G8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.33Å | |
| N1 | C3 | sing | 1.47Å | 1.36Å | |
| N1 | C2 | sing | 1.47Å | 1.34Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C2 | C18 | sing | 1.53Å | 1.54Å | |
| C4 | N2 | sing | 1.47Å | 1.34Å | |
| C18 | N2 | sing | 1.47Å | 1.34Å | |
| N2 | S1 | sing | 1.66Å | 1.54Å | |
| S1 | O2 | doub | 1.42Å | 1.64Å | |
| S1 | C5 | sing | 1.76Å | 1.77Å | |
| S1 | O1 | doub | 1.42Å | 1.72Å | |
| C10 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C11 | sing | 1.48Å | 1.52Å | |
| C11 | N4 | doub | 1.33Å | 1.31Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C14 | sing | 1.33Å | 1.36Å | Aromatic |
| C12 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| N5 | C16 | sing | 1.47Å | 1.48Å | |
| N5 | C15 | sing | 1.35Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.59Å | |
| C14 | C15 | sing | 1.48Å | 1.53Å | |
| C14 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| N3 | C13 | sing | 1.33Å | 1.33Å | Aromatic |
| C15 | O3 | doub | 1.22Å | 1.22Å | |
| C13 | N6 | sing | 1.38Å | 1.48Å | |
| C19 | O4 | sing | 1.43Å | 1.41Å | |
| C17 | O4 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.08Å | 1.08Å | |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N6 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C3 | 115.4° | 111.0° |
| C1 | N1 | C2 | 114.6° | 111.0° |
| N1 | C1 | H19 | 109.5° | 109.5° |
| N1 | C1 | H20 | 109.5° | 109.5° |
| N1 | C1 | H21 | 109.4° | 109.5° |
| C3 | N1 | C2 | 112.6° | 111.2° |
| N1 | C3 | C4 | 118.7° | 109.3° |
| N1 | C3 | H22 | 107.1° | 109.4° |
| N1 | C3 | H23 | 107.1° | 109.5° |
| N1 | C2 | C18 | 112.8° | 109.4° |
| N1 | C2 | H2 | 108.6° | 109.5° |
| N1 | C2 | H3 | 108.6° | 109.5° |
| C3 | C4 | N2 | 117.4° | 108.5° |
| C3 | C4 | H4 | 107.5° | 109.6° |
| C3 | C4 | H5 | 107.4° | 109.8° |
| C4 | C3 | H22 | 107.1° | 109.5° |
| C4 | C3 | H23 | 107.1° | 109.5° |
| C2 | C18 | N2 | 110.2° | 108.5° |
| C18 | C2 | H2 | 108.6° | 109.5° |
| C18 | C2 | H3 | 108.6° | 109.5° |
| C2 | C18 | H14 | 109.3° | 109.7° |
| C2 | C18 | H15 | 109.3° | 109.7° |
| C4 | N2 | C18 | 108.4° | 118.2° |
| C4 | N2 | S1 | 115.7° | 120.9° |
| N2 | C4 | H4 | 107.5° | 109.7° |
| N2 | C4 | H5 | 107.5° | 109.7° |
| C18 | N2 | S1 | 119.2° | 120.9° |
| N2 | C18 | H14 | 109.3° | 109.6° |
| N2 | C18 | H15 | 109.3° | 109.6° |
| N2 | S1 | O2 | 107.0° | 106.4° |
| N2 | S1 | C5 | 110.6° | 107.2° |
| N2 | S1 | O1 | 117.1° | 106.4° |
| O2 | S1 | C5 | 110.4° | 106.4° |
| O2 | S1 | O1 | 105.9° | 123.2° |
| C5 | S1 | O1 | 105.5° | 106.4° |
| S1 | C5 | C10 | 123.8° | 119.9° |
| S1 | C5 | C6 | 111.8° | 119.9° |
| C5 | C10 | C9 | 118.5° | 120.2° |
| C10 | C5 | C6 | 124.3° | 120.2° |
| C5 | C10 | H8 | 120.7° | 119.9° |
| C10 | C9 | C8 | 117.8° | 119.8° |
| C9 | C10 | H8 | 120.8° | 119.9° |
| C10 | C9 | H25 | 121.1° | 120.1° |
| C5 | C6 | C7 | 117.4° | 120.2° |
| C5 | C6 | H7 | 121.3° | 119.9° |
| C9 | C8 | C7 | 121.6° | 119.8° |
| C9 | C8 | C11 | 118.8° | 120.1° |
| C8 | C9 | H25 | 121.1° | 120.1° |
| C6 | C7 | C8 | 120.3° | 119.8° |
| C7 | C6 | H7 | 121.3° | 119.9° |
| C6 | C7 | H24 | 119.9° | 120.0° |
| C7 | C8 | C11 | 119.4° | 120.1° |
| C8 | C7 | H24 | 119.8° | 120.1° |
| C8 | C11 | N4 | 121.7° | 119.9° |
| C8 | C11 | C12 | 117.2° | 120.0° |
| N4 | C11 | C12 | 121.0° | 120.2° |
| C11 | N4 | C14 | 119.6° | 119.8° |
| C11 | C12 | N3 | 119.1° | 120.2° |
| C11 | C12 | H9 | 120.5° | 119.9° |
| N4 | C14 | C15 | 112.7° | 120.0° |
| N4 | C14 | C13 | 120.5° | 119.8° |
| C12 | N3 | C13 | 122.9° | 120.1° |
| N3 | C12 | H9 | 120.4° | 119.9° |
| C16 | N5 | C15 | 124.3° | 120.0° |
| N5 | C16 | C17 | 107.0° | 109.5° |
| C16 | N5 | H6 | 117.8° | 120.0° |
| N5 | C16 | H10 | 110.1° | 109.4° |
| N5 | C16 | H11 | 110.1° | 109.5° |
| N5 | C15 | C14 | 111.9° | 120.0° |
| N5 | C15 | O3 | 126.7° | 120.0° |
| C15 | N5 | H6 | 117.9° | 120.0° |
| C16 | C17 | O4 | 115.6° | 109.5° |
| C17 | C16 | H10 | 110.1° | 109.5° |
| C17 | C16 | H11 | 110.1° | 109.5° |
| C16 | C17 | H12 | 107.9° | 109.4° |
| C16 | C17 | H13 | 107.9° | 109.5° |
| C15 | C14 | C13 | 126.7° | 120.2° |
| C14 | C15 | O3 | 121.3° | 120.0° |
| C14 | C13 | N3 | 116.8° | 119.9° |
| C14 | C13 | N6 | 128.2° | 120.0° |
| N3 | C13 | N6 | 115.0° | 120.1° |
| C13 | N6 | H26 | 109.5° | 120.0° |
| C13 | N6 | H27 | 109.5° | 120.0° |
| C19 | O4 | C17 | 110.4° | 114.0° |
| O4 | C19 | H16 | 109.5° | 109.5° |
| O4 | C19 | H17 | 109.5° | 109.4° |
| O4 | C19 | H18 | 109.4° | 109.5° |
| O4 | C17 | H12 | 107.9° | 109.4° |
| O4 | C17 | H13 | 107.9° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.6° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.7° |
| H16 | C19 | H17 | 109.4° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H19 | C1 | H21 | 109.5° | 109.4° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.6° |
| H26 | N6 | H27 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C3 | C2 | 134.2° | 124.1° |
| C1 | N1 | C3 | C4 | 160.2° | 172.8° |
| C1 | N1 | C2 | C18 | 179.3° | 172.7° |
| C1 | N1 | C2 | H2 | 58.8° | 67.3° |
| C1 | N1 | C2 | H3 | 60.3° | 52.8° |
| N1 | C1 | H19 | H20 | 120.0° | 120.0° |
| N1 | C1 | H19 | H21 | 120.0° | 120.0° |
| N1 | C1 | H20 | H21 | 120.0° | 120.1° |
| C1 | N1 | C3 | H22 | 78.5° | 52.8° |
| C1 | N1 | C3 | H23 | 38.8° | 67.3° |
| N1 | C3 | C4 | H22 | 121.3° | 119.9° |
| N1 | C3 | C4 | H23 | 121.3° | 119.9° |
| C3 | N1 | C2 | C18 | 44.7° | 63.2° |
| N1 | C3 | C4 | N2 | 24.7° | 53.8° |
| C3 | N1 | C2 | H2 | 75.8° | 56.8° |
| C3 | N1 | C2 | H3 | 165.1° | 176.9° |
| N1 | C3 | C4 | H4 | 96.4° | 65.9° |
| N1 | C3 | C4 | H5 | 145.8° | 173.7° |
| C3 | N1 | C1 | H19 | 180.0° | 60.0° |
| C3 | N1 | C1 | H20 | 60.0° | 180.0° |
| C3 | N1 | C1 | H21 | 60.0° | 60.0° |
| N1 | C3 | H22 | H23 | 115.8° | 120.1° |
| C2 | N1 | C3 | C4 | 25.9° | 63.1° |
| N1 | C2 | C18 | H2 | 120.5° | 120.0° |
| N1 | C2 | C18 | H3 | 120.5° | 120.0° |
| N1 | C2 | C18 | N2 | 66.7° | 53.9° |
| N1 | C2 | H2 | H3 | 118.5° | 120.1° |
| N1 | C2 | C18 | H14 | 173.2° | 173.6° |
| N1 | C2 | C18 | H15 | 53.4° | 65.8° |
| C2 | N1 | C1 | H19 | 46.7° | 175.7° |
| C2 | N1 | C1 | H20 | 73.3° | 55.7° |
| C2 | N1 | C1 | H21 | 166.7° | 64.3° |
| C2 | N1 | C3 | H22 | 147.2° | 176.9° |
| C2 | N1 | C3 | H23 | 95.4° | 56.8° |
| C3 | C4 | N2 | H4 | 121.1° | 119.7° |
| C3 | C4 | N2 | H5 | 121.1° | 119.9° |
| C3 | C4 | N2 | C18 | 42.6° | 51.2° |
| C3 | C4 | N2 | S1 | 179.7° | 128.9° |
| C3 | C4 | H4 | H5 | 116.4° | 120.5° |
| C4 | C3 | H22 | H23 | 115.8° | 120.1° |
| C2 | C18 | N2 | C4 | 61.3° | 51.2° |
| C2 | C18 | N2 | H14 | 120.1° | 119.7° |
| C2 | C18 | N2 | H15 | 120.1° | 119.7° |
| C2 | C18 | N2 | S1 | 163.3° | 128.9° |
| C18 | C2 | H2 | H3 | 118.5° | 120.0° |
| C2 | C18 | H14 | H15 | 119.7° | 120.5° |
| C4 | N2 | C18 | S1 | 135.3° | 179.9° |
| C4 | N2 | S1 | O2 | 39.7° | 23.5° |
| C4 | N2 | S1 | C5 | 80.6° | 90.0° |
| C4 | N2 | S1 | O1 | 158.4° | 156.4° |
| N2 | C4 | H4 | H5 | 116.4° | 120.4° |
| C4 | N2 | C18 | H14 | 178.6° | 171.0° |
| C4 | N2 | C18 | H15 | 58.8° | 68.5° |
| N2 | C4 | C3 | H22 | 146.0° | 173.7° |
| N2 | C4 | C3 | H23 | 96.6° | 66.1° |
| C18 | N2 | S1 | O2 | 171.9° | 156.4° |
| C18 | N2 | S1 | C5 | 51.6° | 90.1° |
| C18 | N2 | S1 | O1 | 69.4° | 23.5° |
| N2 | C18 | C2 | H2 | 53.8° | 66.1° |
| N2 | C18 | C2 | H3 | 172.8° | 173.8° |
| C18 | N2 | C4 | H4 | 78.5° | 68.5° |
| C18 | N2 | C4 | H5 | 163.7° | 171.1° |
| N2 | C18 | H14 | H15 | 119.6° | 120.4° |
| N2 | S1 | O2 | C5 | 120.5° | 114.0° |
| N2 | S1 | O2 | O1 | 125.7° | 123.0° |
| N2 | S1 | C5 | O1 | 127.7° | 113.5° |
| N2 | S1 | C5 | C10 | 60.1° | 90.1° |
| N2 | S1 | C5 | C6 | 116.9° | 90.0° |
| S1 | N2 | C4 | H4 | 58.6° | 111.4° |
| S1 | N2 | C4 | H5 | 59.2° | 9.0° |
| S1 | N2 | C18 | H14 | 43.2° | 9.1° |
| S1 | N2 | C18 | H15 | 76.5° | 111.4° |
| O2 | S1 | C5 | O1 | 114.0° | 133.0° |
| O2 | S1 | C5 | C10 | 58.2° | 156.4° |
| O2 | S1 | C5 | C6 | 124.9° | 23.5° |
| S1 | C5 | C10 | C6 | 176.6° | 179.9° |
| S1 | C5 | C10 | C9 | 177.8° | 179.4° |
| S1 | C5 | C6 | C7 | 177.8° | 180.0° |
| S1 | C5 | C6 | H7 | 2.2° | 0.2° |
| S1 | C5 | C10 | H8 | 2.2° | 0.1° |
| O1 | S1 | C5 | C10 | 172.2° | 23.5° |
| O1 | S1 | C5 | C6 | 10.8° | 156.5° |
| C5 | C10 | C9 | H8 | 180.0° | 179.4° |
| C5 | C10 | C9 | C8 | 0.7° | 0.9° |
| C10 | C5 | C6 | C7 | 0.8° | 0.0° |
| C10 | C5 | C6 | H7 | 179.2° | 179.7° |
| C5 | C10 | C9 | H25 | 179.3° | 180.0° |
| C9 | C10 | C5 | C6 | 1.2° | 0.6° |
| C10 | C9 | C8 | H25 | 180.0° | 179.2° |
| C10 | C9 | C8 | C7 | 3.0° | 0.5° |
| C10 | C9 | C8 | C11 | 178.0° | 179.4° |
| C5 | C6 | C7 | H7 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 1.5° | 0.3° |
| C6 | C5 | C10 | H8 | 178.8° | 180.0° |
| C5 | C6 | C7 | H24 | 178.5° | 179.8° |
| C9 | C8 | C7 | C6 | 3.5° | 0.1° |
| C9 | C8 | C7 | C11 | 175.0° | 179.9° |
| C9 | C8 | C11 | N4 | 35.9° | 5.0° |
| C9 | C8 | C11 | C12 | 141.0° | 175.1° |
| C8 | C9 | C10 | H8 | 179.3° | 179.8° |
| C9 | C8 | C7 | H24 | 176.5° | 180.0° |
| C6 | C7 | C8 | H24 | 180.0° | 179.9° |
| C6 | C7 | C8 | C11 | 178.5° | 180.0° |
| C7 | C8 | C11 | N4 | 148.9° | 175.0° |
| C7 | C8 | C11 | C12 | 34.1° | 5.0° |
| C8 | C7 | C6 | H7 | 178.5° | 180.0° |
| C7 | C8 | C9 | H25 | 177.0° | 179.7° |
| C8 | C11 | N4 | C12 | 176.9° | 180.0° |
| C8 | C11 | N4 | C14 | 178.0° | 180.0° |
| C8 | C11 | C12 | N3 | 178.4° | 180.0° |
| C8 | C11 | C12 | H9 | 1.6° | 0.0° |
| C11 | C8 | C7 | H24 | 1.6° | 0.1° |
| C11 | C8 | C9 | H25 | 2.0° | 0.2° |
| N4 | C11 | C12 | N3 | 1.4° | 0.1° |
| C11 | N4 | C14 | C15 | 179.1° | 180.0° |
| C11 | N4 | C14 | C13 | 1.3° | 0.0° |
| N4 | C11 | C12 | H9 | 178.6° | 180.0° |
| C12 | C11 | N4 | C14 | 1.1° | 0.0° |
| C11 | C12 | N3 | H9 | 180.0° | 180.0° |
| C11 | C12 | N3 | C13 | 1.8° | 0.0° |
| N4 | C14 | C15 | N5 | 1.8° | 5.6° |
| N4 | C14 | C15 | C13 | 177.6° | 179.9° |
| N4 | C14 | C13 | N3 | 1.7° | 0.0° |
| N4 | C14 | C15 | O3 | 175.3° | 174.4° |
| N4 | C14 | C13 | N6 | 177.5° | 180.0° |
| C12 | N3 | C13 | C14 | 2.0° | 0.0° |
| C12 | N3 | C13 | N6 | 177.3° | 180.0° |
| C16 | N5 | C15 | H6 | 180.0° | 180.0° |
| N5 | C16 | C17 | H10 | 119.6° | 120.0° |
| N5 | C16 | C17 | H11 | 119.6° | 120.0° |
| C16 | N5 | C15 | C14 | 179.6° | 180.0° |
| C16 | N5 | C15 | O3 | 3.4° | 0.0° |
| N5 | C16 | C17 | O4 | 158.3° | 65.0° |
| N5 | C16 | H10 | H11 | 121.2° | 120.0° |
| N5 | C16 | C17 | H12 | 37.4° | 175.0° |
| N5 | C16 | C17 | H13 | 80.8° | 55.1° |
| C15 | N5 | C16 | C17 | 46.0° | 180.0° |
| N5 | C15 | C14 | O3 | 177.2° | 180.0° |
| N5 | C15 | C14 | C13 | 179.4° | 174.4° |
| C15 | N5 | C16 | H10 | 73.6° | 60.0° |
| C15 | N5 | C16 | H11 | 165.6° | 60.0° |
| C16 | C17 | O4 | C19 | 43.5° | 180.0° |
| C16 | C17 | O4 | H12 | 120.9° | 120.0° |
| C16 | C17 | O4 | H13 | 120.9° | 120.1° |
| C17 | C16 | N5 | H6 | 134.0° | 0.0° |
| C17 | C16 | H10 | H11 | 121.1° | 120.0° |
| C16 | C17 | H12 | H13 | 117.2° | 120.0° |
| C15 | C14 | C13 | N3 | 179.1° | 180.0° |
| C15 | C14 | C13 | N6 | 0.1° | 0.0° |
| C14 | C15 | N5 | H6 | 0.4° | 0.0° |
| C14 | C13 | N3 | N6 | 179.3° | 180.0° |
| C13 | C14 | C15 | O3 | 2.3° | 5.6° |
| C14 | C13 | N6 | H26 | 179.2° | 174.7° |
| C14 | C13 | N6 | H27 | 59.2° | 5.4° |
| C13 | N3 | C12 | H9 | 178.1° | 180.0° |
| N3 | C13 | N6 | H26 | 0.0° | 5.3° |
| N3 | C13 | N6 | H27 | 120.0° | 174.5° |
| O3 | C15 | N5 | H6 | 176.6° | 180.0° |
| C13 | N6 | H26 | H27 | 120.0° | 179.9° |
| C19 | O4 | C17 | H12 | 164.4° | 60.0° |
| C19 | O4 | C17 | H13 | 77.4° | 59.9° |
| O4 | C19 | H16 | H17 | 120.0° | 119.9° |
| O4 | C19 | H16 | H18 | 120.0° | 120.0° |
| O4 | C19 | H17 | H18 | 120.0° | 120.0° |
| O4 | C17 | C16 | H10 | 82.1° | 54.9° |
| O4 | C17 | C16 | H11 | 38.7° | 175.0° |
| O4 | C17 | H12 | H13 | 117.2° | 120.0° |
| C17 | O4 | C19 | H16 | 180.0° | 60.0° |
| C17 | O4 | C19 | H17 | 60.0° | 180.0° |
| C17 | O4 | C19 | H18 | 60.0° | 60.0° |
| H2 | C2 | C18 | H14 | 66.3° | 53.6° |
| H2 | C2 | C18 | H15 | 173.9° | 174.2° |
| H3 | C2 | C18 | H14 | 52.7° | 66.4° |
| H3 | C2 | C18 | H15 | 67.0° | 54.1° |
| H4 | C4 | C3 | H22 | 24.9° | 54.0° |
| H4 | C4 | C3 | H23 | 142.2° | 174.2° |
| H5 | C4 | C3 | H22 | 92.8° | 66.4° |
| H5 | C4 | C3 | H23 | 24.5° | 53.8° |
| H6 | N5 | C16 | H10 | 106.4° | 120.0° |
| H6 | N5 | C16 | H11 | 14.4° | 120.0° |
| H7 | C6 | C7 | H24 | 1.5° | 0.0° |
| H8 | C10 | C9 | H25 | 0.7° | 0.6° |
| H10 | C16 | C17 | H12 | 157.0° | 65.0° |
| H10 | C16 | C17 | H13 | 38.8° | 175.0° |
| H11 | C16 | C17 | H12 | 82.2° | 55.0° |
| H11 | C16 | C17 | H13 | 159.5° | 64.9° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H19 | C1 | H20 | H21 | 120.0° | 119.9° |
