D9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C13 | sing | 1.43Å | 1.42Å | |
| O3 | C14 | sing | 1.43Å | 1.42Å | |
| O2 | C11 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| N2 | C12 | sing | 1.47Å | 1.50Å | |
| N2 | C15 | sing | 1.47Å | 1.50Å | |
| N2 | C10 | sing | 1.47Å | 1.53Å | |
| N | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C5 | N1 | sing | 1.47Å | 1.50Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C11 | C6 | sing | 1.53Å | 1.59Å | |
| C10 | C9 | sing | 1.54Å | 1.56Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.47Å | 1.50Å | |
| C6 | C7 | sing | 1.54Å | 1.56Å | |
| C9 | O | sing | 1.44Å | 1.41Å | |
| C9 | O1 | sing | 1.44Å | 1.41Å | |
| O | C8 | sing | 1.44Å | 1.43Å | |
| C7 | O1 | sing | 1.45Å | 1.44Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| C | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| C1 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O3 | C14 | 110.4° | 113.8° |
| O3 | C13 | C12 | 111.5° | 109.3° |
| O3 | C13 | H15 | 109.0° | 109.5° |
| O3 | C13 | H16 | 109.0° | 109.5° |
| O3 | C14 | C15 | 111.2° | 109.2° |
| O3 | C14 | H17 | 109.0° | 109.6° |
| O3 | C14 | H18 | 109.0° | 109.5° |
| O2 | C11 | C10 | 106.1° | 109.5° |
| O2 | C11 | C6 | 108.4° | 109.5° |
| O2 | C11 | H12 | 111.6° | 109.6° |
| C11 | O2 | H21 | 109.5° | 114.0° |
| C13 | C12 | N2 | 110.0° | 109.2° |
| C13 | C12 | H13 | 109.3° | 109.5° |
| C13 | C12 | H14 | 109.3° | 109.6° |
| C12 | C13 | H15 | 109.0° | 109.5° |
| C12 | C13 | H16 | 108.9° | 109.5° |
| C | C1 | N | 123.5° | 120.8° |
| C1 | C | C4 | 119.2° | 119.1° |
| C1 | C | H22 | 120.4° | 120.4° |
| C | C1 | H25 | 118.2° | 119.6° |
| C1 | N | C2 | 116.7° | 121.7° |
| N | C1 | H25 | 118.2° | 119.6° |
| C | C4 | C5 | 121.1° | 120.8° |
| C | C4 | C3 | 117.8° | 118.4° |
| C4 | C | H22 | 120.4° | 120.4° |
| C14 | C15 | N2 | 109.8° | 109.3° |
| C15 | C14 | H17 | 109.0° | 109.5° |
| C15 | C14 | H18 | 109.0° | 109.5° |
| C14 | C15 | H19 | 109.4° | 109.5° |
| C14 | C15 | H20 | 109.4° | 109.5° |
| C12 | N2 | C15 | 109.8° | 110.8° |
| C12 | N2 | C10 | 113.1° | 111.0° |
| N2 | C12 | H13 | 109.4° | 109.5° |
| N2 | C12 | H14 | 109.4° | 109.5° |
| C15 | N2 | C10 | 112.6° | 111.0° |
| N2 | C15 | H19 | 109.4° | 109.5° |
| N2 | C15 | H20 | 109.4° | 109.4° |
| N2 | C10 | C11 | 112.9° | 109.6° |
| N2 | C10 | C9 | 110.3° | 109.6° |
| N2 | C10 | H11 | 108.4° | 109.6° |
| N | C2 | C3 | 123.6° | 120.7° |
| N | C2 | H24 | 118.2° | 119.6° |
| C4 | C5 | N1 | 113.6° | 109.5° |
| C5 | C4 | C3 | 121.0° | 120.8° |
| C4 | C5 | H1 | 108.4° | 109.5° |
| C4 | C5 | H2 | 108.4° | 109.5° |
| C5 | N1 | C6 | 113.0° | 111.0° |
| N1 | C5 | H1 | 108.4° | 109.5° |
| N1 | C5 | H2 | 108.4° | 109.5° |
| C5 | N1 | H4 | 108.6° | 111.0° |
| C4 | C3 | C2 | 119.1° | 119.2° |
| C4 | C3 | H23 | 120.4° | 120.4° |
| C10 | C11 | C6 | 111.9° | 109.3° |
| C11 | C10 | C9 | 109.2° | 108.8° |
| C11 | C10 | H11 | 107.9° | 109.7° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C11 | C6 | N1 | 110.9° | 109.6° |
| C11 | C6 | C7 | 109.7° | 108.5° |
| C11 | C6 | H3 | 107.4° | 109.8° |
| C6 | C11 | H12 | 109.3° | 109.5° |
| C10 | C9 | O | 111.2° | 108.2° |
| C10 | C9 | O1 | 109.6° | 107.5° |
| C10 | C9 | H10 | 108.8° | 112.1° |
| C9 | C10 | H11 | 108.0° | 109.6° |
| C2 | C3 | H23 | 120.4° | 120.4° |
| C3 | C2 | H24 | 118.2° | 119.6° |
| N1 | C6 | C7 | 112.3° | 109.6° |
| N1 | C6 | H3 | 108.6° | 109.7° |
| C6 | N1 | H4 | 108.6° | 111.0° |
| C6 | C7 | O1 | 108.5° | 107.1° |
| C6 | C7 | C8 | 112.6° | 107.7° |
| C7 | C6 | H3 | 107.8° | 109.6° |
| C6 | C7 | H6 | 110.8° | 112.6° |
| O | C9 | O1 | 105.8° | 105.9° |
| C9 | O | C8 | 106.7° | 107.0° |
| O | C9 | H10 | 110.7° | 111.4° |
| C9 | O1 | C7 | 102.7° | 102.7° |
| O1 | C9 | H10 | 110.8° | 111.4° |
| O | C8 | C7 | 104.7° | 104.9° |
| O | C8 | H7 | 110.7° | 110.4° |
| O | C8 | H8 | 110.6° | 110.5° |
| O1 | C7 | C8 | 100.8° | 102.6° |
| O1 | C7 | H6 | 112.4° | 112.7° |
| C8 | C7 | H6 | 111.3° | 113.4° |
| C7 | C8 | H7 | 110.6° | 110.3° |
| C7 | C8 | H8 | 110.6° | 110.4° |
| H1 | C5 | H2 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 110.3° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.6° |
| H19 | C15 | H20 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C13 | C12 | H15 | 120.3° | 120.0° |
| O3 | C13 | C12 | H16 | 120.3° | 119.9° |
| C13 | O3 | C14 | C15 | 66.9° | 58.7° |
| O3 | C13 | C12 | N2 | 9.5° | 56.8° |
| O3 | C13 | C12 | H13 | 129.6° | 63.1° |
| O3 | C13 | C12 | H14 | 110.6° | 176.8° |
| O3 | C13 | H15 | H16 | 119.1° | 120.1° |
| C13 | O3 | C14 | H17 | 53.4° | 178.6° |
| C13 | O3 | C14 | H18 | 172.8° | 61.2° |
| C14 | O3 | C13 | C12 | 53.0° | 58.7° |
| O3 | C14 | C15 | H17 | 120.3° | 120.0° |
| O3 | C14 | C15 | H18 | 120.3° | 119.9° |
| O3 | C14 | C15 | N2 | 14.3° | 56.8° |
| C14 | O3 | C13 | H15 | 173.3° | 61.3° |
| C14 | O3 | C13 | H16 | 67.3° | 178.6° |
| O3 | C14 | H17 | H18 | 119.2° | 120.2° |
| O3 | C14 | C15 | H19 | 134.3° | 176.7° |
| O3 | C14 | C15 | H20 | 105.8° | 63.1° |
| O2 | C11 | C10 | N2 | 78.1° | 171.8° |
| O2 | C11 | C10 | C6 | 118.1° | 119.9° |
| O2 | C11 | C10 | H12 | 120.6° | 120.2° |
| O2 | C11 | C6 | H12 | 121.8° | 120.1° |
| O2 | C11 | C10 | C9 | 158.8° | 68.3° |
| O2 | C11 | C6 | N1 | 77.7° | 172.4° |
| O2 | C11 | C6 | C7 | 157.7° | 67.9° |
| O2 | C11 | C6 | H3 | 40.7° | 51.8° |
| O2 | C11 | C10 | H11 | 41.7° | 51.5° |
| C13 | C12 | N2 | H13 | 120.1° | 119.9° |
| C13 | C12 | N2 | H14 | 120.0° | 120.0° |
| C13 | C12 | N2 | C15 | 59.2° | 58.6° |
| C13 | C12 | N2 | C10 | 174.2° | 177.6° |
| C13 | C12 | H13 | H14 | 119.7° | 120.2° |
| C12 | C13 | H15 | H16 | 119.1° | 120.1° |
| C | C1 | N | H25 | 180.0° | 179.4° |
| C1 | C | C4 | H22 | 180.0° | 179.9° |
| C | C1 | N | C2 | 0.3° | 0.8° |
| C1 | C | C4 | C5 | 176.5° | 179.7° |
| C1 | C | C4 | C3 | 0.6° | 0.1° |
| N | C1 | C | C4 | 0.2° | 0.6° |
| C1 | N | C2 | C3 | 0.4° | 0.5° |
| N | C1 | C | H22 | 179.8° | 179.5° |
| C1 | N | C2 | H24 | 179.7° | 179.5° |
| C | C4 | C5 | C3 | 177.0° | 179.7° |
| C | C4 | C5 | N1 | 99.3° | 89.8° |
| C | C4 | C3 | C2 | 0.6° | 0.2° |
| C | C4 | C5 | H1 | 140.1° | 30.3° |
| C | C4 | C5 | H2 | 21.3° | 150.3° |
| C | C4 | C3 | H23 | 179.4° | 179.8° |
| C4 | C | C1 | H25 | 179.8° | 180.0° |
| C14 | C15 | N2 | C12 | 46.2° | 58.6° |
| C14 | C15 | N2 | H19 | 120.1° | 120.0° |
| C14 | C15 | N2 | H20 | 120.1° | 119.9° |
| C14 | C15 | N2 | C10 | 173.1° | 177.6° |
| C15 | C14 | H17 | H18 | 119.2° | 120.1° |
| C14 | C15 | H19 | H20 | 119.8° | 120.2° |
| C12 | N2 | C15 | C10 | 126.9° | 123.8° |
| C12 | N2 | C10 | C11 | 173.3° | 66.8° |
| C12 | N2 | C10 | C9 | 64.2° | 173.8° |
| C12 | N2 | C10 | H11 | 53.8° | 53.5° |
| N2 | C12 | H13 | H14 | 119.8° | 120.1° |
| N2 | C12 | C13 | H15 | 110.8° | 63.2° |
| N2 | C12 | C13 | H16 | 129.8° | 176.7° |
| C12 | N2 | C15 | H19 | 73.9° | 178.6° |
| C12 | N2 | C15 | H20 | 166.3° | 61.3° |
| C15 | N2 | C10 | C11 | 61.5° | 169.5° |
| C15 | N2 | C10 | C9 | 60.9° | 50.1° |
| C15 | N2 | C10 | H11 | 179.0° | 70.1° |
| C15 | N2 | C12 | H13 | 179.3° | 61.3° |
| C15 | N2 | C12 | H14 | 60.8° | 178.6° |
| N2 | C15 | C14 | H17 | 106.0° | 176.8° |
| N2 | C15 | C14 | H18 | 134.5° | 63.1° |
| N2 | C15 | H19 | H20 | 119.8° | 120.0° |
| N2 | C10 | C11 | C9 | 123.1° | 119.8° |
| N2 | C10 | C11 | H11 | 119.7° | 120.3° |
| N2 | C10 | C11 | C6 | 163.9° | 68.2° |
| N2 | C10 | C9 | H11 | 118.3° | 120.3° |
| N2 | C10 | C9 | O | 135.5° | 169.9° |
| N2 | C10 | C9 | O1 | 107.9° | 55.9° |
| N2 | C10 | C9 | H10 | 13.3° | 66.9° |
| N2 | C10 | C11 | H12 | 42.5° | 51.7° |
| C10 | N2 | C12 | H13 | 54.1° | 62.5° |
| C10 | N2 | C12 | H14 | 65.8° | 57.6° |
| C10 | N2 | C15 | H19 | 53.0° | 57.6° |
| C10 | N2 | C15 | H20 | 66.8° | 62.4° |
| N | C2 | C3 | C4 | 0.1° | 0.0° |
| N | C2 | C3 | H24 | 180.0° | 180.0° |
| N | C2 | C3 | H23 | 179.9° | 180.0° |
| C2 | N | C1 | H25 | 179.7° | 179.8° |
| C4 | C5 | N1 | H1 | 120.6° | 120.0° |
| C4 | C5 | N1 | H2 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 176.5° | 180.0° |
| C4 | C5 | N1 | C6 | 177.0° | 180.0° |
| C4 | C5 | H1 | H2 | 118.1° | 120.0° |
| C4 | C5 | N1 | H4 | 62.5° | 56.0° |
| C5 | C4 | C | H22 | 3.6° | 0.3° |
| C5 | C4 | C3 | H23 | 3.5° | 0.0° |
| N1 | C5 | C4 | C3 | 83.7° | 90.0° |
| C5 | N1 | C6 | C11 | 74.0° | 158.1° |
| C5 | N1 | C6 | H4 | 120.5° | 124.0° |
| C5 | N1 | C6 | C7 | 162.9° | 82.9° |
| N1 | C5 | H1 | H2 | 118.2° | 120.0° |
| C5 | N1 | C6 | H3 | 43.7° | 37.5° |
| C4 | C3 | C2 | H23 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 36.9° | 150.0° |
| C3 | C4 | C5 | H2 | 155.7° | 30.0° |
| C3 | C4 | C | H22 | 179.4° | 180.0° |
| C4 | C3 | C2 | H24 | 179.9° | 180.0° |
| C10 | C11 | C6 | H12 | 121.5° | 119.9° |
| C11 | C10 | C9 | H11 | 117.0° | 119.9° |
| C10 | C11 | C6 | N1 | 165.6° | 67.7° |
| C10 | C11 | C6 | C7 | 41.0° | 52.0° |
| C11 | C10 | C9 | O | 99.9° | 50.0° |
| C11 | C10 | C9 | O1 | 16.7° | 63.9° |
| C10 | C11 | C6 | H3 | 75.9° | 171.8° |
| C11 | C10 | C9 | H10 | 138.0° | 173.3° |
| C10 | C11 | O2 | H21 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 40.8° | 51.6° |
| C11 | C6 | N1 | C7 | 123.1° | 119.0° |
| C11 | C6 | N1 | H3 | 117.8° | 120.6° |
| C11 | C6 | C7 | H3 | 116.7° | 119.9° |
| C11 | C6 | C7 | O1 | 15.7° | 64.8° |
| C11 | C6 | C7 | C8 | 95.0° | 45.0° |
| C11 | C6 | N1 | H4 | 46.5° | 34.1° |
| C11 | C6 | C7 | H6 | 139.5° | 170.7° |
| C6 | C11 | C10 | H11 | 76.4° | 171.4° |
| C6 | C11 | O2 | H21 | 59.6° | 60.3° |
| C10 | C9 | O | O1 | 119.0° | 115.1° |
| C10 | C9 | O | H10 | 121.0° | 123.6° |
| C10 | C9 | O1 | H10 | 120.0° | 123.2° |
| C10 | C9 | O | C8 | 94.8° | 89.0° |
| C10 | C9 | O1 | C7 | 77.7° | 74.7° |
| C9 | C10 | C11 | H12 | 80.6° | 171.5° |
| N1 | C6 | C7 | H3 | 119.5° | 120.4° |
| N1 | C6 | C7 | O1 | 108.1° | 54.9° |
| N1 | C6 | C7 | C8 | 141.2° | 164.7° |
| C6 | N1 | C5 | H1 | 56.4° | 60.0° |
| C6 | N1 | C5 | H2 | 62.5° | 60.0° |
| N1 | C6 | C7 | H6 | 15.8° | 69.5° |
| N1 | C6 | C11 | H12 | 44.1° | 52.2° |
| C6 | C7 | O1 | C9 | 76.6° | 75.2° |
| C6 | C7 | C8 | O | 88.1° | 90.1° |
| C6 | C7 | O1 | C8 | 118.5° | 113.3° |
| C6 | C7 | O1 | H6 | 122.9° | 124.4° |
| C6 | C7 | C8 | H6 | 125.1° | 125.2° |
| C7 | C6 | N1 | H4 | 76.6° | 153.2° |
| C6 | C7 | C8 | H7 | 31.1° | 151.0° |
| C6 | C7 | C8 | H8 | 152.7° | 28.9° |
| C7 | C6 | C11 | H12 | 80.5° | 171.9° |
| O | C9 | O1 | H10 | 120.0° | 121.3° |
| O | C9 | O1 | C7 | 42.3° | 40.8° |
| C9 | O | C8 | C7 | 2.6° | 1.7° |
| C9 | O | C8 | H7 | 121.8° | 120.5° |
| C9 | O | C8 | H8 | 116.6° | 117.3° |
| O | C9 | C10 | H11 | 17.1° | 69.9° |
| O1 | C9 | O | C8 | 24.2° | 26.1° |
| C9 | O1 | C7 | C8 | 41.9° | 38.1° |
| C9 | O1 | C7 | H6 | 160.5° | 160.5° |
| O1 | C9 | C10 | H11 | 133.8° | 176.1° |
| O | C8 | C7 | O1 | 27.3° | 22.8° |
| O | C8 | C7 | H7 | 119.2° | 118.9° |
| O | C8 | C7 | H8 | 119.2° | 119.0° |
| O | C8 | C7 | H6 | 146.8° | 144.7° |
| O | C8 | H7 | H8 | 122.2° | 122.3° |
| C8 | O | C9 | H10 | 144.2° | 147.4° |
| O1 | C7 | C8 | H6 | 119.5° | 121.9° |
| O1 | C7 | C6 | H3 | 132.4° | 175.3° |
| O1 | C7 | C8 | H7 | 146.6° | 96.1° |
| O1 | C7 | C8 | H8 | 91.9° | 141.8° |
| C7 | O1 | C9 | H10 | 162.3° | 162.1° |
| C8 | C7 | C6 | H3 | 21.6° | 74.9° |
| C7 | C8 | H7 | H8 | 122.2° | 122.2° |
| H1 | C5 | N1 | H4 | 176.9° | 176.1° |
| H2 | C5 | N1 | H4 | 58.1° | 64.0° |
| H3 | C6 | N1 | H4 | 164.3° | 86.5° |
| H3 | C6 | C7 | H6 | 103.8° | 50.9° |
| H3 | C6 | C11 | H12 | 162.5° | 68.3° |
| H6 | C7 | C8 | H7 | 94.0° | 25.8° |
| H6 | C7 | C8 | H8 | 27.6° | 96.3° |
| H10 | C9 | C10 | H11 | 105.0° | 53.3° |
| H11 | C10 | C11 | H12 | 162.2° | 68.7° |
| H12 | C11 | O2 | H21 | 60.8° | 59.8° |
| H13 | C12 | C13 | H15 | 9.3° | 176.9° |
| H13 | C12 | C13 | H16 | 110.1° | 56.8° |
| H14 | C12 | C13 | H15 | 129.1° | 56.8° |
| H14 | C12 | C13 | H16 | 9.7° | 63.3° |
| H17 | C14 | C15 | H19 | 14.1° | 63.3° |
| H17 | C14 | C15 | H20 | 133.9° | 56.9° |
| H18 | C14 | C15 | H19 | 105.4° | 56.9° |
| H18 | C14 | C15 | H20 | 14.5° | 177.0° |
| H22 | C | C1 | H25 | 0.2° | 0.1° |
| H23 | C3 | C2 | H24 | 0.1° | 0.0° |
