R7E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| O5 | C1 | sing | 1.43Å | 1.38Å | |
| C1 | N1 | sing | 1.47Å | 1.41Å | |
| O7 | C7 | doub | 1.22Å | 1.25Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | doub | 1.38Å | 1.33Å | Aromatic |
| C8 | O8 | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| O8 | C11 | sing | 1.34Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.46Å | |
| C12 | C17 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | N2 | sing | 1.47Å | 1.56Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| N2 | H21 | sing | 1.01Å | 1.00Å | |
| N2 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 112.0° | 109.5° |
| O3 | C3 | C2 | 111.4° | 109.5° |
| O3 | C3 | H12 | 107.7° | 109.6° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| C3 | C4 | C5 | 110.8° | 109.2° |
| C3 | C4 | O4 | 106.2° | 109.5° |
| C4 | C3 | C2 | 112.1° | 109.0° |
| C3 | C4 | H2 | 109.3° | 109.5° |
| C4 | C3 | H12 | 106.7° | 109.5° |
| C5 | C4 | O4 | 111.1° | 109.5° |
| C4 | C5 | C6 | 110.9° | 109.5° |
| C4 | C5 | O5 | 107.4° | 109.3° |
| C5 | C4 | H2 | 109.1° | 109.5° |
| C4 | C5 | H3 | 109.4° | 109.5° |
| O4 | C4 | H2 | 110.3° | 109.6° |
| C4 | O4 | H16 | 109.5° | 114.0° |
| C3 | C2 | O2 | 111.3° | 109.5° |
| C3 | C2 | C1 | 110.4° | 109.2° |
| C2 | C3 | H12 | 106.6° | 109.6° |
| C3 | C2 | H14 | 107.2° | 109.5° |
| C6 | C5 | O5 | 109.3° | 109.5° |
| C6 | C5 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | O5 | C1 | 114.7° | 114.1° |
| O5 | C5 | H3 | 110.4° | 109.5° |
| O2 | C2 | C1 | 112.4° | 109.6° |
| O2 | C2 | H14 | 108.3° | 109.6° |
| C2 | O2 | H15 | 109.5° | 114.0° |
| C2 | C1 | O5 | 110.0° | 109.4° |
| C2 | C1 | N1 | 110.7° | 109.5° |
| C2 | C1 | H11 | 107.4° | 109.5° |
| C1 | C2 | H14 | 107.0° | 109.5° |
| O5 | C1 | N1 | 110.2° | 109.5° |
| O5 | C1 | H11 | 109.4° | 109.5° |
| C1 | N1 | C7 | 120.1° | 120.0° |
| C1 | N1 | H1 | 119.9° | 120.0° |
| N1 | C1 | H11 | 109.1° | 109.4° |
| O7 | C7 | N1 | 122.0° | 120.0° |
| O7 | C7 | C8 | 120.1° | 120.0° |
| N1 | C7 | C8 | 117.9° | 120.0° |
| C7 | N1 | H1 | 119.9° | 120.0° |
| C7 | C8 | C9 | 131.3° | 125.9° |
| C7 | C8 | O8 | 118.9° | 126.0° |
| C9 | C8 | O8 | 109.8° | 108.1° |
| C8 | C9 | C10 | 106.9° | 106.8° |
| C8 | C9 | H17 | 126.6° | 126.7° |
| C8 | O8 | C11 | 106.5° | 109.4° |
| C9 | C10 | C11 | 106.9° | 107.1° |
| C9 | C10 | H7 | 126.5° | 126.5° |
| C10 | C9 | H17 | 126.6° | 126.6° |
| O8 | C11 | C10 | 109.7° | 108.6° |
| O8 | C11 | C12 | 117.2° | 125.7° |
| C10 | C11 | C12 | 133.0° | 125.7° |
| C11 | C10 | H7 | 126.5° | 126.4° |
| C11 | C12 | C17 | 123.1° | 120.2° |
| C11 | C12 | C13 | 119.1° | 120.2° |
| C17 | C12 | C13 | 117.7° | 119.7° |
| C12 | C17 | C16 | 120.6° | 119.9° |
| C12 | C17 | H10 | 119.7° | 120.1° |
| C12 | C13 | C14 | 123.5° | 119.8° |
| C12 | C13 | H8 | 118.2° | 120.1° |
| C17 | C16 | C15 | 121.0° | 120.1° |
| C16 | C17 | H10 | 119.7° | 120.1° |
| C17 | C16 | H18 | 119.5° | 119.9° |
| C13 | C14 | C15 | 119.0° | 120.2° |
| C13 | C14 | C18 | 116.5° | 119.9° |
| C14 | C13 | H8 | 118.3° | 120.1° |
| C16 | C15 | C14 | 118.1° | 120.3° |
| C16 | C15 | H9 | 120.9° | 119.8° |
| C15 | C16 | H18 | 119.5° | 120.0° |
| C15 | C14 | C18 | 124.3° | 119.9° |
| C14 | C15 | H9 | 120.9° | 119.8° |
| C14 | C18 | N2 | 115.7° | 109.4° |
| C14 | C18 | H19 | 107.9° | 109.4° |
| C14 | C18 | H20 | 107.9° | 109.5° |
| N2 | C18 | H19 | 107.9° | 109.5° |
| N2 | C18 | H20 | 107.9° | 109.5° |
| C18 | N2 | H21 | 109.5° | 111.0° |
| C18 | N2 | H22 | 109.5° | 111.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | N2 | H22 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 126.1° | 119.9° |
| O3 | C3 | C4 | H12 | 117.6° | 120.3° |
| O3 | C3 | C4 | C5 | 177.8° | 176.9° |
| O3 | C3 | C4 | O4 | 57.1° | 56.9° |
| O3 | C3 | C2 | H12 | 117.2° | 120.3° |
| O3 | C3 | C2 | O2 | 59.8° | 63.2° |
| O3 | C3 | C2 | C1 | 174.7° | 176.8° |
| O3 | C3 | C4 | H2 | 62.0° | 63.3° |
| O3 | C3 | C2 | H14 | 58.5° | 56.9° |
| C3 | C4 | C5 | O4 | 117.8° | 119.9° |
| C3 | C4 | C5 | H2 | 120.4° | 119.9° |
| C3 | C4 | O4 | H2 | 118.3° | 120.2° |
| C4 | C3 | C2 | H12 | 116.4° | 119.9° |
| C3 | C4 | C5 | C6 | 175.7° | 177.6° |
| C3 | C4 | C5 | O5 | 56.4° | 57.6° |
| C4 | C3 | C2 | O2 | 173.8° | 176.9° |
| C4 | C3 | C2 | C1 | 48.3° | 57.0° |
| C3 | C4 | C5 | H3 | 63.5° | 62.4° |
| C4 | C3 | O3 | H13 | 180.0° | 179.9° |
| C4 | C3 | C2 | H14 | 68.0° | 62.9° |
| C3 | C4 | O4 | H16 | 180.0° | 180.0° |
| C5 | C4 | O4 | H2 | 121.1° | 120.1° |
| C5 | C4 | C3 | C2 | 51.7° | 57.0° |
| C4 | C5 | C6 | O5 | 118.2° | 119.9° |
| C4 | C5 | C6 | H3 | 120.8° | 120.1° |
| C4 | C5 | O5 | H3 | 119.2° | 120.0° |
| C4 | C5 | O5 | C1 | 64.7° | 61.2° |
| C4 | C5 | C6 | H4 | 180.0° | 60.1° |
| C4 | C5 | C6 | H5 | 60.0° | 180.0° |
| C4 | C5 | C6 | H6 | 60.0° | 59.9° |
| C5 | C4 | C3 | H12 | 64.6° | 62.9° |
| C5 | C4 | O4 | H16 | 59.5° | 60.3° |
| O4 | C4 | C3 | C2 | 69.0° | 62.9° |
| O4 | C4 | C5 | C6 | 57.9° | 57.6° |
| O4 | C4 | C5 | O5 | 61.4° | 62.3° |
| O4 | C4 | C5 | H3 | 178.7° | 177.7° |
| O4 | C4 | C3 | H12 | 174.7° | 177.2° |
| C3 | C2 | O2 | C1 | 124.4° | 119.7° |
| C3 | C2 | O2 | H14 | 117.6° | 120.1° |
| C3 | C2 | C1 | H14 | 116.4° | 119.9° |
| C3 | C2 | C1 | O5 | 52.2° | 57.6° |
| C3 | C2 | C1 | N1 | 174.1° | 177.6° |
| C2 | C3 | C4 | H2 | 171.9° | 176.9° |
| C3 | C2 | C1 | H11 | 66.8° | 62.4° |
| C2 | C3 | O3 | H13 | 53.5° | 60.5° |
| C3 | C2 | O2 | H15 | 180.0° | 180.0° |
| C6 | C5 | O5 | H3 | 120.5° | 120.1° |
| C6 | C5 | O5 | C1 | 175.0° | 178.9° |
| C6 | C5 | C4 | H2 | 63.9° | 62.5° |
| C5 | C6 | H4 | H5 | 120.0° | 119.9° |
| C5 | C6 | H4 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C5 | O5 | C1 | C2 | 62.8° | 61.2° |
| C5 | O5 | C1 | N1 | 175.0° | 178.8° |
| O5 | C5 | C4 | H2 | 176.7° | 177.5° |
| O5 | C5 | C6 | H4 | 61.8° | 179.9° |
| O5 | C5 | C6 | H5 | 58.2° | 60.1° |
| O5 | C5 | C6 | H6 | 178.2° | 59.9° |
| C5 | O5 | C1 | H11 | 55.0° | 58.8° |
| O2 | C2 | C1 | H14 | 118.7° | 120.2° |
| O2 | C2 | C1 | O5 | 177.1° | 177.5° |
| O2 | C2 | C1 | N1 | 61.0° | 62.5° |
| O2 | C2 | C1 | H11 | 58.1° | 57.5° |
| O2 | C2 | C3 | H12 | 57.4° | 57.0° |
| C2 | C1 | O5 | N1 | 122.2° | 120.0° |
| C2 | C1 | O5 | H11 | 117.8° | 120.0° |
| C2 | C1 | N1 | H11 | 118.0° | 120.0° |
| C2 | C1 | N1 | C7 | 165.3° | 140.0° |
| C2 | C1 | N1 | H1 | 14.7° | 40.2° |
| C1 | C2 | C3 | H12 | 68.1° | 62.9° |
| C1 | C2 | O2 | H15 | 55.6° | 60.3° |
| O5 | C1 | N1 | H11 | 120.2° | 120.0° |
| O5 | C1 | N1 | C7 | 72.9° | 100.0° |
| O5 | C1 | N1 | H1 | 107.1° | 79.7° |
| C1 | O5 | C5 | H3 | 54.5° | 58.8° |
| O5 | C1 | C2 | H14 | 64.2° | 62.3° |
| C1 | N1 | C7 | O7 | 8.0° | 0.2° |
| C1 | N1 | C7 | H1 | 180.0° | 179.8° |
| C1 | N1 | C7 | C8 | 171.8° | 179.7° |
| N1 | C1 | C2 | H14 | 57.8° | 57.7° |
| O7 | C7 | N1 | C8 | 179.8° | 180.0° |
| O7 | C7 | C8 | C9 | 2.7° | 0.0° |
| O7 | C7 | C8 | O8 | 178.9° | 179.7° |
| O7 | C7 | N1 | H1 | 172.0° | 180.0° |
| N1 | C7 | C8 | C9 | 177.5° | 180.0° |
| N1 | C7 | C8 | O8 | 1.0° | 0.3° |
| C7 | N1 | C1 | H11 | 47.3° | 20.0° |
| C7 | C8 | C9 | O8 | 178.6° | 179.7° |
| C7 | C8 | C9 | C10 | 179.1° | 179.9° |
| C7 | C8 | O8 | C11 | 178.6° | 179.9° |
| C8 | C7 | N1 | H1 | 8.1° | 0.0° |
| C7 | C8 | C9 | H17 | 1.0° | 0.0° |
| C8 | C9 | C10 | H17 | 180.0° | 179.9° |
| C9 | C8 | O8 | C11 | 2.7° | 0.2° |
| C8 | C9 | C10 | C11 | 1.9° | 0.4° |
| C8 | C9 | C10 | H7 | 178.1° | 179.8° |
| O8 | C8 | C9 | C10 | 0.5° | 0.4° |
| C8 | O8 | C11 | C10 | 3.9° | 0.0° |
| C8 | O8 | C11 | C12 | 175.8° | 179.8° |
| O8 | C8 | C9 | H17 | 179.5° | 179.7° |
| C9 | C10 | C11 | O8 | 3.6° | 0.3° |
| C9 | C10 | C11 | H7 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 176.0° | 180.0° |
| O8 | C11 | C10 | C12 | 179.6° | 179.7° |
| O8 | C11 | C12 | C17 | 27.6° | 179.7° |
| O8 | C11 | C12 | C13 | 148.0° | 0.3° |
| O8 | C11 | C10 | H7 | 176.4° | 180.0° |
| C10 | C11 | C12 | C17 | 152.0° | 0.0° |
| C10 | C11 | C12 | C13 | 32.4° | 180.0° |
| C11 | C10 | C9 | H17 | 178.1° | 179.7° |
| C11 | C12 | C17 | C13 | 175.6° | 180.0° |
| C11 | C12 | C17 | C16 | 176.9° | 179.4° |
| C11 | C12 | C13 | C14 | 178.2° | 180.0° |
| C12 | C11 | C10 | H7 | 4.0° | 0.2° |
| C11 | C12 | C13 | H8 | 1.8° | 0.3° |
| C11 | C12 | C17 | H10 | 3.1° | 0.2° |
| C12 | C17 | C16 | H10 | 180.0° | 179.2° |
| C17 | C12 | C13 | C14 | 2.4° | 0.0° |
| C12 | C17 | C16 | C15 | 1.3° | 0.8° |
| C17 | C12 | C13 | H8 | 177.6° | 179.7° |
| C12 | C17 | C16 | H18 | 178.7° | 179.2° |
| C13 | C12 | C17 | C16 | 1.2° | 0.5° |
| C12 | C13 | C14 | H8 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.9° | 0.2° |
| C12 | C13 | C14 | C18 | 175.1° | 179.7° |
| C13 | C12 | C17 | H10 | 178.8° | 179.7° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 2.8° | 0.6° |
| C17 | C16 | C15 | H9 | 177.2° | 179.5° |
| C13 | C14 | C15 | C16 | 1.7° | 0.0° |
| C13 | C14 | C15 | C18 | 175.7° | 180.0° |
| C13 | C14 | C18 | N2 | 75.4° | 90.0° |
| C13 | C14 | C15 | H9 | 178.3° | 180.0° |
| C13 | C14 | C18 | H19 | 45.5° | 150.0° |
| C13 | C14 | C18 | H20 | 163.7° | 30.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | C18 | 177.3° | 180.0° |
| C15 | C16 | C17 | H10 | 178.7° | 180.0° |
| C15 | C14 | C18 | N2 | 100.4° | 90.0° |
| C15 | C14 | C13 | H8 | 179.1° | 180.0° |
| C14 | C15 | C16 | H18 | 177.2° | 179.4° |
| C15 | C14 | C18 | H19 | 138.8° | 30.0° |
| C15 | C14 | C18 | H20 | 20.6° | 150.0° |
| C14 | C18 | N2 | H19 | 120.9° | 120.0° |
| C14 | C18 | N2 | H20 | 120.9° | 120.0° |
| C18 | C14 | C13 | H8 | 4.9° | 0.0° |
| C18 | C14 | C15 | H9 | 2.7° | 0.0° |
| C14 | C18 | H19 | H20 | 117.2° | 120.0° |
| C14 | C18 | N2 | H21 | 180.0° | 56.0° |
| C14 | C18 | N2 | H22 | 60.0° | 180.0° |
| N2 | C18 | H19 | H20 | 117.1° | 120.1° |
| C18 | N2 | H21 | H22 | 120.0° | 123.9° |
| H1 | N1 | C1 | H11 | 132.7° | 160.3° |
| H2 | C4 | C5 | H3 | 56.9° | 57.5° |
| H2 | C4 | C3 | H12 | 55.7° | 57.0° |
| H2 | C4 | O4 | H16 | 61.7° | 59.9° |
| H3 | C5 | C6 | H4 | 59.2° | 60.0° |
| H3 | C5 | C6 | H5 | 179.3° | 60.0° |
| H3 | C5 | C6 | H6 | 60.8° | 180.0° |
| H4 | C6 | H5 | H6 | 120.0° | 120.0° |
| H7 | C10 | C9 | H17 | 1.9° | 0.1° |
| H9 | C15 | C16 | H18 | 2.7° | 0.6° |
| H10 | C17 | C16 | H18 | 1.3° | 0.1° |
| H11 | C1 | C2 | H14 | 176.8° | 177.7° |
| H12 | C3 | O3 | H13 | 63.0° | 59.7° |
| H12 | C3 | C2 | H14 | 175.7° | 177.2° |
| H14 | C2 | O2 | H15 | 62.4° | 59.9° |
| H19 | C18 | N2 | H21 | 59.1° | 63.9° |
| H19 | C18 | N2 | H22 | 179.0° | 60.0° |
| H20 | C18 | N2 | H21 | 59.1° | 176.0° |
| H20 | C18 | N2 | H22 | 60.9° | 60.0° |
