E0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O18 | sing | 1.43Å | 1.39Å | |
| C17 | C15 | sing | 1.51Å | 1.54Å | |
| O18 | C04 | sing | 1.36Å | 1.36Å | |
| C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| O16 | C15 | doub | 1.21Å | 1.20Å | |
| C15 | N10 | sing | 1.35Å | 1.38Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | N10 | sing | 1.40Å | 1.43Å | |
| C05 | C06 | doub | 1.38Å | 1.43Å | Aromatic |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| C08 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | CL9 | sing | 1.74Å | 1.78Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.47Å | |
| O13 | C12 | doub | 1.21Å | 1.19Å | |
| C12 | O14 | sing | 1.34Å | 1.37Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C15 | 109.5° | 109.7° |
| C17 | O18 | C04 | 114.1° | 116.7° |
| O18 | C17 | H172 | 109.5° | 109.4° |
| O18 | C17 | H171 | 109.4° | 109.5° |
| C17 | C15 | O16 | 123.9° | 120.2° |
| C17 | C15 | N10 | 111.7° | 119.7° |
| C15 | C17 | H172 | 109.5° | 109.4° |
| C15 | C17 | H171 | 109.4° | 109.4° |
| O18 | C04 | C03 | 119.1° | 120.6° |
| O18 | C04 | C05 | 118.8° | 119.4° |
| C04 | C03 | C02 | 122.2° | 119.8° |
| C03 | C04 | C05 | 122.0° | 120.0° |
| C04 | C03 | H031 | 118.9° | 120.1° |
| C03 | C02 | C01 | 122.4° | 119.9° |
| C03 | C02 | C08 | 114.3° | 120.3° |
| C02 | C03 | H031 | 118.9° | 120.0° |
| C04 | C05 | N10 | 115.6° | 119.3° |
| C04 | C05 | C06 | 116.9° | 120.0° |
| O16 | C15 | N10 | 124.3° | 120.1° |
| C15 | N10 | C05 | 122.3° | 119.0° |
| C15 | N10 | C11 | 115.2° | 120.5° |
| C01 | C02 | C08 | 123.3° | 119.9° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C08 | C06 | 126.1° | 120.2° |
| C02 | C08 | CL9 | 117.3° | 119.9° |
| N10 | C05 | C06 | 127.3° | 120.7° |
| C05 | N10 | C11 | 121.4° | 120.5° |
| C05 | C06 | C08 | 118.5° | 119.8° |
| C05 | C06 | C07 | 122.6° | 120.1° |
| N10 | C11 | C12 | 119.9° | 109.5° |
| N10 | C11 | H111 | 106.8° | 109.5° |
| N10 | C11 | H112 | 106.8° | 109.5° |
| C06 | C08 | CL9 | 116.6° | 119.9° |
| C08 | C06 | C07 | 118.9° | 120.1° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C11 | C12 | O13 | 128.7° | 120.0° |
| C11 | C12 | O14 | 110.9° | 120.0° |
| C12 | C11 | H111 | 106.8° | 109.4° |
| C12 | C11 | H112 | 106.8° | 109.4° |
| O13 | C12 | O14 | 120.4° | 120.0° |
| C12 | O14 | H1 | 109.5° | 117.0° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| H013 | C01 | H011 | 109.4° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C15 | H172 | 120.0° | 120.0° |
| O18 | C17 | C15 | H171 | 120.0° | 120.1° |
| C17 | O18 | C04 | C03 | 141.4° | 147.2° |
| C17 | O18 | C04 | C05 | 35.5° | 32.7° |
| O18 | C17 | C15 | O16 | 134.2° | 148.4° |
| O18 | C17 | C15 | N10 | 44.2° | 31.3° |
| O18 | C17 | H172 | H171 | 120.0° | 120.0° |
| C15 | C17 | O18 | C04 | 60.6° | 46.3° |
| C17 | C15 | O16 | N10 | 178.2° | 179.7° |
| C17 | C15 | N10 | C05 | 4.4° | 1.7° |
| C17 | C15 | N10 | C11 | 172.7° | 178.3° |
| C15 | C17 | H172 | H171 | 120.0° | 119.8° |
| O18 | C04 | C03 | C05 | 176.8° | 179.9° |
| O18 | C04 | C03 | C02 | 178.9° | 179.9° |
| O18 | C04 | C05 | N10 | 6.4° | 0.2° |
| O18 | C04 | C05 | C06 | 179.5° | 179.9° |
| C04 | O18 | C17 | H172 | 179.4° | 73.7° |
| C04 | O18 | C17 | H171 | 59.4° | 166.4° |
| O18 | C04 | C03 | H031 | 1.1° | 0.2° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 179.1° | 180.0° |
| C04 | C03 | C02 | C08 | 0.7° | 0.1° |
| C03 | C04 | C05 | N10 | 176.8° | 180.0° |
| C03 | C04 | C05 | C06 | 2.7° | 0.0° |
| C02 | C03 | C04 | C05 | 2.1° | 0.1° |
| C03 | C02 | C01 | C08 | 179.8° | 179.9° |
| C03 | C02 | C08 | C06 | 0.1° | 0.0° |
| C03 | C02 | C08 | CL9 | 180.0° | 179.9° |
| C03 | C02 | C01 | H013 | 89.9° | 89.9° |
| C03 | C02 | C01 | H012 | 150.1° | 30.0° |
| C03 | C02 | C01 | H011 | 30.1° | 150.1° |
| C04 | C05 | N10 | C15 | 21.3° | 15.5° |
| C04 | C05 | N10 | C06 | 173.4° | 179.9° |
| C04 | C05 | N10 | C11 | 146.3° | 164.5° |
| C04 | C05 | C06 | C08 | 1.9° | 0.0° |
| C04 | C05 | C06 | C07 | 179.2° | 180.0° |
| C05 | C04 | C03 | H031 | 177.9° | 179.9° |
| O16 | C15 | N10 | C05 | 174.0° | 178.0° |
| O16 | C15 | N10 | C11 | 5.7° | 2.0° |
| O16 | C15 | C17 | H172 | 14.2° | 91.6° |
| O16 | C15 | C17 | H171 | 105.8° | 28.3° |
| C15 | N10 | C05 | C11 | 167.6° | 180.0° |
| C15 | N10 | C05 | C06 | 165.3° | 164.6° |
| C15 | N10 | C11 | C12 | 71.6° | 107.9° |
| N10 | C15 | C17 | H172 | 164.2° | 88.7° |
| N10 | C15 | C17 | H171 | 75.8° | 151.4° |
| C15 | N10 | C11 | H111 | 166.9° | 132.2° |
| C15 | N10 | C11 | H112 | 49.9° | 12.1° |
| C01 | C02 | C08 | C06 | 179.8° | 180.0° |
| C01 | C02 | C08 | CL9 | 0.2° | 0.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C01 | C02 | C03 | H031 | 0.9° | 0.1° |
| C02 | C08 | C06 | C05 | 0.6° | 0.0° |
| C02 | C08 | C06 | CL9 | 180.0° | 180.0° |
| C02 | C08 | C06 | C07 | 179.5° | 180.0° |
| C08 | C02 | C01 | H013 | 89.9° | 90.0° |
| C08 | C02 | C01 | H012 | 30.1° | 150.0° |
| C08 | C02 | C01 | H011 | 150.1° | 30.0° |
| C08 | C02 | C03 | H031 | 179.3° | 179.9° |
| N10 | C05 | C06 | C08 | 175.3° | 179.9° |
| N10 | C05 | C06 | C07 | 5.9° | 0.1° |
| C05 | N10 | C11 | C12 | 120.0° | 72.1° |
| C05 | N10 | C11 | H111 | 1.5° | 47.8° |
| C05 | N10 | C11 | H112 | 118.5° | 167.9° |
| C06 | C05 | N10 | C11 | 27.1° | 15.4° |
| C05 | C06 | C08 | C07 | 178.9° | 180.0° |
| C05 | C06 | C08 | CL9 | 179.3° | 180.0° |
| C05 | C06 | C07 | H072 | 89.4° | 66.8° |
| C05 | C06 | C07 | H071 | 150.6° | 173.3° |
| C05 | C06 | C07 | H073 | 30.6° | 53.3° |
| N10 | C11 | C12 | H111 | 121.5° | 120.0° |
| N10 | C11 | C12 | H112 | 121.5° | 120.0° |
| N10 | C11 | C12 | O13 | 11.7° | 0.0° |
| N10 | C11 | C12 | O14 | 170.1° | 180.0° |
| N10 | C11 | H111 | H112 | 115.3° | 120.1° |
| C08 | C06 | C07 | H072 | 89.5° | 113.2° |
| C08 | C06 | C07 | H071 | 30.5° | 6.7° |
| C08 | C06 | C07 | H073 | 150.5° | 126.7° |
| CL9 | C08 | C06 | C07 | 0.5° | 0.0° |
| C06 | C07 | H072 | H071 | 120.0° | 120.0° |
| C06 | C07 | H072 | H073 | 120.0° | 120.1° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C11 | C12 | O13 | O14 | 178.0° | 179.9° |
| C12 | C11 | H111 | H112 | 115.2° | 120.0° |
| C11 | C12 | O14 | H1 | 178.4° | 180.0° |
| O13 | C12 | C11 | H111 | 109.8° | 120.0° |
| O13 | C12 | C11 | H112 | 133.2° | 120.0° |
| O13 | C12 | O14 | H1 | 0.0° | 0.0° |
| O14 | C12 | C11 | H111 | 68.4° | 60.1° |
| O14 | C12 | C11 | H112 | 48.6° | 60.0° |
| H013 | C01 | H012 | H011 | 120.0° | 119.9° |
| H072 | C07 | H071 | H073 | 120.0° | 120.0° |
