L36
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | sing | 1.40Å | 1.35Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| O | C10 | doub | 1.22Å | 1.22Å | |
| N | C10 | sing | 1.35Å | 1.33Å | |
| N | C2 | sing | 1.46Å | 1.45Å | |
| C10 | N2 | sing | 1.35Å | 1.27Å | |
| O1 | C12 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | O2 | sing | 1.45Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O2 | C12 | sing | 1.34Å | 1.33Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| N1 | H21 | sing | 0.97Å | 1.00Å | |
| C8 | H22 | sing | 1.08Å | 1.08Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C7 | C6 | 120.0° | 120.1° |
| N1 | C7 | C8 | 120.0° | 120.1° |
| C7 | N1 | H20 | 109.5° | 120.0° |
| C7 | N1 | H21 | 109.5° | 120.0° |
| C6 | C7 | C8 | 120.0° | 119.8° |
| C7 | C6 | C5 | 120.0° | 119.9° |
| C7 | C6 | H19 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.0° | 119.9° |
| C7 | C8 | H22 | 120.0° | 120.0° |
| C6 | C5 | C4 | 120.0° | 120.1° |
| C6 | C5 | H18 | 120.0° | 119.9° |
| C5 | C6 | H19 | 120.0° | 120.0° |
| C8 | C9 | C4 | 120.0° | 120.1° |
| C9 | C8 | H22 | 120.0° | 120.1° |
| C8 | C9 | H23 | 120.0° | 120.0° |
| C5 | C4 | C9 | 120.0° | 120.1° |
| C5 | C4 | C3 | 120.0° | 119.9° |
| C4 | C5 | H18 | 120.0° | 120.0° |
| C9 | C4 | C3 | 120.0° | 120.0° |
| C4 | C9 | H23 | 120.0° | 119.9° |
| C4 | C3 | N | 113.1° | 109.5° |
| C4 | C3 | H16 | 108.5° | 109.4° |
| C4 | C3 | H17 | 108.5° | 109.4° |
| C3 | N | C10 | 122.3° | 120.0° |
| C3 | N | C2 | 115.3° | 120.0° |
| N | C3 | H16 | 108.5° | 109.5° |
| N | C3 | H17 | 108.6° | 109.5° |
| O | C10 | N | 120.1° | 120.0° |
| O | C10 | N2 | 122.7° | 120.0° |
| C10 | N | C2 | 122.4° | 120.0° |
| N | C10 | N2 | 117.2° | 120.0° |
| N | C2 | C1 | 105.0° | 109.5° |
| N | C2 | H9 | 110.5° | 109.5° |
| N | C2 | H10 | 110.6° | 109.5° |
| C10 | N2 | C11 | 121.3° | 120.0° |
| C10 | N2 | H1 | 119.4° | 120.0° |
| O1 | C12 | O2 | 123.6° | 120.0° |
| O1 | C12 | C11 | 125.1° | 120.0° |
| C14 | C13 | O2 | 109.5° | 109.5° |
| C14 | C13 | H4 | 109.5° | 109.5° |
| C14 | C13 | H5 | 109.5° | 109.5° |
| C13 | C14 | H6 | 109.5° | 109.5° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C13 | C14 | H8 | 109.5° | 109.5° |
| C13 | O2 | C12 | 120.0° | 117.0° |
| O2 | C13 | H4 | 109.5° | 109.5° |
| O2 | C13 | H5 | 109.5° | 109.5° |
| C2 | C1 | C | 111.0° | 109.5° |
| C1 | C2 | H9 | 110.6° | 109.5° |
| C1 | C2 | H10 | 110.6° | 109.4° |
| C2 | C1 | H11 | 109.1° | 109.4° |
| C2 | C1 | H12 | 109.1° | 109.4° |
| O2 | C12 | C11 | 111.3° | 120.0° |
| C12 | C11 | N2 | 109.5° | 109.4° |
| C12 | C11 | H2 | 109.5° | 109.5° |
| C12 | C11 | H3 | 109.5° | 109.5° |
| C11 | N2 | H1 | 119.3° | 120.0° |
| N2 | C11 | H2 | 109.5° | 109.5° |
| N2 | C11 | H3 | 109.5° | 109.5° |
| C | C1 | H11 | 109.1° | 109.5° |
| C | C1 | H12 | 109.1° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.4° | 109.5° |
| H7 | C14 | H8 | 109.4° | 109.4° |
| H9 | C2 | H10 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C | H14 | 109.4° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.5° |
| H20 | N1 | H21 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C7 | C6 | C8 | 180.0° | 180.0° |
| N1 | C7 | C6 | C5 | 180.0° | 180.0° |
| N1 | C7 | C8 | C9 | 180.0° | 179.7° |
| N1 | C7 | C6 | H19 | 0.0° | 0.0° |
| C7 | N1 | H20 | H21 | 120.0° | 180.0° |
| N1 | C7 | C8 | H22 | 0.0° | 0.0° |
| C7 | C6 | C5 | H19 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.3° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H18 | 180.0° | 180.0° |
| C6 | C7 | N1 | H20 | 180.0° | 0.1° |
| C6 | C7 | N1 | H21 | 60.0° | 180.0° |
| C6 | C7 | C8 | H22 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| C7 | C8 | C9 | H22 | 180.0° | 179.7° |
| C7 | C8 | C9 | C4 | 0.0° | 0.5° |
| C8 | C7 | C6 | H19 | 180.0° | 180.0° |
| C8 | C7 | N1 | H20 | 0.1° | 179.9° |
| C8 | C7 | N1 | H21 | 120.0° | 0.1° |
| C7 | C8 | C9 | H23 | 180.0° | 180.0° |
| C6 | C5 | C4 | H18 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 0.0° | 0.2° |
| C6 | C5 | C4 | C3 | 180.0° | 180.0° |
| C8 | C9 | C4 | C5 | 0.0° | 0.5° |
| C8 | C9 | C4 | H23 | 180.0° | 179.5° |
| C8 | C9 | C4 | C3 | 180.0° | 179.7° |
| C5 | C4 | C9 | C3 | 180.0° | 179.8° |
| C5 | C4 | C3 | N | 122.3° | 89.9° |
| C5 | C4 | C3 | H16 | 117.2° | 30.0° |
| C5 | C4 | C3 | H17 | 1.8° | 150.0° |
| C4 | C5 | C6 | H19 | 180.0° | 179.9° |
| C5 | C4 | C9 | H23 | 180.0° | 180.0° |
| C9 | C4 | C3 | N | 57.7° | 90.2° |
| C9 | C4 | C3 | H16 | 62.8° | 149.8° |
| C9 | C4 | C3 | H17 | 178.2° | 29.8° |
| C9 | C4 | C5 | H18 | 180.0° | 179.7° |
| C4 | C9 | C8 | H22 | 180.0° | 179.7° |
| C4 | C3 | N | H16 | 120.5° | 120.0° |
| C4 | C3 | N | H17 | 120.5° | 120.0° |
| C4 | C3 | N | C10 | 108.4° | 90.0° |
| C4 | C3 | N | C2 | 71.6° | 90.0° |
| C4 | C3 | H16 | H17 | 118.3° | 120.0° |
| C3 | C4 | C5 | H18 | 0.0° | 0.1° |
| C3 | C4 | C9 | H23 | 0.0° | 0.2° |
| C3 | N | C10 | O | 10.7° | 0.0° |
| C3 | N | C10 | C2 | 180.0° | 179.9° |
| C3 | N | C10 | N2 | 169.3° | 179.6° |
| C3 | N | C2 | C1 | 94.5° | 89.9° |
| C3 | N | C2 | H9 | 24.7° | 30.1° |
| C3 | N | C2 | H10 | 146.2° | 150.1° |
| N | C3 | H16 | H17 | 118.4° | 120.1° |
| O | C10 | N | N2 | 180.0° | 179.6° |
| O | C10 | N | C2 | 169.3° | 179.9° |
| O | C10 | N2 | C11 | 0.0° | 0.1° |
| O | C10 | N2 | H1 | 180.0° | 180.0° |
| C10 | N | C2 | C1 | 85.5° | 90.0° |
| N | C10 | N2 | C11 | 180.0° | 179.7° |
| N | C10 | N2 | H1 | 0.0° | 0.4° |
| C10 | N | C2 | H9 | 155.2° | 150.0° |
| C10 | N | C2 | H10 | 33.8° | 30.0° |
| C10 | N | C3 | H16 | 12.1° | 150.0° |
| C10 | N | C3 | H17 | 131.1° | 30.0° |
| C2 | N | C10 | N2 | 10.7° | 0.3° |
| N | C2 | C1 | H9 | 119.3° | 120.0° |
| N | C2 | C1 | H10 | 119.3° | 120.0° |
| N | C2 | C1 | C | 169.1° | 180.0° |
| N | C2 | H9 | H10 | 122.0° | 120.0° |
| N | C2 | C1 | H11 | 70.7° | 60.0° |
| N | C2 | C1 | H12 | 48.9° | 60.0° |
| C2 | N | C3 | H16 | 167.9° | 29.9° |
| C2 | N | C3 | H17 | 48.9° | 150.0° |
| C10 | N2 | C11 | C12 | 69.5° | 179.9° |
| C10 | N2 | C11 | H1 | 180.0° | 179.9° |
| C10 | N2 | C11 | H2 | 170.5° | 59.9° |
| C10 | N2 | C11 | H3 | 50.5° | 60.1° |
| O1 | C12 | O2 | C13 | 13.3° | 0.0° |
| O1 | C12 | O2 | C11 | 179.9° | 180.0° |
| O1 | C12 | C11 | N2 | 20.8° | 0.0° |
| O1 | C12 | C11 | H2 | 99.2° | 120.0° |
| O1 | C12 | C11 | H3 | 140.8° | 120.0° |
| C14 | C13 | O2 | H4 | 120.0° | 120.0° |
| C14 | C13 | O2 | H5 | 120.0° | 120.0° |
| C14 | C13 | O2 | C12 | 172.2° | 180.0° |
| C14 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C14 | H6 | H7 | 120.0° | 120.0° |
| C13 | C14 | H6 | H8 | 120.0° | 120.0° |
| C13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C13 | O2 | C12 | C11 | 166.7° | 180.0° |
| O2 | C13 | H4 | H5 | 120.0° | 120.0° |
| O2 | C13 | C14 | H6 | 180.0° | 60.0° |
| O2 | C13 | C14 | H7 | 60.0° | 60.0° |
| O2 | C13 | C14 | H8 | 60.0° | 180.0° |
| C2 | C1 | C | H11 | 120.2° | 120.0° |
| C2 | C1 | C | H12 | 120.2° | 120.0° |
| C1 | C2 | H9 | H10 | 122.1° | 119.9° |
| C2 | C1 | H11 | H12 | 119.3° | 119.9° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| O2 | C12 | C11 | N2 | 159.2° | 180.0° |
| O2 | C12 | C11 | H2 | 80.7° | 60.0° |
| O2 | C12 | C11 | H3 | 39.2° | 60.0° |
| C12 | O2 | C13 | H4 | 67.7° | 60.0° |
| C12 | O2 | C13 | H5 | 52.2° | 60.0° |
| C12 | C11 | N2 | H2 | 120.0° | 120.0° |
| C12 | C11 | N2 | H3 | 120.0° | 120.0° |
| C12 | C11 | N2 | H1 | 110.5° | 0.0° |
| C12 | C11 | H2 | H3 | 120.0° | 120.0° |
| N2 | C11 | H2 | H3 | 120.0° | 120.0° |
| C | C1 | C2 | H9 | 49.8° | 60.0° |
| C | C1 | C2 | H10 | 71.6° | 60.0° |
| C | C1 | H11 | H12 | 119.3° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| H1 | N2 | C11 | H2 | 9.6° | 120.0° |
| H1 | N2 | C11 | H3 | 129.5° | 120.0° |
| H4 | C13 | C14 | H6 | 60.0° | 180.0° |
| H4 | C13 | C14 | H7 | 60.0° | 60.0° |
| H4 | C13 | C14 | H8 | NaN° | 60.0° |
| H5 | C13 | C14 | H6 | 60.0° | 60.0° |
| H5 | C13 | C14 | H7 | 180.0° | 180.0° |
| H5 | C13 | C14 | H8 | 60.0° | 60.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H9 | C2 | C1 | H11 | 170.1° | 180.0° |
| H9 | C2 | C1 | H12 | 70.4° | 60.1° |
| H10 | C2 | C1 | H11 | 48.6° | 60.0° |
| H10 | C2 | C1 | H12 | 168.2° | 180.0° |
| H11 | C1 | C | H13 | 59.8° | 60.0° |
| H11 | C1 | C | H14 | 179.7° | 60.0° |
| H11 | C1 | C | H15 | 60.3° | 180.0° |
| H12 | C1 | C | H13 | 59.8° | 180.0° |
| H12 | C1 | C | H14 | 60.2° | 60.0° |
| H12 | C1 | C | H15 | 179.8° | 60.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H18 | C5 | C6 | H19 | 0.0° | 0.0° |
| H22 | C8 | C9 | H23 | 0.0° | 0.3° |
