7ZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.38Å | 0.00Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 0.00Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 0.00Å | Aromatic |
| O28 | N26 | sing | 1.22Å | 0.00Å | |
| C25 | C20 | doub | 1.39Å | 0.00Å | Aromatic |
| C22 | N26 | sing | 1.48Å | 0.00Å | |
| C22 | C21 | doub | 1.38Å | 0.00Å | Aromatic |
| N26 | O27 | doub | 1.22Å | 0.00Å | |
| C01 | O02 | sing | 1.43Å | 0.00Å | |
| C20 | C21 | sing | 1.39Å | 0.00Å | Aromatic |
| C20 | C17 | sing | 1.48Å | 0.00Å | |
| C17 | C18 | doub | 1.34Å | 0.00Å | Aromatic |
| C17 | N16 | sing | 1.33Å | 0.00Å | Aromatic |
| C18 | S19 | sing | 1.76Å | 0.00Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 0.00Å | |
| O05 | C06 | sing | 1.43Å | 0.00Å | |
| O05 | C04 | sing | 1.36Å | 0.00Å | |
| C03 | C04 | doub | 1.39Å | 0.00Å | Aromatic |
| C03 | C10 | sing | 1.39Å | 0.00Å | Aromatic |
| N16 | C15 | doub | 1.30Å | 0.00Å | Aromatic |
| S19 | C15 | sing | 1.76Å | 0.00Å | Aromatic |
| C04 | C07 | sing | 1.39Å | 0.00Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 0.00Å | Aromatic |
| C15 | N14 | sing | 1.39Å | 0.00Å | |
| C07 | C08 | doub | 1.38Å | 0.00Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 0.00Å | Aromatic |
| C08 | S11 | sing | 1.76Å | 0.00Å | |
| N14 | S11 | sing | 1.66Å | 0.00Å | |
| S11 | O13 | doub | 1.42Å | 0.00Å | |
| S11 | O12 | doub | 1.42Å | 0.00Å | |
| C10 | H1 | sing | 1.08Å | 0.00Å | |
| C21 | H2 | sing | 1.08Å | 0.00Å | |
| C24 | H3 | sing | 1.08Å | 0.00Å | |
| C01 | H4 | sing | 1.09Å | 0.00Å | |
| C01 | H5 | sing | 1.09Å | 0.00Å | |
| C01 | H6 | sing | 1.09Å | 0.00Å | |
| C06 | H7 | sing | 1.09Å | 0.00Å | |
| C06 | H8 | sing | 1.09Å | 0.00Å | |
| C06 | H9 | sing | 1.09Å | 0.00Å | |
| C07 | H10 | sing | 1.08Å | 0.00Å | |
| C09 | H11 | sing | 1.08Å | 0.00Å | |
| N14 | H12 | sing | 0.97Å | 0.00Å | |
| C18 | H13 | sing | 1.08Å | 0.00Å | |
| C23 | H14 | sing | 1.08Å | 0.00Å | |
| C25 | H15 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 90.0° | 120.2° |
| C24 | C23 | C22 | 90.0° | 120.2° |
| C23 | C24 | H3 | 90.0° | 119.9° |
| C24 | C23 | H14 | 90.0° | 119.9° |
| C24 | C25 | C20 | 90.0° | 119.8° |
| C25 | C24 | H3 | 90.0° | 119.9° |
| C24 | C25 | H15 | 90.0° | 120.1° |
| C23 | C22 | N26 | 90.0° | 120.0° |
| C23 | C22 | C21 | 90.0° | 120.1° |
| C22 | C23 | H14 | 90.0° | 119.9° |
| O28 | N26 | C22 | 90.0° | 120.0° |
| O28 | N26 | O27 | 90.0° | 120.0° |
| C25 | C20 | C21 | 90.0° | 119.7° |
| C25 | C20 | C17 | 90.0° | 120.1° |
| C20 | C25 | H15 | 90.0° | 120.1° |
| N26 | C22 | C21 | 90.0° | 119.9° |
| C22 | N26 | O27 | 90.0° | 120.0° |
| C22 | C21 | C20 | 90.0° | 119.9° |
| C22 | C21 | H2 | 90.0° | 120.1° |
| C01 | O02 | C03 | 90.0° | 116.9° |
| O02 | C01 | H4 | 90.0° | 109.5° |
| O02 | C01 | H5 | 90.0° | 109.4° |
| O02 | C01 | H6 | 90.0° | 109.5° |
| C21 | C20 | C17 | 90.0° | 120.2° |
| C20 | C21 | H2 | 90.0° | 120.0° |
| C20 | C17 | C18 | 90.0° | 122.4° |
| C20 | C17 | N16 | 90.0° | 122.4° |
| C18 | C17 | N16 | 90.0° | 115.2° |
| C17 | C18 | S19 | 90.0° | 108.3° |
| C17 | C18 | H13 | 90.0° | 125.8° |
| C17 | N16 | C15 | 90.0° | 116.9° |
| C18 | S19 | C15 | 90.0° | 90.1° |
| S19 | C18 | H13 | 90.0° | 125.9° |
| O02 | C03 | C04 | 90.0° | 120.0° |
| O02 | C03 | C10 | 90.0° | 120.1° |
| C06 | O05 | C04 | 90.0° | 117.0° |
| O05 | C06 | H7 | 90.0° | 109.5° |
| O05 | C06 | H8 | 90.0° | 109.5° |
| O05 | C06 | H9 | 90.0° | 109.4° |
| O05 | C04 | C03 | 90.0° | 120.1° |
| O05 | C04 | C07 | 90.0° | 120.1° |
| C04 | C03 | C10 | 90.0° | 119.9° |
| C03 | C04 | C07 | 90.0° | 119.8° |
| C03 | C10 | C09 | 90.0° | 120.0° |
| C03 | C10 | H1 | 90.0° | 120.0° |
| N16 | C15 | S19 | 90.0° | 109.5° |
| N16 | C15 | N14 | 90.0° | 125.3° |
| S19 | C15 | N14 | 90.0° | 125.2° |
| C04 | C07 | C08 | 90.0° | 120.0° |
| C04 | C07 | H10 | 90.0° | 120.0° |
| C10 | C09 | C08 | 90.0° | 120.2° |
| C09 | C10 | H1 | 90.0° | 120.0° |
| C10 | C09 | H11 | 90.0° | 119.9° |
| C15 | N14 | S11 | 90.0° | 120.0° |
| C15 | N14 | H12 | 90.0° | 120.0° |
| C07 | C08 | C09 | 90.0° | 120.2° |
| C07 | C08 | S11 | 90.0° | 119.9° |
| C08 | C07 | H10 | 90.0° | 120.0° |
| C09 | C08 | S11 | 90.0° | 119.9° |
| C08 | C09 | H11 | 90.0° | 119.9° |
| C08 | S11 | N14 | 90.0° | 107.2° |
| C08 | S11 | O13 | 90.0° | 106.4° |
| C08 | S11 | O12 | 90.0° | 106.4° |
| N14 | S11 | O13 | 90.0° | 106.4° |
| N14 | S11 | O12 | 90.0° | 106.4° |
| S11 | N14 | H12 | 90.0° | 120.0° |
| O13 | S11 | O12 | 90.0° | 123.2° |
| H4 | C01 | H5 | 90.0° | 109.5° |
| H4 | C01 | H6 | 90.0° | 109.5° |
| H5 | C01 | H6 | 90.0° | 109.5° |
| H7 | C06 | H8 | 90.0° | 109.4° |
| H7 | C06 | H9 | 90.0° | 109.5° |
| H8 | C06 | H9 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H3 | 90.0° | 179.7° |
| C24 | C23 | C22 | H14 | 90.0° | 179.6° |
| C23 | C24 | C25 | C20 | 90.0° | 0.6° |
| C24 | C23 | C22 | N26 | 90.0° | 180.0° |
| C24 | C23 | C22 | C21 | 90.0° | 0.1° |
| C23 | C24 | C25 | H15 | 90.0° | 180.0° |
| C25 | C24 | C23 | C22 | 90.0° | 0.4° |
| C24 | C25 | C20 | H15 | 90.0° | 179.4° |
| C24 | C25 | C20 | C21 | 90.0° | 0.5° |
| C24 | C25 | C20 | C17 | 90.0° | 179.7° |
| C25 | C24 | C23 | H14 | 90.0° | 180.0° |
| C23 | C22 | N26 | O28 | 90.0° | 0.1° |
| C23 | C22 | N26 | C21 | 90.0° | 180.0° |
| C23 | C22 | N26 | O27 | 90.0° | 180.0° |
| C23 | C22 | C21 | C20 | 90.0° | 0.0° |
| C23 | C22 | C21 | H2 | 90.0° | 180.0° |
| C22 | C23 | C24 | H3 | 90.0° | 179.9° |
| O28 | N26 | C22 | O27 | 90.0° | 179.9° |
| O28 | N26 | C22 | C21 | 90.0° | 180.0° |
| C25 | C20 | C21 | C22 | 90.0° | 0.2° |
| C25 | C20 | C21 | C17 | 90.0° | 179.8° |
| C25 | C20 | C17 | C18 | 90.0° | 0.2° |
| C25 | C20 | C17 | N16 | 90.0° | 179.7° |
| C25 | C20 | C21 | H2 | 90.0° | 179.7° |
| C20 | C25 | C24 | H3 | 90.0° | 179.7° |
| N26 | C22 | C21 | C20 | 90.0° | 180.0° |
| N26 | C22 | C21 | H2 | 90.0° | 0.0° |
| N26 | C22 | C23 | H14 | 90.0° | 0.3° |
| C21 | C22 | N26 | O27 | 90.0° | 0.0° |
| C22 | C21 | C20 | H2 | 90.0° | 180.0° |
| C22 | C21 | C20 | C17 | 90.0° | 180.0° |
| C21 | C22 | C23 | H14 | 90.0° | 179.7° |
| C01 | O02 | C03 | C04 | 90.0° | 180.0° |
| C01 | O02 | C03 | C10 | 90.0° | 0.0° |
| O02 | C01 | H4 | H5 | 90.0° | 119.9° |
| O02 | C01 | H4 | H6 | 90.0° | 120.0° |
| O02 | C01 | H5 | H6 | 90.0° | 120.0° |
| C21 | C20 | C17 | C18 | 90.0° | 180.0° |
| C21 | C20 | C17 | N16 | 90.0° | 0.1° |
| C21 | C20 | C25 | H15 | 90.0° | 179.9° |
| C20 | C17 | C18 | N16 | 90.0° | 179.9° |
| C20 | C17 | C18 | S19 | 90.0° | 179.8° |
| C20 | C17 | N16 | C15 | 90.0° | 179.9° |
| C17 | C20 | C21 | H2 | 90.0° | 0.0° |
| C20 | C17 | C18 | H13 | 90.0° | 0.1° |
| C17 | C20 | C25 | H15 | 90.0° | 0.3° |
| C17 | C18 | S19 | H13 | 90.0° | 179.7° |
| C18 | C17 | N16 | C15 | 90.0° | 0.1° |
| C17 | C18 | S19 | C15 | 90.0° | 0.4° |
| N16 | C17 | C18 | S19 | 90.0° | 0.3° |
| C17 | N16 | C15 | S19 | 90.0° | 0.2° |
| C17 | N16 | C15 | N14 | 90.0° | 180.0° |
| N16 | C17 | C18 | H13 | 90.0° | 180.0° |
| C18 | S19 | C15 | N16 | 90.0° | 0.3° |
| C18 | S19 | C15 | N14 | 90.0° | 179.9° |
| O02 | C03 | C04 | O05 | 90.0° | 0.0° |
| O02 | C03 | C04 | C10 | 90.0° | 180.0° |
| O02 | C03 | C04 | C07 | 90.0° | 180.0° |
| O02 | C03 | C10 | C09 | 90.0° | 180.0° |
| O02 | C03 | C10 | H1 | 90.0° | 0.2° |
| C03 | O02 | C01 | H4 | 90.0° | 60.0° |
| C03 | O02 | C01 | H5 | 90.0° | 180.0° |
| C03 | O02 | C01 | H6 | 90.0° | 60.0° |
| C06 | O05 | C04 | C03 | 90.0° | 180.0° |
| C06 | O05 | C04 | C07 | 90.0° | 0.0° |
| O05 | C06 | H7 | H8 | 90.0° | 120.0° |
| O05 | C06 | H7 | H9 | 90.0° | 120.0° |
| O05 | C06 | H8 | H9 | 90.0° | 120.0° |
| O05 | C04 | C03 | C07 | 90.0° | 180.0° |
| O05 | C04 | C03 | C10 | 90.0° | 180.0° |
| O05 | C04 | C07 | C08 | 90.0° | 179.9° |
| C04 | O05 | C06 | H7 | 90.0° | 60.0° |
| C04 | O05 | C06 | H8 | 90.0° | 180.0° |
| C04 | O05 | C06 | H9 | 90.0° | 60.0° |
| O05 | C04 | C07 | H10 | 90.0° | 0.0° |
| C04 | C03 | C10 | C09 | 90.0° | 0.0° |
| C03 | C04 | C07 | C08 | 90.0° | 0.1° |
| C04 | C03 | C10 | H1 | 90.0° | 179.7° |
| C03 | C04 | C07 | H10 | 90.0° | 180.0° |
| C10 | C03 | C04 | C07 | 90.0° | 0.1° |
| C03 | C10 | C09 | H1 | 90.0° | 179.7° |
| C03 | C10 | C09 | C08 | 90.0° | 0.0° |
| C03 | C10 | C09 | H11 | 90.0° | 179.7° |
| N16 | C15 | S19 | N14 | 90.0° | 179.7° |
| N16 | C15 | N14 | S11 | 90.0° | 180.0° |
| N16 | C15 | N14 | H12 | 90.0° | 0.1° |
| S19 | C15 | N14 | S11 | 90.0° | 0.3° |
| S19 | C15 | N14 | H12 | 90.0° | 179.6° |
| C15 | S19 | C18 | H13 | 90.0° | 180.0° |
| C04 | C07 | C08 | H10 | 90.0° | 179.9° |
| C04 | C07 | C08 | C09 | 90.0° | 0.1° |
| C04 | C07 | C08 | S11 | 90.0° | 180.0° |
| C10 | C09 | C08 | C07 | 90.0° | 0.1° |
| C10 | C09 | C08 | H11 | 90.0° | 179.7° |
| C10 | C09 | C08 | S11 | 90.0° | 180.0° |
| C15 | N14 | S11 | C08 | 90.0° | 65.0° |
| C15 | N14 | S11 | H12 | 90.0° | 179.9° |
| C15 | N14 | S11 | O13 | 90.0° | 178.5° |
| C15 | N14 | S11 | O12 | 90.0° | 48.6° |
| C07 | C08 | C09 | S11 | 90.0° | 179.9° |
| C07 | C08 | S11 | N14 | 90.0° | 90.0° |
| C07 | C08 | S11 | O13 | 90.0° | 23.5° |
| C07 | C08 | S11 | O12 | 90.0° | 156.4° |
| C07 | C08 | C09 | H11 | 90.0° | 179.7° |
| C09 | C08 | S11 | N14 | 90.0° | 90.0° |
| C09 | C08 | S11 | O13 | 90.0° | 156.5° |
| C09 | C08 | S11 | O12 | 90.0° | 23.5° |
| C08 | C09 | C10 | H1 | 90.0° | 179.7° |
| C09 | C08 | C07 | H10 | 90.0° | 180.0° |
| C08 | S11 | N14 | O13 | 90.0° | 113.6° |
| C08 | S11 | N14 | O12 | 90.0° | 113.6° |
| C08 | S11 | O13 | O12 | 90.0° | 123.0° |
| S11 | C08 | C07 | H10 | 90.0° | 0.0° |
| S11 | C08 | C09 | H11 | 90.0° | 0.3° |
| C08 | S11 | N14 | H12 | 90.0° | 115.0° |
| N14 | S11 | O13 | O12 | 90.0° | 122.9° |
| O13 | S11 | N14 | H12 | 90.0° | 1.4° |
| O12 | S11 | N14 | H12 | 90.0° | 131.5° |
| H1 | C10 | C09 | H11 | 90.0° | 0.0° |
| H3 | C24 | C23 | H14 | 90.0° | 0.3° |
| H3 | C24 | C25 | H15 | 90.0° | 0.3° |
| H4 | C01 | H5 | H6 | 90.0° | 120.1° |
| H7 | C06 | H8 | H9 | 90.0° | 120.0° |
