O0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | N | sing | 1.47Å | 1.50Å | |
| O | C10 | sing | 1.43Å | 1.38Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| N | C8 | sing | 1.47Å | 1.48Å | |
| N | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 112.0° | 109.3° |
| C11 | C12 | N | 112.8° | 109.5° |
| C12 | C11 | H15 | 108.9° | 109.5° |
| C12 | C11 | H16 | 108.8° | 109.5° |
| C11 | C12 | H17 | 108.6° | 109.5° |
| C11 | C12 | H18 | 108.6° | 109.4° |
| C11 | C10 | O | 112.9° | 109.6° |
| C11 | C10 | C9 | 109.2° | 109.2° |
| C11 | C10 | H7 | 106.8° | 109.5° |
| C10 | C11 | H15 | 108.9° | 109.5° |
| C10 | C11 | H16 | 108.9° | 109.5° |
| C12 | N | C8 | 111.0° | 111.2° |
| C12 | N | C7 | 110.2° | 111.0° |
| N | C12 | H17 | 108.6° | 109.5° |
| N | C12 | H18 | 108.7° | 109.5° |
| O | C10 | C9 | 112.4° | 109.5° |
| O | C10 | H7 | 108.6° | 109.5° |
| C10 | O | H13 | 109.5° | 114.0° |
| C10 | C9 | C8 | 114.8° | 109.3° |
| C9 | C10 | H7 | 106.7° | 109.6° |
| C10 | C9 | H23 | 108.1° | 109.5° |
| C10 | C9 | H24 | 108.1° | 109.6° |
| C9 | C8 | N | 110.6° | 109.5° |
| C9 | C8 | H5 | 109.2° | 109.5° |
| C9 | C8 | H6 | 109.2° | 109.5° |
| C8 | C9 | H23 | 108.1° | 109.5° |
| C8 | C9 | H24 | 108.1° | 109.5° |
| C8 | N | C7 | 108.3° | 111.0° |
| N | C8 | H5 | 109.2° | 109.5° |
| N | C8 | H6 | 109.2° | 109.5° |
| N | C7 | C6 | 111.7° | 109.5° |
| N | C7 | H3 | 108.9° | 109.5° |
| N | C7 | H4 | 108.9° | 109.5° |
| C7 | C6 | C13 | 119.5° | 120.0° |
| C7 | C6 | C5 | 121.5° | 120.0° |
| C6 | C7 | H3 | 108.9° | 109.5° |
| C6 | C7 | H4 | 108.9° | 109.5° |
| C13 | C6 | C5 | 118.8° | 120.0° |
| C6 | C13 | C14 | 120.7° | 120.0° |
| C6 | C13 | H8 | 119.7° | 120.0° |
| C6 | C5 | C4 | 120.4° | 120.0° |
| C6 | C5 | H2 | 119.8° | 120.0° |
| C13 | C14 | C3 | 121.3° | 120.0° |
| C14 | C13 | H8 | 119.6° | 120.0° |
| C13 | C14 | H19 | 119.4° | 120.0° |
| C5 | C4 | C3 | 120.3° | 119.9° |
| C5 | C4 | H1 | 119.8° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C14 | C3 | C4 | 118.4° | 120.0° |
| C14 | C3 | C1 | 119.7° | 120.0° |
| C3 | C14 | H19 | 119.4° | 120.0° |
| C4 | C3 | C1 | 121.8° | 120.0° |
| C3 | C4 | H1 | 119.8° | 120.0° |
| C3 | C1 | C | 111.3° | 109.4° |
| C3 | C1 | C2 | 112.4° | 109.5° |
| C3 | C1 | H14 | 107.6° | 109.5° |
| C | C1 | C2 | 110.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.4° | 109.5° |
| C | C1 | H14 | 107.3° | 109.5° |
| C2 | C1 | H14 | 107.5° | 109.5° |
| C1 | C2 | H20 | 109.5° | 109.4° |
| C1 | C2 | H21 | 109.4° | 109.4° |
| C1 | C2 | H22 | 109.5° | 109.4° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H10 | C | H11 | 109.4° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.4° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H20 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.4° | 109.5° |
| H23 | C9 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H15 | 120.4° | 119.9° |
| C12 | C11 | C10 | H16 | 120.4° | 120.0° |
| C11 | C12 | N | H17 | 120.5° | 120.0° |
| C11 | C12 | N | H18 | 120.5° | 120.0° |
| C12 | C11 | C10 | O | 168.2° | 62.3° |
| C12 | C11 | C10 | C9 | 42.5° | 57.6° |
| C11 | C12 | N | C8 | 62.6° | 61.8° |
| C11 | C12 | N | C7 | 177.5° | 174.1° |
| C12 | C11 | C10 | H7 | 72.5° | 177.6° |
| C12 | C11 | H15 | H16 | 118.8° | 120.1° |
| C11 | C12 | H17 | H18 | 118.5° | 119.9° |
| C10 | C11 | C12 | N | 13.6° | 59.2° |
| C11 | C10 | O | C9 | 124.0° | 119.7° |
| C11 | C10 | O | H7 | 118.2° | 120.1° |
| C11 | C10 | C9 | H7 | 115.1° | 119.9° |
| C11 | C10 | C9 | C8 | 57.3° | 57.6° |
| C11 | C10 | O | H13 | 180.0° | 60.3° |
| C10 | C11 | H15 | H16 | 118.9° | 120.1° |
| C10 | C11 | C12 | H17 | 134.1° | 60.9° |
| C10 | C11 | C12 | H18 | 106.9° | 179.2° |
| C11 | C10 | C9 | H23 | 63.5° | 62.3° |
| C11 | C10 | C9 | H24 | 178.1° | 177.6° |
| C12 | N | C8 | C9 | 47.9° | 61.7° |
| C12 | N | C8 | C7 | 121.1° | 124.1° |
| C12 | N | C7 | C6 | 159.0° | 65.8° |
| C12 | N | C7 | H3 | 38.6° | 174.2° |
| C12 | N | C7 | H4 | 80.7° | 54.2° |
| C12 | N | C8 | H5 | 72.3° | 178.2° |
| C12 | N | C8 | H6 | 168.1° | 58.2° |
| N | C12 | C11 | H15 | 134.0° | 60.8° |
| N | C12 | C11 | H16 | 106.8° | 179.1° |
| N | C12 | H17 | H18 | 118.5° | 120.0° |
| O | C10 | C9 | H7 | 118.9° | 120.2° |
| O | C10 | C9 | C8 | 176.7° | 62.3° |
| O | C10 | C11 | H15 | 47.8° | 177.8° |
| O | C10 | C11 | H16 | 71.4° | 57.7° |
| O | C10 | C9 | H23 | 62.5° | 177.7° |
| O | C10 | C9 | H24 | 55.9° | 57.7° |
| C10 | C9 | C8 | H23 | 120.8° | 119.9° |
| C10 | C9 | C8 | H24 | 120.8° | 120.0° |
| C10 | C9 | C8 | N | 10.8° | 59.1° |
| C10 | C9 | C8 | H5 | 130.9° | 179.2° |
| C10 | C9 | C8 | H6 | 109.4° | 60.8° |
| C9 | C10 | O | H13 | 56.1° | 180.0° |
| C9 | C10 | C11 | H15 | 77.9° | 62.3° |
| C9 | C10 | C11 | H16 | 162.9° | 177.6° |
| C10 | C9 | H23 | H24 | 117.5° | 120.1° |
| C9 | C8 | N | H5 | 120.1° | 120.1° |
| C9 | C8 | N | H6 | 120.2° | 120.0° |
| C9 | C8 | N | C7 | 169.0° | 174.2° |
| C9 | C8 | H5 | H6 | 119.5° | 120.0° |
| C8 | C9 | C10 | H7 | 57.8° | 177.5° |
| C8 | C9 | H23 | H24 | 117.6° | 120.1° |
| C8 | N | C7 | C6 | 79.5° | 170.0° |
| C8 | N | C7 | H3 | 160.2° | 50.0° |
| C8 | N | C7 | H4 | 40.9° | 70.0° |
| N | C8 | H5 | H6 | 119.5° | 120.0° |
| C8 | N | C12 | H17 | 177.0° | 58.3° |
| C8 | N | C12 | H18 | 57.9° | 178.2° |
| N | C8 | C9 | H23 | 110.0° | 60.8° |
| N | C8 | C9 | H24 | 131.6° | 179.2° |
| N | C7 | C6 | H3 | 120.4° | 120.0° |
| N | C7 | C6 | H4 | 120.3° | 120.0° |
| N | C7 | C6 | C13 | 76.3° | 90.0° |
| N | C7 | C6 | C5 | 108.4° | 89.9° |
| N | C7 | H3 | H4 | 118.9° | 119.9° |
| C7 | N | C8 | H5 | 48.8° | 54.1° |
| C7 | N | C8 | H6 | 70.9° | 65.8° |
| C7 | N | C12 | H17 | 57.0° | 65.8° |
| C7 | N | C12 | H18 | 62.0° | 54.1° |
| C7 | C6 | C13 | C5 | 175.5° | 179.9° |
| C7 | C6 | C13 | C14 | 173.6° | 180.0° |
| C7 | C6 | C5 | C4 | 173.3° | 180.0° |
| C7 | C6 | C5 | H2 | 6.7° | 0.1° |
| C6 | C7 | H3 | H4 | 119.0° | 120.0° |
| C7 | C6 | C13 | H8 | 6.4° | 0.0° |
| C6 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C6 | C5 | C4 | 2.1° | 0.1° |
| C6 | C13 | C14 | C3 | 0.3° | 0.1° |
| C13 | C6 | C5 | H2 | 177.9° | 180.0° |
| C13 | C6 | C7 | H3 | 44.1° | 150.0° |
| C13 | C6 | C7 | H4 | 163.4° | 30.1° |
| C6 | C13 | C14 | H19 | 179.7° | 180.0° |
| C5 | C6 | C13 | C14 | 1.8° | 0.1° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C5 | C4 | H1 | 179.8° | 179.7° |
| C5 | C6 | C7 | H3 | 131.2° | 30.1° |
| C5 | C6 | C7 | H4 | 11.9° | 150.0° |
| C5 | C6 | C13 | H8 | 178.1° | 179.9° |
| C13 | C14 | C3 | H19 | 180.0° | 179.9° |
| C13 | C14 | C3 | C4 | 2.1° | 0.1° |
| C13 | C14 | C3 | C1 | 174.1° | 179.7° |
| C5 | C4 | C3 | C14 | 1.9° | 0.1° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C1 | 174.3° | 179.7° |
| C14 | C3 | C4 | C1 | 176.2° | 179.6° |
| C14 | C3 | C1 | C | 125.8° | 60.3° |
| C14 | C3 | C1 | C2 | 109.7° | 59.7° |
| C14 | C3 | C4 | H1 | 178.1° | 179.7° |
| C3 | C14 | C13 | H8 | 179.7° | 179.9° |
| C14 | C3 | C1 | H14 | 8.5° | 179.7° |
| C4 | C3 | C1 | C | 50.4° | 120.1° |
| C4 | C3 | C1 | C2 | 74.2° | 119.9° |
| C3 | C4 | C5 | H2 | 179.8° | 180.0° |
| C4 | C3 | C1 | H14 | 167.7° | 0.1° |
| C4 | C3 | C14 | H19 | 177.8° | 180.0° |
| C3 | C1 | C | C2 | 125.6° | 120.0° |
| C3 | C1 | C | H14 | 117.5° | 120.0° |
| C3 | C1 | C2 | H14 | 118.2° | 120.0° |
| C1 | C3 | C4 | H1 | 5.7° | 0.1° |
| C3 | C1 | C | H10 | 180.0° | 180.0° |
| C3 | C1 | C | H11 | 60.0° | 60.0° |
| C3 | C1 | C | H12 | 60.0° | 60.0° |
| C1 | C3 | C14 | H19 | 5.9° | 0.4° |
| C3 | C1 | C2 | H20 | 180.0° | 60.0° |
| C3 | C1 | C2 | H21 | 60.0° | 180.0° |
| C3 | C1 | C2 | H22 | 60.0° | 60.0° |
| C | C1 | C2 | H14 | 116.8° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C | C1 | C2 | H20 | 55.1° | 180.0° |
| C | C1 | C2 | H21 | 65.0° | 60.0° |
| C | C1 | C2 | H22 | 175.1° | 60.0° |
| C2 | C1 | C | H10 | 54.4° | 60.0° |
| C2 | C1 | C | H11 | 174.4° | 180.0° |
| C2 | C1 | C | H12 | 65.6° | 60.0° |
| C1 | C2 | H20 | H21 | 120.0° | 119.9° |
| C1 | C2 | H20 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.2° | 0.2° |
| H5 | C8 | C9 | H23 | 10.2° | 59.3° |
| H5 | C8 | C9 | H24 | 108.3° | 60.8° |
| H6 | C8 | C9 | H23 | 129.9° | 179.2° |
| H6 | C8 | C9 | H24 | 11.4° | 59.2° |
| H7 | C10 | O | H13 | 61.8° | 59.8° |
| H7 | C10 | C11 | H15 | 167.1° | 57.6° |
| H7 | C10 | C11 | H16 | 47.8° | 62.5° |
| H7 | C10 | C9 | H23 | 178.6° | 57.6° |
| H7 | C10 | C9 | H24 | 63.0° | 62.5° |
| H8 | C13 | C14 | H19 | 0.3° | 0.0° |
| H10 | C | H11 | H12 | 120.0° | 120.1° |
| H10 | C | C1 | H14 | 62.5° | 60.0° |
| H11 | C | C1 | H14 | 57.5° | 60.0° |
| H12 | C | C1 | H14 | 177.5° | 179.9° |
| H14 | C1 | C2 | H20 | 61.7° | 60.0° |
| H14 | C1 | C2 | H21 | 178.2° | 60.0° |
| H14 | C1 | C2 | H22 | 58.3° | 180.0° |
| H15 | C11 | C12 | H17 | 105.5° | 179.2° |
| H15 | C11 | C12 | H18 | 13.5° | 59.3° |
| H16 | C11 | C12 | H17 | 13.7° | 59.1° |
| H16 | C11 | C12 | H18 | 132.7° | 60.8° |
| H20 | C2 | H21 | H22 | 120.0° | 120.1° |
