RS8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.51Å | 1.57Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O5 | C18 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C18 | sing | 1.51Å | 1.51Å | |
| C10 | N7 | sing | 1.46Å | 1.47Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | O4 | sing | 1.34Å | 1.33Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| N7 | C9 | sing | 1.35Å | 1.35Å | |
| O3 | C9 | doub | 1.21Å | 1.22Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | N6 | sing | 1.46Å | 1.46Å | |
| N6 | C7 | sing | 1.35Å | 1.32Å | |
| C6 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| N5 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| O1 | C2 | doub | 1.22Å | 1.26Å | |
| C7 | C5 | sing | 1.48Å | 1.50Å | |
| C7 | O2 | doub | 1.22Å | 1.24Å | |
| C5 | N4 | doub | 1.33Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.43Å | |
| C3 | C4 | doub | 1.41Å | 1.47Å | Aromatic |
| C2 | N2 | sing | 1.34Å | 1.31Å | |
| N4 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.34Å | |
| N2 | C1 | doub | 1.32Å | 1.35Å | |
| N3 | C1 | sing | 1.36Å | 1.31Å | |
| C1 | N1 | sing | 1.37Å | 1.33Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| N7 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 107.6° | 109.5° |
| C11 | C12 | C13 | 122.2° | 120.0° |
| C11 | C12 | C17 | 121.1° | 120.0° |
| C12 | C11 | H3 | 109.9° | 109.5° |
| C12 | C11 | H4 | 109.9° | 109.5° |
| C11 | C10 | C18 | 122.3° | 109.5° |
| C11 | C10 | N7 | 106.1° | 109.5° |
| C11 | C10 | H2 | 106.2° | 109.5° |
| C10 | C11 | H3 | 109.9° | 109.5° |
| C10 | C11 | H4 | 109.9° | 109.5° |
| C12 | C13 | C14 | 124.8° | 120.0° |
| C13 | C12 | C17 | 116.7° | 120.0° |
| C12 | C13 | H9 | 117.6° | 120.0° |
| C13 | C14 | C15 | 118.2° | 120.0° |
| C13 | C14 | H8 | 120.9° | 120.0° |
| C14 | C13 | H9 | 117.6° | 120.0° |
| C12 | C17 | C16 | 119.3° | 120.0° |
| C12 | C17 | H5 | 120.3° | 120.0° |
| O5 | C18 | C10 | 123.9° | 120.0° |
| O5 | C18 | O4 | 116.8° | 120.0° |
| C14 | C15 | C16 | 116.5° | 120.0° |
| C14 | C15 | H7 | 121.8° | 120.0° |
| C15 | C14 | H8 | 120.9° | 120.0° |
| C18 | C10 | N7 | 107.5° | 109.5° |
| C10 | C18 | O4 | 119.3° | 120.0° |
| C18 | C10 | H2 | 106.8° | 109.5° |
| C10 | N7 | C9 | 125.3° | 120.0° |
| N7 | C10 | H2 | 107.3° | 109.5° |
| C10 | N7 | H10 | 117.3° | 120.0° |
| C17 | C16 | C15 | 124.4° | 120.0° |
| C16 | C17 | H5 | 120.3° | 120.0° |
| C17 | C16 | H6 | 117.8° | 120.0° |
| C18 | O4 | H1 | 109.5° | 117.0° |
| C15 | C16 | H6 | 117.8° | 120.0° |
| C16 | C15 | H7 | 121.8° | 120.0° |
| N7 | C9 | O3 | 128.4° | 119.9° |
| N7 | C9 | C8 | 117.0° | 120.0° |
| C9 | N7 | H10 | 117.3° | 120.0° |
| O3 | C9 | C8 | 114.6° | 120.1° |
| C9 | C8 | N6 | 111.0° | 109.4° |
| C9 | C8 | H11 | 109.1° | 109.5° |
| C9 | C8 | H12 | 109.1° | 109.4° |
| C8 | N6 | C7 | 120.7° | 120.0° |
| N6 | C8 | H11 | 109.1° | 109.5° |
| N6 | C8 | H12 | 109.1° | 109.5° |
| C8 | N6 | H13 | 119.7° | 120.1° |
| N6 | C7 | C5 | 119.1° | 120.0° |
| N6 | C7 | O2 | 121.8° | 120.0° |
| C7 | N6 | H13 | 119.7° | 119.9° |
| N5 | C6 | C5 | 121.9° | 120.3° |
| C6 | N5 | C3 | 117.2° | 119.6° |
| N5 | C6 | H14 | 119.0° | 119.8° |
| C6 | C5 | C7 | 119.4° | 119.9° |
| C6 | C5 | N4 | 121.0° | 120.3° |
| C5 | C6 | H14 | 119.1° | 119.9° |
| N5 | C3 | C2 | 123.4° | 121.8° |
| N5 | C3 | C4 | 121.2° | 120.3° |
| O1 | C2 | C3 | 119.1° | 120.8° |
| O1 | C2 | N2 | 117.5° | 120.8° |
| C5 | C7 | O2 | 117.9° | 120.0° |
| C7 | C5 | N4 | 119.6° | 119.8° |
| C5 | N4 | C4 | 118.1° | 119.6° |
| C2 | C3 | C4 | 114.9° | 117.9° |
| C3 | C2 | N2 | 123.3° | 118.4° |
| C3 | C4 | N4 | 119.6° | 119.9° |
| C3 | C4 | N3 | 116.6° | 118.5° |
| C2 | N2 | C1 | 117.7° | 121.7° |
| N4 | C4 | N3 | 122.4° | 121.7° |
| C4 | N3 | C1 | 121.7° | 120.5° |
| C4 | N3 | H15 | 119.1° | 119.7° |
| N2 | C1 | N3 | 123.0° | 123.0° |
| N2 | C1 | N1 | 119.7° | 118.5° |
| N3 | C1 | N1 | 116.4° | 118.5° |
| C1 | N3 | H15 | 119.2° | 119.8° |
| C1 | N1 | H16 | 120.0° | 120.0° |
| C1 | N1 | H17 | 120.0° | 120.0° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H16 | N1 | H17 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H3 | 119.7° | 120.0° |
| C12 | C11 | C10 | H4 | 119.7° | 120.0° |
| C11 | C12 | C13 | C17 | 178.7° | 179.7° |
| C11 | C12 | C13 | C14 | 178.5° | 179.7° |
| C12 | C11 | C10 | C18 | 54.9° | 175.0° |
| C12 | C11 | C10 | N7 | 68.6° | 65.0° |
| C11 | C12 | C17 | C16 | 178.8° | 180.0° |
| C12 | C11 | C10 | H2 | 177.5° | 55.0° |
| C12 | C11 | H3 | H4 | 120.8° | 120.0° |
| C11 | C12 | C17 | H5 | 1.3° | 0.0° |
| C11 | C12 | C13 | H9 | 1.5° | 0.0° |
| C10 | C11 | C12 | C13 | 84.4° | 90.3° |
| C10 | C11 | C12 | C17 | 94.2° | 90.0° |
| C11 | C10 | C18 | O5 | 63.9° | 120.0° |
| C11 | C10 | C18 | N7 | 122.9° | 120.0° |
| C11 | C10 | C18 | H2 | 122.3° | 120.0° |
| C11 | C10 | N7 | H2 | 113.1° | 120.0° |
| C11 | C10 | C18 | O4 | 117.8° | 60.2° |
| C11 | C10 | N7 | C9 | 127.6° | 155.0° |
| C10 | C11 | H3 | H4 | 120.9° | 120.0° |
| C11 | C10 | N7 | H10 | 52.3° | 25.0° |
| C12 | C13 | C14 | H9 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 3.5° | 0.6° |
| C13 | C12 | C17 | C16 | 0.1° | 0.3° |
| C13 | C12 | C11 | H3 | 155.9° | 149.7° |
| C13 | C12 | C11 | H4 | 35.3° | 29.8° |
| C13 | C12 | C17 | H5 | 179.9° | 179.7° |
| C12 | C13 | C14 | H8 | 176.5° | 179.7° |
| C14 | C13 | C12 | C17 | 2.9° | 0.6° |
| C13 | C14 | C15 | H8 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 1.3° | 0.3° |
| C13 | C14 | C15 | H7 | 178.7° | 179.7° |
| C12 | C17 | C16 | H5 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 2.0° | 0.0° |
| C17 | C12 | C11 | H3 | 25.5° | 30.0° |
| C17 | C12 | C11 | H4 | 146.1° | 149.9° |
| C12 | C17 | C16 | H6 | 178.0° | 179.9° |
| C17 | C12 | C13 | H9 | 177.1° | 179.7° |
| O5 | C18 | C10 | O4 | 178.3° | 179.8° |
| O5 | C18 | C10 | N7 | 173.3° | 0.0° |
| O5 | C18 | O4 | H1 | 0.0° | 0.0° |
| O5 | C18 | C10 | H2 | 58.4° | 120.0° |
| C14 | C15 | C16 | C17 | 1.4° | 0.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H6 | 178.6° | 179.9° |
| C15 | C14 | C13 | H9 | 176.5° | 179.7° |
| C18 | C10 | N7 | H2 | 114.5° | 120.0° |
| C18 | C10 | N7 | C9 | 100.0° | 85.0° |
| C10 | C18 | O4 | H1 | 178.5° | 179.7° |
| C18 | C10 | C11 | H3 | 174.6° | 65.0° |
| C18 | C10 | C11 | H4 | 64.8° | 55.0° |
| C18 | C10 | N7 | H10 | 80.0° | 95.0° |
| N7 | C10 | C18 | O4 | 5.1° | 179.8° |
| C10 | N7 | C9 | H10 | 180.0° | 180.0° |
| C10 | N7 | C9 | O3 | 4.0° | 0.1° |
| C10 | N7 | C9 | C8 | 176.3° | 180.0° |
| N7 | C10 | C11 | H3 | 51.1° | 55.0° |
| N7 | C10 | C11 | H4 | 171.7° | 175.0° |
| C17 | C16 | C15 | H6 | 180.0° | 180.0° |
| C17 | C16 | C15 | H7 | 178.6° | 180.0° |
| O4 | C18 | C10 | H2 | 119.9° | 59.7° |
| C15 | C16 | C17 | H5 | 178.0° | 180.0° |
| C16 | C15 | C14 | H8 | 178.7° | 180.0° |
| N7 | C9 | O3 | C8 | 179.7° | 179.9° |
| N7 | C9 | C8 | N6 | 9.6° | 180.0° |
| C9 | N7 | C10 | H2 | 14.5° | 35.0° |
| N7 | C9 | C8 | H11 | 129.8° | 60.0° |
| N7 | C9 | C8 | H12 | 110.6° | 60.1° |
| O3 | C9 | C8 | N6 | 170.1° | 0.1° |
| O3 | C9 | N7 | H10 | 176.0° | 180.0° |
| O3 | C9 | C8 | H11 | 49.9° | 119.9° |
| O3 | C9 | C8 | H12 | 69.6° | 120.0° |
| C9 | C8 | N6 | H11 | 120.2° | 120.0° |
| C9 | C8 | N6 | H12 | 120.2° | 119.9° |
| C9 | C8 | N6 | C7 | 129.3° | 180.0° |
| C8 | C9 | N7 | H10 | 3.7° | 0.1° |
| C9 | C8 | H11 | H12 | 119.3° | 120.0° |
| C9 | C8 | N6 | H13 | 50.7° | 0.0° |
| C8 | N6 | C7 | H13 | 180.0° | 180.0° |
| C8 | N6 | C7 | C5 | 175.0° | 180.0° |
| C8 | N6 | C7 | O2 | 17.9° | 0.0° |
| N6 | C8 | H11 | H12 | 119.3° | 120.0° |
| N6 | C7 | C5 | C6 | 0.3° | 179.7° |
| N6 | C7 | C5 | O2 | 167.6° | 180.0° |
| N6 | C7 | C5 | N4 | 177.4° | 0.0° |
| C7 | N6 | C8 | H11 | 110.4° | 60.0° |
| C7 | N6 | C8 | H12 | 9.1° | 60.1° |
| N5 | C6 | C5 | H14 | 180.0° | 180.0° |
| N5 | C6 | C5 | C7 | 175.6° | 180.0° |
| N5 | C6 | C5 | N4 | 7.3° | 0.3° |
| C6 | N5 | C3 | C2 | 176.5° | 180.0° |
| C6 | N5 | C3 | C4 | 5.7° | 0.2° |
| C5 | C6 | N5 | C3 | 4.9° | 0.0° |
| C6 | C5 | C7 | N4 | 177.1° | 179.7° |
| C6 | C5 | C7 | O2 | 167.9° | 0.3° |
| C6 | C5 | N4 | C4 | 10.1° | 0.3° |
| N5 | C3 | C2 | O1 | 5.7° | 0.1° |
| N5 | C3 | C2 | C4 | 171.3° | 179.8° |
| N5 | C3 | C2 | N2 | 177.7° | 180.0° |
| N5 | C3 | C4 | N4 | 8.8° | 0.2° |
| N5 | C3 | C4 | N3 | 175.4° | 179.7° |
| C3 | N5 | C6 | H14 | 175.1° | 180.0° |
| O1 | C2 | C3 | N2 | 176.6° | 179.9° |
| O1 | C2 | C3 | C4 | 177.0° | 179.8° |
| O1 | C2 | N2 | C1 | 178.8° | 179.9° |
| C7 | C5 | N4 | C4 | 172.9° | 180.0° |
| C5 | C7 | N6 | H13 | 5.0° | 0.0° |
| C7 | C5 | C6 | H14 | 4.3° | 0.0° |
| O2 | C7 | C5 | N4 | 15.0° | 180.0° |
| O2 | C7 | N6 | H13 | 162.1° | 180.0° |
| C5 | N4 | C4 | C3 | 10.8° | 0.1° |
| C5 | N4 | C4 | N3 | 176.5° | 180.0° |
| N4 | C5 | C6 | H14 | 172.7° | 179.7° |
| C2 | C3 | C4 | N4 | 179.6° | 180.0° |
| C2 | C3 | C4 | N3 | 13.1° | 0.1° |
| C3 | C2 | N2 | C1 | 4.6° | 0.0° |
| C4 | C3 | C2 | N2 | 6.3° | 0.1° |
| C3 | C4 | N4 | N3 | 165.7° | 179.9° |
| C3 | C4 | N3 | C1 | 19.4° | 0.6° |
| C3 | C4 | N3 | H15 | 160.6° | 180.0° |
| C2 | N2 | C1 | N3 | 10.2° | 0.5° |
| C2 | N2 | C1 | N1 | 178.8° | 179.9° |
| N4 | C4 | N3 | C1 | 174.5° | 179.5° |
| N4 | C4 | N3 | H15 | 5.5° | 0.1° |
| C4 | N3 | C1 | N2 | 18.5° | 0.8° |
| C4 | N3 | C1 | H15 | 180.0° | 179.5° |
| C4 | N3 | C1 | N1 | 172.6° | 179.6° |
| N2 | C1 | N3 | N1 | 168.9° | 179.6° |
| N2 | C1 | N3 | H15 | 161.5° | 179.8° |
| N2 | C1 | N1 | H16 | 0.0° | 0.1° |
| N2 | C1 | N1 | H17 | 180.0° | 180.0° |
| N3 | C1 | N1 | H16 | 169.3° | 179.5° |
| N3 | C1 | N1 | H17 | 10.7° | 0.4° |
| N1 | C1 | N3 | H15 | 7.5° | 0.1° |
| C1 | N1 | H16 | H17 | 180.0° | 179.8° |
| H2 | C10 | C11 | H3 | 62.8° | 175.0° |
| H2 | C10 | C11 | H4 | 57.8° | 65.0° |
| H2 | C10 | N7 | H10 | 165.5° | 145.0° |
| H5 | C17 | C16 | H6 | 2.1° | 0.0° |
| H6 | C16 | C15 | H7 | 1.4° | 0.0° |
| H7 | C15 | C14 | H8 | 1.3° | 0.1° |
| H8 | C14 | C13 | H9 | 3.5° | 0.0° |
| H11 | C8 | N6 | H13 | 69.6° | 119.9° |
| H12 | C8 | N6 | H13 | 170.9° | 120.0° |
