | 117.7° | 109.5° |
| C9 | C8 | N3 | 112.7° | 109.5° |
| C8 | C9 | H13 | 106.0° | 109.4° |
| C9 | C8 | H22 | 108.6° | 109.5° |
| C9 | C8 | H23 | 108.7° | 109.5° |
| C9 | C10 | O5 | 119.9° | 120.0° |
| C9 | C10 | N6 | 118.8° | 120.0° |
| C10 | C9 | H13 | 105.2° | 109.5° |
| C8 | N3 | C6 | 124.8° | 120.0° |
| N3 | C8 | H22 | 108.7° | 109.5° |
| N3 | C8 | H23 | 108.7° | 109.4° |
| C8 | N3 | H24 | 117.6° | 120.0° |
| O5 | C10 | N6 | 121.2° | 120.0° |
| C10 | N6 | C13 | 120.3° | 120.0° |
| C10 | N6 | H14 | 119.8° | 120.0° |
| C17 | C15 | C13 | 115.6° | 109.5° |
| C17 | C15 | H17 | 107.9° | 109.5° |
| C17 | C15 | H18 | 107.9° | 109.5° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C15 | C17 | H20 | 109.5° | 109.5° |
| C15 | C17 | H21 | 109.5° | 109.5° |
| C15 | C13 | N6 | 109.2° | 109.5° |
| C15 | C13 | H15 | 109.6° | 109.5° |
| C15 | C13 | H16 | 109.5° | 109.4° |
| C13 | C15 | H17 | 107.9° | 109.5° |
| C13 | C15 | H18 | 107.9° | 109.4° |
| O3 | C6 | N3 | 125.9° | 120.0° |
| O3 | C6 | C3 | 117.0° | 120.0° |
| C13 | N6 | H14 | 119.8° | 120.0° |
| N6 | C13 | H15 | 109.5° | 109.5° |
| N6 | C13 | H16 | 109.6° | 109.4° |
| O1 | C1 | N2 | 116.9° | 118.9° |
| O1 | C1 | N1 | 122.5° | 119.0° |
| N3 | C6 | C3 | 117.1° | 120.0° |
| C6 | N3 | H24 | 117.6° | 120.0° |
| C6 | C3 | N1 | 110.7° | 109.5° |
| C6 | C3 | H2 | 109.2° | 109.5° |
| C6 | C3 | H3 | 109.2° | 109.5° |
| N2 | C1 | N1 | 120.6° | 122.1° |
| C1 | N2 | C4 | 119.9° | 120.4° |
| C1 | N2 | H25 | 120.1° | 119.8° |
| C1 | N1 | C3 | 132.1° | 119.2° |
| C1 | N1 | C2 | 118.6° | 121.5° |
| N2 | C4 | O2 | 116.8° | 120.7° |
| N2 | C4 | C5 | 118.5° | 118.5° |
| C4 | N2 | H25 | 120.1° | 119.8° |
| C3 | N1 | C2 | 109.1° | 119.3° |
| N1 | C3 | H2 | 109.2° | 109.4° |
| N1 | C3 | H3 | 109.2° | 109.5° |
| N1 | C2 | C5 | 123.7° | 119.3° |
| N1 | C2 | H1 | 118.1° | 120.3° |
| O2 | C4 | C5 | 124.7° | 120.8° |
| C4 | C5 | C2 | 118.8° | 118.1° |
| C4 | C5 | C7 | 129.2° | 120.9° |
| C2 | C5 | C7 | 112.0° | 121.0° |
| C5 | C2 | H1 | 118.2° | 120.4° |
| C5 | C7 | N4 | 110.4° | 120.0° |
| C5 | C7 | O4 | 125.1° | 120.0° |
| N4 | C7 | O4 | 124.0° | 120.0° |
| C7 | N4 | H26 | 120.0° | 120.0° |
| C7 | N4 | H27 | 120.0° | 120.0° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H21 | 109.4° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H22 | C8 | H23 | 109.4° | 109.5° |
| H26 | N4 | H27 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H10 | 180.0° | 180.0° |
| C22 | C23 | N9 | H11 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 2.6° | 0.0° |
| C22 | C23 | N9 | C20 | 0.6° | 0.1° |
| C23 | C22 | C21 | H9 | 177.4° | 180.0° |
| C21 | C22 | C23 | N9 | 0.9° | 0.0° |
| C22 | C21 | C19 | H9 | 180.0° | 180.0° |
| C22 | C21 | C19 | C20 | 3.8° | 0.0° |
| C22 | C21 | C19 | C18 | 177.7° | 180.0° |
| C21 | C22 | C23 | H11 | 179.1° | 180.0° |
| C23 | N9 | C20 | C19 | 1.7° | 0.1° |
| C23 | N9 | C20 | H8 | 178.3° | 180.0° |
| N9 | C23 | C22 | H10 | 179.0° | 180.0° |
| C21 | C19 | C20 | N9 | 3.1° | 0.1° |
| C21 | C19 | C20 | C18 | 178.6° | 179.9° |
| C21 | C19 | C18 | N8 | 9.0° | 0.1° |
| C21 | C19 | C18 | N7 | 165.4° | 180.0° |
| C21 | C19 | C20 | H8 | 176.9° | 180.0° |
| C19 | C21 | C22 | H10 | 177.3° | 180.0° |
| N9 | C20 | C19 | H8 | 180.0° | 180.0° |
| N9 | C20 | C19 | C18 | 178.3° | 180.0° |
| C20 | N9 | C23 | H11 | 179.4° | 179.9° |
| C20 | C19 | C18 | N8 | 169.5° | 180.0° |
| C20 | C19 | C18 | N7 | 16.1° | 0.1° |
| C20 | C19 | C21 | H9 | 176.2° | 180.0° |
| C19 | C18 | N8 | N7 | 174.6° | 179.9° |
| C19 | C18 | N8 | O7 | 179.3° | 179.9° |
| C19 | C18 | N7 | C16 | 179.2° | 179.9° |
| C18 | C19 | C20 | H8 | 1.7° | 0.0° |
| C18 | C19 | C21 | H9 | 2.3° | 0.1° |
| C18 | N8 | O7 | C16 | 2.5° | 0.0° |
| N8 | C18 | N7 | C16 | 5.4° | 0.0° |
| O7 | N8 | C18 | N7 | 4.7° | 0.0° |
| N8 | O7 | C16 | N7 | 0.5° | 0.0° |
| N8 | O7 | C16 | C14 | 179.8° | 179.9° |
| C18 | N7 | C16 | O7 | 3.4° | 0.0° |
| C18 | N7 | C16 | C14 | 176.8° | 179.9° |
| O7 | C16 | N7 | C14 | 179.8° | 179.9° |
| O7 | C16 | C14 | C12 | 36.7° | 90.1° |
| O7 | C16 | C14 | H6 | 156.1° | 150.0° |
| O7 | C16 | C14 | H7 | 82.7° | 29.9° |
| N7 | C16 | C14 | C12 | 143.6° | 90.0° |
| N7 | C16 | C14 | H6 | 24.2° | 29.9° |
| N7 | C16 | C14 | H7 | 97.0° | 150.0° |
| C16 | C14 | C12 | H6 | 119.4° | 120.0° |
| C16 | C14 | C12 | H7 | 119.4° | 120.0° |
| C16 | C14 | C12 | C11 | 175.0° | 180.0° |
| C16 | C14 | C12 | H4 | 64.5° | 60.1° |
| C16 | C14 | C12 | H5 | 54.5° | 60.0° |
| C16 | C14 | H6 | H7 | 121.8° | 120.1° |
| C14 | C12 | C11 | H4 | 120.5° | 119.9° |
| C14 | C12 | C11 | H5 | 120.5° | 120.0° |
| C14 | C12 | C11 | O6 | 100.4° | 0.0° |
| C14 | C12 | C11 | N5 | 80.5° | 180.0° |
| C14 | C12 | H4 | H5 | 118.5° | 120.1° |
| C12 | C14 | H6 | H7 | 121.8° | 120.0° |
| C12 | C11 | O6 | N5 | 179.0° | 180.0° |
| C12 | C11 | N5 | C9 | 178.6° | 180.0° |
| C11 | C12 | H4 | H5 | 118.5° | 120.0° |
| C11 | C12 | C14 | H6 | 55.6° | 60.0° |
| C11 | C12 | C14 | H7 | 65.6° | 60.0° |
| C12 | C11 | N5 | H12 | 1.4° | 0.0° |
| O6 | C11 | N5 | C9 | 0.4° | 0.0° |
| O6 | C11 | C12 | H4 | 139.1° | 120.0° |
| O6 | C11 | C12 | H5 | 20.1° | 120.0° |
| O6 | C11 | N5 | H12 | 179.6° | 180.0° |
| C11 | N5 | C9 | H12 | 180.0° | 180.0° |
| C11 | N5 | C9 | C8 | 3.6° | 155.0° |
| C11 | N5 | C9 | C10 | 128.2° | 85.0° |
| N5 | C11 | C12 | H4 | 40.0° | 60.1° |
| N5 | C11 | C12 | H5 | 159.0° | 60.0° |
| C11 | N5 | C9 | H13 | 120.1° | 35.1° |
| N5 | C9 | C8 | C10 | 126.1° | 120.0° |
| N5 | C9 | C8 | H13 | 116.6° | 120.0° |
| N5 | C9 | C10 | H13 | 112.4° | 120.1° |
| N5 | C9 | C8 | N3 | 167.9° | 55.0° |
| N5 | C9 | C10 | O5 | 56.9° | 0.0° |
| N5 | C9 | C10 | N6 | 119.7° | 180.0° |
| N5 | C9 | C8 | H22 | 47.3° | 65.0° |
| N5 | C9 | C8 | H23 | 71.6° | 175.0° |
| C8 | C9 | C10 | H13 | 117.7° | 119.9° |
| C9 | C8 | N3 | H22 | 120.5° | 120.0° |
| C9 | C8 | N3 | H23 | 120.5° | 120.0° |
| C8 | C9 | C10 | O5 | 173.2° | 120.0° |
| C8 | C9 | C10 | N6 | 10.2° | 60.0° |
| C9 | C8 | N3 | C6 | 166.8° | 180.0° |
| C8 | C9 | N5 | H12 | 176.4° | 25.0° |
| C9 | C8 | H22 | H23 | 118.5° | 120.0° |
| C9 | C8 | N3 | H24 | 13.2° | 0.0° |
| C10 | C9 | C8 | N3 | 66.0° | 175.0° |
| C9 | C10 | O5 | N6 | 176.5° | 180.0° |
| C9 | C10 | N6 | C13 | 178.2° | 180.0° |
| C10 | C9 | N5 | H12 | 51.8° | 95.0° |
| C9 | C10 | N6 | H14 | 1.7° | 0.0° |
| C10 | C9 | C8 | H22 | 173.5° | 55.0° |
| C10 | C9 | C8 | H23 | 54.5° | 65.0° |
| C8 | N3 | C6 | O3 | 0.3° | 0.0° |
| C8 | N3 | C6 | H24 | 180.0° | 180.0° |
| C8 | N3 | C6 | C3 | 178.6° | 180.0° |
| N3 | C8 | C9 | H13 | 51.3° | 65.0° |
| N3 | C8 | H22 | H23 | 118.6° | 120.0° |
| O5 | C10 | N6 | C13 | 5.2° | 0.0° |
| O5 | C10 | C9 | H13 | 55.5° | 120.1° |
| O5 | C10 | N6 | H14 | 174.8° | 180.0° |
| C10 | N6 | C13 | C15 | 75.5° | 180.0° |
| C10 | N6 | C13 | H14 | 180.0° | 179.9° |
| N6 | C10 | C9 | H13 | 127.9° | 59.9° |
| C10 | N6 | C13 | H15 | 164.6° | 60.0° |
| C10 | N6 | C13 | H16 | 44.5° | 60.1° |
| C17 | C15 | C13 | H17 | 120.9° | 120.0° |
| C17 | C15 | C13 | H18 | 120.9° | 120.0° |
| C17 | C15 | C13 | N6 | 108.4° | 180.0° |
| C17 | C15 | C13 | H15 | 131.6° | 60.0° |
| C17 | C15 | C13 | H16 | 11.5° | 60.1° |
| C17 | C15 | H17 | H18 | 117.2° | 120.0° |
| C15 | C17 | H19 | H20 | 120.0° | 120.1° |
| C15 | C17 | H19 | H21 | 120.0° | 120.0° |
| C15 | C17 | H20 | H21 | 120.0° | 120.0° |
| C15 | C13 | N6 | H15 | 120.0° | 120.0° |
| C15 | C13 | N6 | H16 | 119.9° | 119.9° |
| C15 | C13 | N6 | H14 | 104.6° | 0.1° |
| C15 | C13 | H15 | H16 | 120.1° | 120.0° |
| C13 | C15 | H17 | H18 | 117.2° | 120.0° |
| C13 | C15 | C17 | H19 | 180.0° | 60.0° |
| C13 | C15 | C17 | H20 | 60.0° | 60.1° |
| C13 | C15 | C17 | H21 | 60.0° | 180.0° |
| O3 | C6 | N3 | C3 | 178.3° | 180.0° |
| O3 | C6 | C3 | N1 | 107.1° | 0.0° |
| O3 | C6 | C3 | H2 | 13.0° | 120.0° |
| O3 | C6 | C3 | H3 | 132.7° | 120.0° |
| O3 | C6 | N3 | H24 | 179.7° | 180.0° |
| N6 | C13 | H15 | H16 | 120.2° | 120.0° |
| N6 | C13 | C15 | H17 | 12.4° | 60.0° |
| N6 | C13 | C15 | H18 | 130.7° | 60.1° |
| O1 | C1 | N2 | N1 | 178.6° | 179.8° |
| O1 | C1 | N2 | C4 | 178.8° | 180.0° |
| O1 | C1 | N1 | C3 | 4.7° | 0.2° |
| O1 | C1 | N1 | C2 | 177.9° | 179.7° |
| O1 | C1 | N2 | H25 | 1.3° | 0.3° |
| N3 | C6 | C3 | N1 | 74.4° | 180.0° |
| N3 | C6 | C3 | H2 | 165.4° | 60.0° |
| N3 | C6 | C3 | H3 | 45.8° | 60.0° |
| C6 | N3 | C8 | H22 | 46.3° | 60.0° |
| C6 | N3 | C8 | H23 | 72.7° | 60.0° |
| C6 | C3 | N1 | C1 | 15.7° | 90.0° |
| C6 | C3 | N1 | H2 | 120.2° | 119.9° |
| C6 | C3 | N1 | H3 | 120.2° | 120.0° |
| C6 | C3 | N1 | C2 | 158.0° | 90.0° |
| C6 | C3 | H2 | H3 | 119.4° | 120.0° |
| C3 | C6 | N3 | H24 | 1.4° | 0.0° |
| C1 | N2 | C4 | H25 | 180.0° | 179.7° |
| N2 | C1 | N1 | C3 | 173.8° | 180.0° |
| N2 | C1 | N1 | C2 | 0.6° | 0.0° |
| C1 | N2 | C4 | O2 | 179.6° | 180.0° |
| C1 | N2 | C4 | C5 | 0.2° | 0.5° |
| N1 | C1 | N2 | C4 | 0.2° | 0.3° |
| C1 | N1 | C3 | C2 | 173.7° | 180.0° |
| C1 | N1 | C2 | C5 | 2.0° | 0.0° |
| C1 | N1 | C2 | H1 | 178.0° | 179.7° |
| C1 | N1 | C3 | H2 | 104.5° | 150.0° |
| C1 | N1 | C3 | H3 | 135.9° | 30.0° |
| N1 | C1 | N2 | H25 | 179.9° | 180.0° |
| N2 | C4 | O2 | C5 | 179.3° | 179.5° |
| N2 | C4 | C5 | C2 | 1.5° | 0.5° |
| N2 | C4 | C5 | C7 | 177.8° | 179.5° |
| C3 | N1 | C2 | C5 | 176.6° | 180.0° |
| C3 | N1 | C2 | H1 | 3.4° | 0.3° |
| N1 | C3 | H2 | H3 | 119.5° | 120.0° |
| N1 | C2 | C5 | C4 | 2.4° | 0.3° |
| N1 | C2 | C5 | H1 | 180.0° | 179.7° |
| N1 | C2 | C5 | C7 | 179.3° | 179.7° |
| C2 | N1 | C3 | H2 | 81.8° | 30.0° |
| C2 | N1 | C3 | H3 | 37.8° | 150.0° |
| O2 | C4 | C5 | C2 | 179.3° | 180.0° |
| O2 | C4 | C5 | C7 | 3.0° | 0.0° |
| O2 | C4 | N2 | H25 | 0.4° | 0.3° |
| C4 | C5 | C2 | C7 | 176.9° | 180.0° |
| C4 | C5 | C7 | N4 | 110.7° | 5.7° |
| C4 | C5 | C7 | O4 | 76.7° | 174.3° |
| C4 | C5 | C2 | H1 | 177.6° | 180.0° |
| C5 | C4 | N2 | H25 | 179.7° | 179.8° |
| C2 | C5 | C7 | N4 | 65.8° | 174.3° |
| C2 | C5 | C7 | O4 | 106.8° | 5.7° |
| C5 | C7 | N4 | O4 | 172.7° | 180.0° |
| C7 | C5 | C2 | H1 | 0.7° | 0.0° |
| C5 | C7 | N4 | H26 | 172.7° | 5.0° |
| C5 | C7 | N4 | H27 | 7.3° | 174.9° |
| C7 | N4 | H26 | H27 | 180.0° | 180.0° |
| O4 | C7 | N4 | H26 | 0.0° | 174.9° |
| O4 | C7 | N4 | H27 | 180.0° | 5.1° |
| H4 | C12 | C14 | H6 | 176.1° | 179.9° |
| H4 | C12 | C14 | H7 | 54.8° | 59.9° |
| H5 | C12 | C14 | H6 | 64.8° | 60.0° |
| H5 | C12 | C14 | H7 | 173.9° | 180.0° |
| H9 | C21 | C22 | H10 | 2.7° | 0.0° |
| H10 | C22 | C23 | H11 | 1.0° | 0.0° |
| H12 | N5 | C9 | H13 | 59.9° | 145.0° |
| H13 | C9 | C8 | H22 | 69.2° | 175.0° |
| H13 | C9 | C8 | H23 | 171.8° | 55.0° |
| H14 | N6 | C13 | H15 | 15.4° | 120.0° |
| H14 | N6 | C13 | H16 | 135.5° | 120.0° |
| H15 | C13 | C15 | H17 | 107.5° | NaN° |
| H15 | C13 | C15 | H18 | 10.7° | 60.0° |
| H16 | C13 | C15 | H17 | 132.4° | 59.9° |
| H16 | C13 | C15 | H18 | 109.4° | 180.0° |
| H17 | C15 | C17 | H19 | 59.1° | 180.0° |
| H17 | C15 | C17 | H20 | 60.9° | 60.0° |
| H17 | C15 | C17 | H21 | 179.1° | 60.0° |
| H18 | C15 | C17 | H19 | 59.1° | 59.9° |
| H18 | C15 | C17 | H20 | 179.1° | 180.0° |
| H18 | C15 | C17 | H21 | 60.9° | 60.1° |
| H19 | C17 | H20 | H21 | 120.0° | 120.0° |
| H22 | C8 | N3 | H24 | 133.7° | 120.1° |
| H23 | C8 | N3 | H24 | 107.3° | 120.0° |
