D0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F11 | C10 | sing | 1.35Å | 1.37Å | |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| F08 | C07 | sing | 1.35Å | 1.37Å | |
| C07 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.54Å | |
| O20 | C17 | doub | 1.21Å | 1.18Å | |
| C05 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | N16 | sing | 1.35Å | 1.46Å | |
| C18 | S19 | sing | 1.81Å | 1.83Å | |
| C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.45Å | |
| C15 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| S19 | H1 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C10 | C09 | 121.0° | 119.9° |
| F11 | C10 | C12 | 119.6° | 119.9° |
| C10 | C09 | C07 | 119.9° | 120.1° |
| C09 | C10 | C12 | 119.5° | 120.2° |
| C10 | C09 | H091 | 120.0° | 120.0° |
| C09 | C07 | F08 | 116.0° | 120.1° |
| C09 | C07 | C06 | 120.7° | 119.8° |
| C07 | C09 | H091 | 120.1° | 119.9° |
| C10 | C12 | C13 | 120.8° | 120.2° |
| C10 | C12 | H121 | 119.6° | 120.0° |
| F08 | C07 | C06 | 123.3° | 120.1° |
| C07 | C06 | C13 | 118.5° | 119.8° |
| C07 | C06 | C05 | 123.4° | 120.1° |
| C12 | C13 | C06 | 120.6° | 119.9° |
| C12 | C13 | H131 | 119.7° | 120.1° |
| C13 | C12 | H121 | 119.6° | 119.9° |
| C13 | C06 | C05 | 117.9° | 120.1° |
| C06 | C13 | H131 | 119.7° | 120.0° |
| C06 | C05 | C14 | 118.9° | 120.0° |
| C06 | C05 | C04 | 121.5° | 120.0° |
| O20 | C17 | C18 | 118.4° | 120.0° |
| O20 | C17 | N16 | 122.9° | 120.0° |
| C14 | C05 | C04 | 119.5° | 119.9° |
| C05 | C14 | C15 | 121.7° | 119.8° |
| C05 | C14 | H141 | 119.1° | 120.1° |
| C05 | C04 | C03 | 119.9° | 120.1° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C14 | C15 | N16 | 119.7° | 120.0° |
| C14 | C15 | C02 | 119.4° | 119.9° |
| C15 | C14 | H141 | 119.1° | 120.0° |
| C18 | C17 | N16 | 118.7° | 120.0° |
| C17 | C18 | S19 | 111.4° | 109.5° |
| C17 | C18 | H182 | 109.0° | 109.5° |
| C17 | C18 | H181 | 109.0° | 109.5° |
| C17 | N16 | C15 | 122.7° | 120.0° |
| C17 | N16 | H161 | 118.7° | 120.0° |
| S19 | C18 | H182 | 109.0° | 109.5° |
| S19 | C18 | H181 | 109.0° | 109.5° |
| C18 | S19 | H1 | 102.0° | 103.0° |
| C04 | C03 | C02 | 119.1° | 120.1° |
| C04 | C03 | H031 | 120.5° | 119.9° |
| C03 | C04 | H041 | 120.0° | 119.9° |
| N16 | C15 | C02 | 120.7° | 120.0° |
| C15 | N16 | H161 | 118.6° | 120.0° |
| C15 | C02 | C03 | 120.3° | 120.1° |
| C15 | C02 | O01 | 118.0° | 120.0° |
| C03 | C02 | O01 | 121.7° | 119.9° |
| C02 | C03 | H031 | 120.4° | 119.9° |
| C02 | O01 | H011 | 109.5° | 114.1° |
| H182 | C18 | H181 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C10 | C09 | C12 | 179.6° | 179.8° |
| F11 | C10 | C09 | C07 | 180.0° | 179.8° |
| F11 | C10 | C12 | C13 | 179.7° | 179.7° |
| F11 | C10 | C09 | H091 | 0.0° | 0.2° |
| F11 | C10 | C12 | H121 | 0.3° | 0.2° |
| C10 | C09 | C07 | H091 | 180.0° | 180.0° |
| C10 | C09 | C07 | F08 | 179.4° | 180.0° |
| C10 | C09 | C07 | C06 | 2.0° | 0.0° |
| C09 | C10 | C12 | C13 | 0.2° | 0.1° |
| C09 | C10 | C12 | H121 | 179.9° | 180.0° |
| C07 | C09 | C10 | C12 | 0.4° | 0.1° |
| C09 | C07 | F08 | C06 | 178.5° | 180.0° |
| C09 | C07 | C06 | C13 | 3.4° | 0.0° |
| C09 | C07 | C06 | C05 | 177.7° | 180.0° |
| C10 | C12 | C13 | H121 | 180.0° | 179.9° |
| C10 | C12 | C13 | C06 | 1.6° | 0.1° |
| C10 | C12 | C13 | H131 | 178.4° | 180.0° |
| C12 | C10 | C09 | H091 | 179.6° | 179.9° |
| F08 | C07 | C06 | C13 | 178.1° | 180.0° |
| F08 | C07 | C06 | C05 | 3.8° | 0.0° |
| F08 | C07 | C09 | H091 | 0.6° | 0.0° |
| C07 | C06 | C13 | C12 | 3.1° | 0.1° |
| C07 | C06 | C13 | C05 | 174.6° | 180.0° |
| C07 | C06 | C05 | C14 | 15.9° | 50.0° |
| C07 | C06 | C05 | C04 | 159.9° | 129.4° |
| C07 | C06 | C13 | H131 | 176.9° | 180.0° |
| C06 | C07 | C09 | H091 | 177.9° | 180.0° |
| C12 | C13 | C06 | H131 | 180.0° | 179.9° |
| C12 | C13 | C06 | C05 | 177.8° | 180.0° |
| C13 | C06 | C05 | C14 | 169.7° | 130.0° |
| C13 | C06 | C05 | C04 | 14.4° | 50.6° |
| C06 | C13 | C12 | H121 | 178.4° | 180.0° |
| C06 | C05 | C14 | C04 | 175.9° | 179.4° |
| C06 | C05 | C14 | C15 | 178.0° | 180.0° |
| C06 | C05 | C04 | C03 | 177.3° | 179.7° |
| C05 | C06 | C13 | H131 | 2.2° | 0.1° |
| C06 | C05 | C04 | H041 | 2.7° | 0.3° |
| C06 | C05 | C14 | H141 | 2.0° | 0.6° |
| O20 | C17 | C18 | N16 | 179.9° | 180.0° |
| O20 | C17 | C18 | S19 | 166.4° | 0.0° |
| O20 | C17 | N16 | C15 | 3.3° | 4.5° |
| O20 | C17 | C18 | H182 | 73.3° | 120.0° |
| O20 | C17 | C18 | H181 | 46.1° | 120.0° |
| O20 | C17 | N16 | H161 | 176.7° | 175.6° |
| C05 | C14 | C15 | H141 | 180.0° | 179.4° |
| C14 | C05 | C04 | C03 | 1.4° | 0.3° |
| C05 | C14 | C15 | N16 | 178.6° | 179.7° |
| C05 | C14 | C15 | C02 | 2.6° | 0.6° |
| C14 | C05 | C04 | H041 | 178.6° | 179.7° |
| C04 | C05 | C14 | C15 | 2.1° | 0.6° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 1.4° | 0.0° |
| C05 | C04 | C03 | H031 | 178.5° | 179.9° |
| C04 | C05 | C14 | H141 | 177.9° | 180.0° |
| C14 | C15 | N16 | C17 | 6.2° | 34.7° |
| C14 | C15 | N16 | C02 | 175.9° | 179.7° |
| C14 | C15 | C02 | C03 | 2.6° | 0.3° |
| C14 | C15 | C02 | O01 | 178.9° | 179.7° |
| C14 | C15 | N16 | H161 | 173.8° | 145.3° |
| C17 | C18 | S19 | H182 | 120.3° | 120.0° |
| C17 | C18 | S19 | H181 | 120.3° | 120.0° |
| C18 | C17 | N16 | C15 | 176.8° | 175.5° |
| C17 | C18 | H182 | H181 | 119.1° | 120.0° |
| C18 | C17 | N16 | H161 | 3.2° | 4.4° |
| C17 | C18 | S19 | H1 | 180.0° | 180.0° |
| N16 | C17 | C18 | S19 | 13.5° | 180.0° |
| C17 | N16 | C15 | H161 | 180.0° | 180.0° |
| C17 | N16 | C15 | C02 | 177.9° | 145.6° |
| N16 | C17 | C18 | H182 | 106.8° | 60.0° |
| N16 | C17 | C18 | H181 | 133.8° | 60.0° |
| S19 | C18 | H182 | H181 | 119.1° | 120.0° |
| C04 | C03 | C02 | C15 | 2.0° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 179.5° | 180.0° |
| N16 | C15 | C02 | C03 | 178.6° | 180.0° |
| N16 | C15 | C02 | O01 | 2.9° | 0.0° |
| N16 | C15 | C14 | H141 | 1.4° | 0.3° |
| C15 | C02 | C03 | O01 | 178.4° | 180.0° |
| C15 | C02 | C03 | H031 | 178.0° | 179.9° |
| C02 | C15 | C14 | H141 | 177.3° | 180.0° |
| C02 | C15 | N16 | H161 | 2.1° | 34.4° |
| C15 | C02 | O01 | H011 | 180.0° | 90.0° |
| C02 | C03 | C04 | H041 | 178.5° | 179.9° |
| C03 | C02 | O01 | H011 | 1.5° | 90.0° |
| O01 | C02 | C03 | H031 | 0.5° | 0.1° |
| H131 | C13 | C12 | H121 | 1.5° | 0.1° |
| H031 | C03 | C04 | H041 | 1.5° | 0.0° |
| H182 | C18 | S19 | H1 | 59.7° | 60.0° |
| H181 | C18 | S19 | H1 | 59.7° | 60.0° |
