J6V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | N24 | doub | 1.22Å | 1.40Å | |
| O07 | C03 | sing | 1.36Å | 1.40Å | |
| N24 | O25 | doub | 1.22Å | 1.18Å | |
| N24 | C02 | sing | 1.48Å | 1.46Å | |
| C03 | C02 | doub | 1.38Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | N08 | sing | 1.40Å | 1.43Å | |
| C04 | C05 | doub | 1.39Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| N10 | C12 | sing | 1.40Å | 1.46Å | |
| N10 | C09 | sing | 1.35Å | 1.45Å | |
| N08 | C09 | sing | 1.35Å | 1.42Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | O11 | doub | 1.22Å | 1.18Å | |
| C15 | F19 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | sing | 1.38Å | 1.33Å | Aromatic |
| C06 | S20 | sing | 1.76Å | 1.78Å | |
| S20 | N23 | sing | 1.66Å | 1.69Å | |
| S20 | O22 | doub | 1.42Å | 1.46Å | |
| S20 | O21 | doub | 1.42Å | 1.46Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| O07 | H5 | sing | 0.97Å | 0.95Å | |
| N08 | H6 | sing | 0.97Å | 1.00Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| N23 | H12 | sing | 0.97Å | 1.00Å | |
| N23 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | N24 | O25 | 119.4° | 120.0° |
| O26 | N24 | C02 | 120.6° | 119.9° |
| O07 | C03 | C02 | 121.0° | 120.1° |
| O07 | C03 | C04 | 121.6° | 120.0° |
| C03 | O07 | H5 | 109.5° | 114.0° |
| O25 | N24 | C02 | 119.8° | 120.0° |
| N24 | C02 | C03 | 125.8° | 120.1° |
| N24 | C02 | C01 | 114.1° | 119.9° |
| C02 | C03 | C04 | 117.4° | 119.9° |
| C03 | C02 | C01 | 120.1° | 120.0° |
| C03 | C04 | N08 | 138.9° | 120.2° |
| C03 | C04 | C05 | 121.0° | 119.8° |
| C02 | C01 | C06 | 117.8° | 120.1° |
| C02 | C01 | H3 | 121.1° | 119.9° |
| N08 | C04 | C05 | 99.5° | 120.0° |
| C04 | N08 | C09 | 144.9° | 120.0° |
| C04 | N08 | H6 | 107.5° | 120.0° |
| C04 | C05 | C06 | 120.6° | 120.0° |
| C04 | C05 | H4 | 119.7° | 120.0° |
| C14 | C13 | C12 | 122.0° | 120.0° |
| C13 | C14 | C15 | 118.5° | 120.0° |
| C14 | C13 | H1 | 119.0° | 120.0° |
| C13 | C14 | H8 | 120.8° | 120.0° |
| C13 | C12 | N10 | 118.7° | 120.1° |
| C13 | C12 | C17 | 119.4° | 119.9° |
| C12 | C13 | H1 | 119.0° | 120.0° |
| C01 | C06 | C05 | 122.9° | 120.2° |
| C01 | C06 | S20 | 127.1° | 119.9° |
| C06 | C01 | H3 | 121.1° | 119.9° |
| C12 | N10 | C09 | 116.9° | 120.0° |
| N10 | C12 | C17 | 121.9° | 120.1° |
| C12 | N10 | H7 | 121.5° | 120.0° |
| N10 | C09 | N08 | 127.1° | 120.0° |
| N10 | C09 | O11 | 122.6° | 120.0° |
| C09 | N10 | H7 | 121.5° | 120.0° |
| N08 | C09 | O11 | 110.2° | 120.0° |
| C09 | N08 | H6 | 107.5° | 120.0° |
| C14 | C15 | F19 | 118.5° | 119.9° |
| C14 | C15 | C16 | 120.7° | 120.1° |
| C15 | C14 | H8 | 120.8° | 120.0° |
| C12 | C17 | C16 | 119.0° | 120.0° |
| C12 | C17 | H2 | 120.5° | 120.0° |
| F19 | C15 | C16 | 120.8° | 120.0° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C15 | C16 | C18 | 119.7° | 120.0° |
| C17 | C16 | C18 | 119.9° | 120.0° |
| C16 | C17 | H2 | 120.5° | 120.0° |
| C16 | C18 | H9 | 109.5° | 109.5° |
| C16 | C18 | H10 | 109.5° | 109.5° |
| C16 | C18 | H11 | 109.5° | 109.4° |
| C05 | C06 | S20 | 109.9° | 119.9° |
| C06 | C05 | H4 | 119.7° | 120.0° |
| C06 | S20 | N23 | 104.5° | 107.2° |
| C06 | S20 | O22 | 109.9° | 106.4° |
| C06 | S20 | O21 | 115.4° | 106.4° |
| N23 | S20 | O22 | 113.1° | 106.4° |
| N23 | S20 | O21 | 109.1° | 106.4° |
| S20 | N23 | H12 | 109.5° | 120.0° |
| S20 | N23 | H13 | 109.5° | 120.0° |
| O22 | S20 | O21 | 105.0° | 123.1° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H11 | 109.4° | 109.5° |
| H10 | C18 | H11 | 109.4° | 109.4° |
| H12 | N23 | H13 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | N24 | O25 | C02 | 174.3° | 179.9° |
| O26 | N24 | C02 | C03 | 23.2° | 0.1° |
| O26 | N24 | C02 | C01 | 154.7° | 180.0° |
| O07 | C03 | C02 | N24 | 2.4° | 0.1° |
| O07 | C03 | C02 | C04 | 177.5° | 179.9° |
| O07 | C03 | C02 | C01 | 179.9° | 179.9° |
| O07 | C03 | C04 | N08 | 8.9° | 0.0° |
| O07 | C03 | C04 | C05 | 178.3° | 179.9° |
| O25 | N24 | C02 | C03 | 162.6° | 180.0° |
| O25 | N24 | C02 | C01 | 19.5° | 0.1° |
| N24 | C02 | C03 | C01 | 177.8° | 179.9° |
| N24 | C02 | C03 | C04 | 179.9° | 180.0° |
| N24 | C02 | C01 | C06 | 179.4° | 180.0° |
| N24 | C02 | C01 | H3 | 0.6° | 0.2° |
| C02 | C03 | C04 | N08 | 173.6° | 179.9° |
| C02 | C03 | C04 | C05 | 4.2° | 0.0° |
| C03 | C02 | C01 | C06 | 1.4° | 0.0° |
| C03 | C02 | C01 | H3 | 178.6° | 179.7° |
| C02 | C03 | O07 | H5 | 11.7° | 90.1° |
| C04 | C03 | C02 | C01 | 2.4° | 0.0° |
| C03 | C04 | N08 | C05 | 170.8° | 180.0° |
| C03 | C04 | N08 | C09 | 76.0° | 147.6° |
| C03 | C04 | C05 | C06 | 5.0° | 0.0° |
| C03 | C04 | C05 | H4 | 175.0° | 180.0° |
| C04 | C03 | O07 | H5 | 170.9° | 90.0° |
| C03 | C04 | N08 | H6 | 104.0° | 32.3° |
| C02 | C01 | C06 | H3 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 2.1° | 0.1° |
| C02 | C01 | C06 | S20 | 177.7° | 179.8° |
| C04 | N08 | C09 | N10 | 11.5° | 175.4° |
| C04 | N08 | C09 | H6 | 180.0° | 179.9° |
| C04 | N08 | C09 | O11 | 171.9° | 4.6° |
| N08 | C04 | C05 | C06 | 178.0° | 179.9° |
| N08 | C04 | C05 | H4 | 2.0° | 0.0° |
| C04 | C05 | C06 | C01 | 4.0° | 0.1° |
| C05 | C04 | N08 | C09 | 113.2° | 32.4° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C04 | C05 | C06 | S20 | 179.8° | 179.8° |
| C05 | C04 | N08 | H6 | 66.8° | 147.6° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | N10 | 179.9° | 180.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 2.0° | 0.0° |
| C13 | C14 | C15 | F19 | 179.2° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C13 | C12 | N10 | C17 | 178.0° | 180.0° |
| C13 | C12 | N10 | C09 | 39.6° | 33.9° |
| C12 | C13 | C14 | C15 | 1.7° | 0.0° |
| C13 | C12 | C17 | C16 | 1.3° | 0.1° |
| C13 | C12 | C17 | H2 | 178.7° | 179.9° |
| C13 | C12 | N10 | H7 | 140.4° | 146.1° |
| C12 | C13 | C14 | H8 | 178.3° | 180.0° |
| C01 | C06 | C05 | S20 | 176.2° | 179.7° |
| C01 | C06 | S20 | N23 | 4.5° | 90.0° |
| C01 | C06 | S20 | O22 | 117.2° | 23.5° |
| C01 | C06 | S20 | O21 | 124.4° | 156.4° |
| C01 | C06 | C05 | H4 | 176.0° | 180.0° |
| C12 | N10 | C09 | H7 | 180.0° | 179.9° |
| C12 | N10 | C09 | N08 | 175.8° | 174.9° |
| C12 | N10 | C09 | O11 | 0.4° | 5.1° |
| N10 | C12 | C17 | C16 | 179.3° | 179.9° |
| N10 | C12 | C13 | H1 | 0.1° | 0.3° |
| N10 | C12 | C17 | H2 | 0.6° | 0.1° |
| N10 | C09 | N08 | O11 | 176.5° | 180.0° |
| C09 | N10 | C12 | C17 | 142.3° | 146.1° |
| N10 | C09 | N08 | H6 | 168.5° | 4.5° |
| N08 | C09 | N10 | H7 | 4.2° | 5.2° |
| C14 | C15 | F19 | C16 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | C18 | 179.9° | 180.0° |
| C15 | C14 | C13 | H1 | 178.3° | 179.7° |
| C12 | C17 | C16 | C15 | 0.4° | 0.1° |
| C12 | C17 | C16 | H2 | 180.0° | 179.9° |
| C12 | C17 | C16 | C18 | 179.6° | 179.9° |
| C17 | C12 | C13 | H1 | 178.0° | 179.7° |
| C17 | C12 | N10 | H7 | 37.7° | 33.9° |
| O11 | C09 | N08 | H6 | 8.1° | 175.5° |
| O11 | C09 | N10 | H7 | 179.6° | 174.8° |
| F19 | C15 | C16 | C17 | 179.9° | 179.9° |
| F19 | C15 | C16 | C18 | 0.1° | 0.0° |
| F19 | C15 | C14 | H8 | 0.8° | 0.0° |
| C15 | C16 | C17 | C18 | 180.0° | 179.9° |
| C15 | C16 | C17 | H2 | 179.6° | 180.0° |
| C16 | C15 | C14 | H8 | 179.3° | 180.0° |
| C15 | C16 | C18 | H9 | 90.0° | 90.0° |
| C15 | C16 | C18 | H10 | 149.9° | 150.0° |
| C15 | C16 | C18 | H11 | 30.0° | 30.1° |
| C17 | C16 | C18 | H9 | 90.1° | 90.0° |
| C17 | C16 | C18 | H10 | 30.0° | 29.9° |
| C17 | C16 | C18 | H11 | 150.0° | 149.9° |
| C18 | C16 | C17 | H2 | 0.4° | 0.1° |
| C16 | C18 | H9 | H10 | 120.0° | 120.0° |
| C16 | C18 | H9 | H11 | 120.0° | 120.0° |
| C16 | C18 | H10 | H11 | 120.0° | 119.9° |
| C05 | C06 | S20 | N23 | 179.5° | 90.3° |
| C05 | C06 | S20 | O22 | 58.8° | 156.2° |
| C05 | C06 | S20 | O21 | 59.6° | 23.3° |
| C05 | C06 | C01 | H3 | 177.8° | 179.7° |
| C06 | S20 | N23 | O22 | 119.5° | 113.5° |
| C06 | S20 | N23 | O21 | 124.0° | 113.6° |
| C06 | S20 | O22 | O21 | 124.7° | 123.0° |
| S20 | C06 | C01 | H3 | 2.3° | 0.0° |
| S20 | C06 | C05 | H4 | 0.2° | 0.3° |
| C06 | S20 | N23 | H12 | 180.0° | 150.0° |
| C06 | S20 | N23 | H13 | 60.0° | 29.9° |
| N23 | S20 | O22 | O21 | 118.9° | 123.0° |
| S20 | N23 | H12 | H13 | 120.0° | 180.0° |
| O22 | S20 | N23 | H12 | 60.5° | 96.5° |
| O22 | S20 | N23 | H13 | 59.6° | 83.6° |
| O21 | S20 | N23 | H12 | 56.0° | 36.4° |
| O21 | S20 | N23 | H13 | 176.0° | 143.5° |
| H1 | C13 | C14 | H8 | 1.7° | 0.3° |
| H9 | C18 | H10 | H11 | 120.0° | 120.1° |
