4VZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | sing | 1.36Å | 1.36Å | |
| C07 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | O03 | sing | 1.36Å | 1.40Å | |
| C04 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C09 | C18 | sing | 1.40Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.54Å | |
| O03 | C02 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | doub | 1.36Å | 1.36Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C11 | S12 | sing | 1.78Å | 1.75Å | |
| C11 | C16 | sing | 1.47Å | 1.47Å | |
| S12 | C13 | sing | 1.77Å | 1.77Å | |
| O17 | C16 | doub | 1.22Å | 1.25Å | |
| C16 | N15 | sing | 1.32Å | 1.43Å | |
| C13 | N15 | sing | 1.34Å | 1.38Å | |
| C13 | S14 | doub | 1.71Å | 1.58Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| O06 | H6 | sing | 0.97Å | 0.95Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | C07 | 122.6° | 119.9° |
| O06 | C05 | C04 | 119.1° | 119.9° |
| C05 | O06 | H6 | 109.5° | 114.0° |
| C05 | C07 | C08 | 121.7° | 120.2° |
| C07 | C05 | C04 | 118.3° | 120.2° |
| C05 | C07 | H7 | 119.2° | 119.9° |
| C07 | C08 | C09 | 123.3° | 119.9° |
| C08 | C07 | H7 | 119.1° | 119.9° |
| C07 | C08 | H8 | 118.4° | 120.0° |
| C05 | C04 | O03 | 119.0° | 120.0° |
| C05 | C04 | C18 | 118.0° | 120.0° |
| C08 | C09 | C18 | 113.9° | 119.8° |
| C08 | C09 | C10 | 120.7° | 120.1° |
| C09 | C08 | H8 | 118.4° | 120.0° |
| O03 | C04 | C18 | 123.0° | 120.0° |
| C04 | O03 | C02 | 121.0° | 117.0° |
| C04 | C18 | C09 | 124.8° | 119.8° |
| C04 | C18 | H12 | 117.6° | 120.1° |
| C18 | C09 | C10 | 125.4° | 120.1° |
| C09 | C18 | H12 | 117.6° | 120.1° |
| C09 | C10 | C11 | 133.5° | 120.0° |
| C09 | C10 | H9 | 113.2° | 120.0° |
| O03 | C02 | C01 | 112.5° | 109.5° |
| O03 | C02 | H4 | 108.7° | 109.5° |
| O03 | C02 | H5 | 108.7° | 109.5° |
| C10 | C11 | S12 | 121.8° | 127.9° |
| C10 | C11 | C16 | 134.2° | 128.0° |
| C11 | C10 | H9 | 113.2° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.7° | 109.5° |
| C01 | C02 | H5 | 108.7° | 109.4° |
| S12 | C11 | C16 | 103.9° | 104.1° |
| C11 | S12 | C13 | 96.9° | 94.5° |
| C11 | C16 | O17 | 126.8° | 122.6° |
| C11 | C16 | N15 | 116.9° | 114.9° |
| S12 | C13 | N15 | 109.3° | 106.9° |
| S12 | C13 | S14 | 117.3° | 126.5° |
| O17 | C16 | N15 | 116.2° | 122.5° |
| C16 | N15 | C13 | 112.9° | 119.5° |
| C16 | N15 | H11 | 123.6° | 120.2° |
| N15 | C13 | S14 | 133.4° | 126.6° |
| C13 | N15 | H11 | 123.6° | 120.3° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | C07 | C04 | 179.7° | 180.0° |
| O06 | C05 | C07 | C08 | 179.9° | 180.0° |
| O06 | C05 | C04 | O03 | 0.8° | 0.0° |
| O06 | C05 | C04 | C18 | 179.7° | 179.8° |
| O06 | C05 | C07 | H7 | 0.1° | 0.1° |
| C05 | C07 | C08 | H7 | 180.0° | 180.0° |
| C05 | C07 | C08 | C09 | 0.1° | 0.0° |
| C07 | C05 | C04 | O03 | 179.5° | 180.0° |
| C07 | C05 | C04 | C18 | 0.6° | 0.3° |
| C07 | C05 | O06 | H6 | 180.0° | 90.0° |
| C05 | C07 | C08 | H8 | 179.9° | 179.9° |
| C08 | C07 | C05 | C04 | 0.2° | 0.0° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C07 | C08 | C09 | C18 | 0.3° | 0.3° |
| C07 | C08 | C09 | C10 | 179.6° | 180.0° |
| C05 | C04 | O03 | C18 | 178.8° | 179.8° |
| C05 | C04 | C18 | C09 | 0.9° | 0.5° |
| C05 | C04 | O03 | C02 | 153.7° | 179.7° |
| C04 | C05 | O06 | H6 | 0.3° | 90.0° |
| C04 | C05 | C07 | H7 | 179.8° | 180.0° |
| C05 | C04 | C18 | H12 | 179.1° | 179.7° |
| C08 | C09 | C18 | C04 | 0.7° | 0.5° |
| C08 | C09 | C18 | C10 | 179.2° | 179.7° |
| C08 | C09 | C10 | C11 | 169.3° | 158.9° |
| C09 | C08 | C07 | H7 | 179.9° | 180.0° |
| C08 | C09 | C10 | H9 | 10.7° | 21.0° |
| C08 | C09 | C18 | H12 | 179.3° | 179.7° |
| O03 | C04 | C18 | C09 | 179.7° | 179.7° |
| C04 | O03 | C02 | C01 | 174.8° | 180.0° |
| C04 | O03 | C02 | H4 | 64.8° | 60.0° |
| C04 | O03 | C02 | H5 | 54.3° | 60.0° |
| O03 | C04 | C18 | H12 | 0.3° | 0.1° |
| C04 | C18 | C09 | H12 | 180.0° | 179.8° |
| C04 | C18 | C09 | C10 | 180.0° | 179.8° |
| C18 | C04 | O03 | C02 | 27.5° | 0.1° |
| C18 | C09 | C10 | C11 | 11.6° | 21.4° |
| C18 | C09 | C08 | H8 | 179.6° | 179.8° |
| C18 | C09 | C10 | H9 | 168.4° | 158.7° |
| C09 | C10 | C11 | H9 | 180.0° | 179.9° |
| C09 | C10 | C11 | S12 | 4.0° | 7.5° |
| C09 | C10 | C11 | C16 | 176.3° | 172.8° |
| C10 | C09 | C08 | H8 | 0.4° | 0.1° |
| C10 | C09 | C18 | H12 | 0.0° | 0.0° |
| O03 | C02 | C01 | H4 | 120.4° | 120.0° |
| O03 | C02 | C01 | H5 | 120.4° | 120.0° |
| O03 | C02 | C01 | H1 | 180.0° | 60.1° |
| O03 | C02 | C01 | H2 | 60.0° | 60.0° |
| O03 | C02 | C01 | H3 | 60.0° | 180.0° |
| O03 | C02 | H4 | H5 | 118.6° | 120.0° |
| C10 | C11 | S12 | C16 | 179.8° | 179.7° |
| C10 | C11 | S12 | C13 | 179.6° | 180.0° |
| C10 | C11 | C16 | O17 | 0.4° | 0.0° |
| C10 | C11 | C16 | N15 | 179.5° | 179.7° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.6° | 119.9° |
| S12 | C11 | C16 | O17 | 179.9° | 179.7° |
| S12 | C11 | C16 | N15 | 0.3° | 0.5° |
| C11 | S12 | C13 | N15 | 0.1° | 0.0° |
| C11 | S12 | C13 | S14 | 179.8° | 180.0° |
| S12 | C11 | C10 | H9 | 176.0° | 172.4° |
| C16 | C11 | S12 | C13 | 0.2° | 0.3° |
| C11 | C16 | O17 | N15 | 179.9° | 179.8° |
| C11 | C16 | N15 | C13 | 0.3° | 0.6° |
| C16 | C11 | C10 | H9 | 3.7° | 7.3° |
| C11 | C16 | N15 | H11 | 179.7° | 179.7° |
| S12 | C13 | N15 | C16 | 0.1° | 0.3° |
| S12 | C13 | N15 | S14 | 179.7° | 180.0° |
| S12 | C13 | N15 | H11 | 179.9° | 180.0° |
| O17 | C16 | N15 | C13 | 179.9° | 179.6° |
| O17 | C16 | N15 | H11 | 0.2° | 0.0° |
| C16 | N15 | C13 | H11 | 180.0° | 179.7° |
| C16 | N15 | C13 | S14 | 179.6° | 179.7° |
| S14 | C13 | N15 | H11 | 0.4° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.6° | 60.0° |
| H1 | C01 | C02 | H5 | 59.5° | 179.9° |
| H2 | C01 | C02 | H4 | 179.6° | 180.0° |
| H2 | C01 | C02 | H5 | 60.4° | 60.0° |
| H3 | C01 | C02 | H4 | 60.4° | 60.0° |
| H3 | C01 | C02 | H5 | 179.5° | 60.0° |
| H7 | C07 | C08 | H8 | 0.1° | 0.1° |
