WMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | doub | 1.22Å | 1.19Å | |
| C17 | C18 | sing | 1.53Å | 1.64Å | |
| C17 | C16 | sing | 1.53Å | 1.36Å | |
| C18 | C13 | sing | 1.53Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.65Å | |
| C08 | C07 | sing | 1.47Å | 1.55Å | |
| C08 | N10 | sing | 1.35Å | 1.48Å | |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C07 | C02 | sing | 1.47Å | 1.42Å | Aromatic |
| C07 | C05 | doub | 1.37Å | 1.37Å | Aromatic |
| C02 | N03 | doub | 1.30Å | 1.34Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C05 | O04 | sing | 1.33Å | 1.33Å | Aromatic |
| N03 | O04 | sing | 1.21Å | 1.38Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.59Å | |
| C15 | C14 | sing | 1.53Å | 1.44Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| N10 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C07 | 120.5° | 120.0° |
| O09 | C08 | N10 | 120.9° | 120.0° |
| C18 | C17 | C16 | 110.5° | 109.5° |
| C17 | C18 | C13 | 111.9° | 109.4° |
| C18 | C17 | H4 | 109.2° | 109.5° |
| C18 | C17 | H5 | 109.2° | 109.5° |
| C17 | C18 | H20 | 108.9° | 109.5° |
| C17 | C18 | H21 | 108.9° | 109.4° |
| C17 | C16 | C15 | 114.3° | 109.5° |
| C16 | C17 | H4 | 109.2° | 109.4° |
| C16 | C17 | H5 | 109.2° | 109.4° |
| C17 | C16 | H18 | 108.3° | 109.5° |
| C17 | C16 | H19 | 108.3° | 109.5° |
| C18 | C13 | C12 | 119.9° | 109.5° |
| C18 | C13 | C14 | 118.2° | 109.5° |
| C18 | C13 | H1 | 96.3° | 109.5° |
| C13 | C18 | H20 | 108.9° | 109.5° |
| C13 | C18 | H21 | 108.9° | 109.5° |
| C16 | C15 | C14 | 114.1° | 109.5° |
| C16 | C15 | H2 | 108.3° | 109.5° |
| C16 | C15 | H3 | 108.3° | 109.5° |
| C15 | C16 | H18 | 108.2° | 109.5° |
| C15 | C16 | H19 | 108.3° | 109.5° |
| C07 | C08 | N10 | 118.6° | 120.0° |
| C08 | C07 | C02 | 129.1° | 128.6° |
| C08 | C07 | C05 | 123.7° | 128.6° |
| C08 | N10 | C11 | 121.1° | 120.0° |
| C08 | N10 | H22 | 119.5° | 120.0° |
| C01 | C02 | C07 | 127.9° | 127.4° |
| C01 | C02 | N03 | 124.5° | 127.3° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.4° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C07 | C05 | 107.2° | 102.9° |
| C07 | C02 | N03 | 107.6° | 105.3° |
| C07 | C05 | C06 | 126.0° | 126.8° |
| C07 | C05 | O04 | 107.3° | 106.3° |
| C02 | N03 | O04 | 107.0° | 112.3° |
| C06 | C05 | O04 | 126.7° | 126.9° |
| C05 | C06 | H9 | 109.5° | 109.4° |
| C05 | C06 | H10 | 109.5° | 109.4° |
| C05 | C06 | H11 | 109.5° | 109.5° |
| C05 | O04 | N03 | 110.9° | 113.2° |
| N10 | C11 | C12 | 108.7° | 109.5° |
| N10 | C11 | H12 | 109.6° | 109.5° |
| N10 | C11 | H13 | 109.6° | 109.5° |
| C11 | N10 | H22 | 119.4° | 119.9° |
| C11 | C12 | C13 | 113.4° | 109.4° |
| C12 | C11 | H12 | 109.7° | 109.5° |
| C12 | C11 | H13 | 109.7° | 109.4° |
| C11 | C12 | H14 | 108.5° | 109.5° |
| C11 | C12 | H15 | 108.5° | 109.5° |
| C12 | C13 | C14 | 118.7° | 109.5° |
| C12 | C13 | H1 | 95.8° | 109.5° |
| C13 | C12 | H14 | 108.5° | 109.4° |
| C13 | C12 | H15 | 108.5° | 109.5° |
| C13 | C14 | C15 | 118.6° | 109.5° |
| C14 | C13 | H1 | 95.7° | 109.4° |
| C13 | C14 | H16 | 107.1° | 109.5° |
| C13 | C14 | H17 | 107.1° | 109.5° |
| C14 | C15 | H2 | 108.3° | 109.5° |
| C14 | C15 | H3 | 108.3° | 109.4° |
| C15 | C14 | H16 | 107.1° | 109.4° |
| C15 | C14 | H17 | 107.1° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H9 | C06 | H11 | 109.4° | 109.5° |
| H10 | C06 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C07 | N10 | 178.0° | 180.0° |
| O09 | C08 | C07 | C02 | 121.5° | 90.0° |
| O09 | C08 | C07 | C05 | 59.3° | 90.0° |
| O09 | C08 | N10 | C11 | 1.3° | 0.0° |
| O09 | C08 | N10 | H22 | 178.7° | 180.0° |
| C18 | C17 | C16 | H4 | 120.2° | 120.0° |
| C18 | C17 | C16 | H5 | 120.2° | 120.0° |
| C17 | C18 | C13 | H20 | 120.4° | 120.0° |
| C17 | C18 | C13 | H21 | 120.4° | 120.0° |
| C18 | C17 | C16 | C15 | 59.8° | 60.0° |
| C17 | C18 | C13 | C12 | 173.1° | 180.0° |
| C17 | C18 | C13 | C14 | 13.4° | 60.0° |
| C17 | C18 | C13 | H1 | 86.5° | 60.0° |
| C18 | C17 | H4 | H5 | 119.5° | 120.0° |
| C18 | C17 | C16 | H18 | 179.6° | 60.0° |
| C18 | C17 | C16 | H19 | 60.9° | 180.0° |
| C17 | C18 | H20 | H21 | 118.9° | 120.0° |
| C16 | C17 | C18 | C13 | 56.3° | 60.0° |
| C17 | C16 | C15 | H18 | 120.7° | 120.0° |
| C17 | C16 | C15 | H19 | 120.7° | 120.0° |
| C17 | C16 | C15 | C14 | 22.3° | 60.0° |
| C17 | C16 | C15 | H2 | 98.4° | 180.0° |
| C17 | C16 | C15 | H3 | 143.0° | 60.0° |
| C16 | C17 | H4 | H5 | 119.5° | 119.9° |
| C17 | C16 | H18 | H19 | 117.8° | 120.0° |
| C16 | C17 | C18 | H20 | 64.1° | 180.0° |
| C16 | C17 | C18 | H21 | 176.6° | 60.0° |
| C18 | C13 | C12 | C11 | 30.1° | 65.0° |
| C18 | C13 | C12 | C14 | 159.6° | 120.0° |
| C18 | C13 | C12 | H1 | 100.7° | 120.0° |
| C18 | C13 | C14 | H1 | 100.3° | 120.0° |
| C18 | C13 | C14 | C15 | 23.4° | 60.0° |
| C13 | C18 | C17 | H4 | 63.9° | 180.0° |
| C13 | C18 | C17 | H5 | 176.4° | 60.0° |
| C18 | C13 | C12 | H14 | 90.5° | 175.0° |
| C18 | C13 | C12 | H15 | 150.7° | 55.0° |
| C18 | C13 | C14 | H16 | 144.7° | 60.0° |
| C18 | C13 | C14 | H17 | 97.9° | 180.0° |
| C13 | C18 | H20 | H21 | 118.9° | 120.0° |
| C16 | C15 | C14 | C13 | 20.9° | 60.0° |
| C16 | C15 | C14 | H2 | 120.7° | 120.1° |
| C16 | C15 | C14 | H3 | 120.7° | 120.0° |
| C16 | C15 | H2 | H3 | 117.9° | 120.0° |
| C15 | C16 | C17 | H4 | 60.4° | 180.0° |
| C15 | C16 | C17 | H5 | 179.9° | 60.0° |
| C16 | C15 | C14 | H16 | 142.2° | 60.0° |
| C16 | C15 | C14 | H17 | 100.4° | 180.0° |
| C15 | C16 | H18 | H19 | 117.8° | 120.0° |
| C08 | C07 | C02 | C01 | 0.3° | 0.1° |
| C08 | C07 | C02 | C05 | 179.2° | 180.0° |
| C08 | C07 | C02 | N03 | 179.3° | 179.8° |
| C08 | C07 | C05 | C06 | 0.9° | 0.1° |
| C08 | C07 | C05 | O04 | 179.5° | 179.9° |
| C07 | C08 | N10 | C11 | 179.3° | 180.0° |
| C07 | C08 | N10 | H22 | 0.7° | 0.0° |
| N10 | C08 | C07 | C02 | 60.5° | 90.0° |
| N10 | C08 | C07 | C05 | 118.6° | 90.0° |
| C08 | N10 | C11 | H22 | 180.0° | 180.0° |
| C08 | N10 | C11 | C12 | 160.6° | 180.0° |
| C08 | N10 | C11 | H12 | 79.5° | 60.0° |
| C08 | N10 | C11 | H13 | 40.7° | 60.0° |
| C01 | C02 | C07 | N03 | 179.6° | 179.7° |
| C01 | C02 | C07 | C05 | 179.5° | 180.0° |
| C01 | C02 | N03 | O04 | 179.7° | 180.0° |
| C02 | C01 | H6 | H7 | 120.0° | 119.9° |
| C02 | C01 | H6 | H8 | 120.0° | 120.1° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C07 | C05 | C06 | 179.8° | 179.9° |
| C02 | C07 | C05 | O04 | 0.2° | 0.2° |
| C07 | C02 | N03 | O04 | 0.1° | 0.2° |
| C07 | C02 | C01 | H6 | 179.5° | 89.7° |
| C07 | C02 | C01 | H7 | 59.5° | 30.3° |
| C07 | C02 | C01 | H8 | 60.5° | 150.3° |
| C05 | C07 | C02 | N03 | 0.1° | 0.2° |
| C07 | C05 | C06 | O04 | 179.6° | 180.0° |
| C07 | C05 | O04 | N03 | 0.3° | 0.0° |
| C07 | C05 | C06 | H9 | 179.6° | 180.0° |
| C07 | C05 | C06 | H10 | 59.6° | 60.1° |
| C07 | C05 | C06 | H11 | 60.4° | 60.0° |
| C02 | N03 | O04 | C05 | 0.2° | 0.1° |
| N03 | C02 | C01 | H6 | 0.0° | 90.0° |
| N03 | C02 | C01 | H7 | 120.0° | 150.0° |
| N03 | C02 | C01 | H8 | 120.0° | 30.1° |
| C06 | C05 | O04 | N03 | 179.9° | 180.0° |
| C05 | C06 | H9 | H10 | 120.0° | 120.0° |
| C05 | C06 | H9 | H11 | 120.0° | 120.0° |
| C05 | C06 | H10 | H11 | 120.0° | 120.0° |
| O04 | C05 | C06 | H9 | 0.0° | 0.0° |
| O04 | C05 | C06 | H10 | 120.0° | 120.0° |
| O04 | C05 | C06 | H11 | 120.0° | 120.0° |
| N10 | C11 | C12 | H12 | 119.9° | 120.0° |
| N10 | C11 | C12 | H13 | 119.9° | 120.0° |
| N10 | C11 | C12 | C13 | 164.8° | 180.0° |
| N10 | C11 | H12 | H13 | 120.3° | 120.0° |
| N10 | C11 | C12 | H14 | 44.2° | 60.0° |
| N10 | C11 | C12 | H15 | 74.7° | 60.1° |
| C11 | C12 | C13 | H14 | 120.6° | 120.0° |
| C11 | C12 | C13 | H15 | 120.6° | 120.0° |
| C11 | C12 | C13 | C14 | 170.3° | 175.0° |
| C11 | C12 | C13 | H1 | 70.6° | 55.0° |
| C12 | C11 | H12 | H13 | 120.4° | 120.0° |
| C11 | C12 | H14 | H15 | 118.2° | 120.1° |
| C12 | C11 | N10 | H22 | 19.4° | 0.0° |
| C12 | C13 | C14 | H1 | 99.8° | 120.0° |
| C12 | C13 | C14 | C15 | 136.5° | 180.0° |
| C13 | C12 | C11 | H12 | 75.4° | 60.0° |
| C13 | C12 | C11 | H13 | 44.9° | 60.0° |
| C13 | C12 | H14 | H15 | 118.2° | 120.0° |
| C12 | C13 | C14 | H16 | 15.2° | 60.0° |
| C12 | C13 | C14 | H17 | 102.2° | 60.0° |
| C12 | C13 | C18 | H20 | 52.7° | 60.0° |
| C12 | C13 | C18 | H21 | 66.6° | 60.0° |
| C13 | C14 | C15 | H16 | 121.3° | 120.0° |
| C13 | C14 | C15 | H17 | 121.3° | 120.0° |
| C13 | C14 | C15 | H2 | 141.6° | 180.0° |
| C13 | C14 | C15 | H3 | 99.8° | 60.0° |
| C14 | C13 | C12 | H14 | 69.1° | 55.0° |
| C14 | C13 | C12 | H15 | 49.7° | 65.0° |
| C13 | C14 | H16 | H17 | 115.8° | 120.0° |
| C14 | C13 | C18 | H20 | 107.0° | 180.0° |
| C14 | C13 | C18 | H21 | 133.8° | 60.0° |
| C15 | C14 | C13 | H1 | 123.6° | 60.0° |
| C14 | C15 | H2 | H3 | 117.9° | 119.9° |
| C15 | C14 | H16 | H17 | 115.9° | 120.0° |
| C14 | C15 | C16 | H18 | 143.0° | 60.0° |
| C14 | C15 | C16 | H19 | 98.4° | 180.0° |
| H1 | C13 | C12 | H14 | 168.8° | 65.0° |
| H1 | C13 | C12 | H15 | 50.0° | 175.0° |
| H1 | C13 | C14 | H16 | 115.1° | 180.0° |
| H1 | C13 | C14 | H17 | 2.3° | 60.0° |
| H1 | C13 | C18 | H20 | 153.1° | 60.0° |
| H1 | C13 | C18 | H21 | 33.9° | 179.9° |
| H2 | C15 | C14 | H16 | 97.1° | 60.0° |
| H2 | C15 | C14 | H17 | 20.3° | 59.9° |
| H2 | C15 | C16 | H18 | 22.3° | 60.0° |
| H2 | C15 | C16 | H19 | 140.9° | 60.0° |
| H3 | C15 | C14 | H16 | 21.5° | 180.0° |
| H3 | C15 | C14 | H17 | 138.9° | 60.0° |
| H3 | C15 | C16 | H18 | 96.4° | NaN° |
| H3 | C15 | C16 | H19 | 22.3° | 60.0° |
| H4 | C17 | C16 | H18 | 60.3° | 60.0° |
| H4 | C17 | C16 | H19 | 178.9° | 60.0° |
| H4 | C17 | C18 | H20 | 175.7° | 60.0° |
| H4 | C17 | C18 | H21 | 56.5° | 60.0° |
| H5 | C17 | C16 | H18 | 59.4° | 180.0° |
| H5 | C17 | C16 | H19 | 59.2° | 60.0° |
| H5 | C17 | C18 | H20 | 56.1° | 60.0° |
| H5 | C17 | C18 | H21 | 63.2° | 180.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.1° |
| H9 | C06 | H10 | H11 | 120.0° | 120.1° |
| H12 | C11 | C12 | H14 | 164.0° | 180.0° |
| H12 | C11 | C12 | H15 | 45.2° | 60.0° |
| H12 | C11 | N10 | H22 | 100.5° | 120.0° |
| H13 | C11 | C12 | H14 | 75.7° | 60.0° |
| H13 | C11 | C12 | H15 | 165.4° | 180.0° |
| H13 | C11 | N10 | H22 | 139.3° | 120.0° |
