5Z2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | doub | 1.22Å | 1.26Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C05 | O07 | sing | 1.35Å | 1.27Å | |
| C05 | C04 | sing | 1.47Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C04 | C08 | doub | 1.35Å | 1.42Å | Aromatic |
| C04 | N03 | sing | 1.34Å | 1.37Å | Aromatic |
| C08 | S14 | sing | 1.76Å | 1.69Å | Aromatic |
| N03 | C02 | doub | 1.29Å | 1.32Å | Aromatic |
| S14 | C02 | sing | 1.76Å | 1.71Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.44Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| O07 | H7 | sing | 0.97Å | 0.95Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | O07 | 120.1° | 120.0° |
| O06 | C05 | C04 | 121.2° | 120.0° |
| C13 | C12 | C11 | 116.1° | 109.5° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C13 | C12 | H11 | 107.8° | 109.4° |
| C13 | C12 | H12 | 107.8° | 109.4° |
| C12 | C11 | C10 | 117.9° | 109.5° |
| C12 | C11 | H10 | 107.3° | 109.5° |
| C11 | C12 | H11 | 107.8° | 109.5° |
| C11 | C12 | H12 | 107.8° | 109.5° |
| C12 | C11 | H14 | 107.3° | 109.5° |
| O07 | C05 | C04 | 118.7° | 120.0° |
| C05 | O07 | H7 | 109.5° | 117.0° |
| C05 | C04 | C08 | 125.5° | 122.5° |
| C05 | C04 | N03 | 119.4° | 122.5° |
| C10 | C09 | C08 | 108.8° | 109.5° |
| C09 | C10 | C11 | 117.4° | 109.5° |
| C09 | C10 | H1 | 107.4° | 109.5° |
| C10 | C09 | H8 | 109.6° | 109.5° |
| C10 | C09 | H9 | 109.7° | 109.5° |
| C09 | C10 | H13 | 107.5° | 109.5° |
| C09 | C08 | C04 | 132.0° | 125.9° |
| C09 | C08 | S14 | 123.6° | 125.9° |
| C08 | C09 | H8 | 109.6° | 109.4° |
| C08 | C09 | H9 | 109.6° | 109.4° |
| C11 | C10 | H1 | 107.4° | 109.5° |
| C10 | C11 | H10 | 107.3° | 109.5° |
| C11 | C10 | H13 | 107.4° | 109.5° |
| C10 | C11 | H14 | 107.3° | 109.5° |
| C08 | C04 | N03 | 115.1° | 115.0° |
| C04 | C08 | S14 | 104.4° | 108.3° |
| C04 | N03 | C02 | 115.6° | 116.9° |
| C08 | S14 | C02 | 96.9° | 90.2° |
| N03 | C02 | S14 | 108.0° | 109.7° |
| N03 | C02 | N01 | 124.7° | 125.1° |
| S14 | C02 | N01 | 127.3° | 125.2° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| C02 | N01 | H6 | 109.5° | 120.0° |
| H1 | C10 | H13 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | N01 | H6 | 109.4° | 120.0° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C11 | H14 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | O07 | C04 | 178.4° | 179.9° |
| O06 | C05 | C04 | C08 | 17.5° | 0.1° |
| O06 | C05 | C04 | N03 | 163.5° | 180.0° |
| O06 | C05 | O07 | H7 | 0.0° | 0.1° |
| C13 | C12 | C11 | H11 | 121.0° | 120.0° |
| C13 | C12 | C11 | H12 | 121.0° | 120.0° |
| C13 | C12 | C11 | C10 | 166.4° | NaN° |
| C12 | C13 | H2 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H4 | 120.0° | 120.1° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C13 | C12 | C11 | H10 | 45.2° | 60.0° |
| C13 | C12 | H11 | H12 | 117.0° | 119.9° |
| C13 | C12 | C11 | H14 | 72.4° | 60.0° |
| C12 | C11 | C10 | C09 | 14.8° | NaN° |
| C12 | C11 | C10 | H10 | 121.2° | 120.0° |
| C12 | C11 | C10 | H14 | 121.2° | 120.0° |
| C12 | C11 | C10 | H1 | 106.4° | 60.0° |
| C11 | C12 | C13 | H2 | 180.0° | 60.0° |
| C11 | C12 | C13 | H3 | 60.0° | 60.0° |
| C11 | C12 | C13 | H4 | 60.0° | 180.0° |
| C12 | C11 | H10 | H14 | 116.2° | 120.0° |
| C11 | C12 | H11 | H12 | 117.0° | 120.1° |
| C12 | C11 | C10 | H13 | 135.9° | 60.0° |
| O07 | C05 | C04 | C08 | 160.8° | 180.0° |
| O07 | C05 | C04 | N03 | 18.2° | 0.1° |
| C05 | C04 | C08 | C09 | 1.3° | 0.2° |
| C05 | C04 | C08 | N03 | 179.0° | 179.9° |
| C05 | C04 | C08 | S14 | 178.3° | 179.9° |
| C05 | C04 | N03 | C02 | 178.4° | 179.9° |
| C04 | C05 | O07 | H7 | 178.4° | 180.0° |
| C10 | C09 | C08 | H8 | 119.9° | 120.0° |
| C10 | C09 | C08 | H9 | 119.9° | 120.0° |
| C09 | C10 | C11 | H1 | 121.1° | 120.0° |
| C09 | C10 | C11 | H13 | 121.2° | 120.0° |
| C10 | C09 | C08 | C04 | 105.8° | 89.7° |
| C10 | C09 | C08 | S14 | 73.7° | 90.0° |
| C09 | C10 | H1 | H13 | 116.4° | 120.0° |
| C10 | C09 | H8 | H9 | 120.3° | 120.1° |
| C09 | C10 | C11 | H10 | 106.4° | 60.0° |
| C09 | C10 | C11 | H14 | 136.0° | 60.0° |
| C08 | C09 | C10 | C11 | 93.6° | 180.0° |
| C09 | C08 | C04 | S14 | 179.6° | 179.7° |
| C09 | C08 | C04 | N03 | 179.7° | 179.7° |
| C09 | C08 | S14 | C02 | 179.8° | 179.7° |
| C08 | C09 | C10 | H1 | 27.6° | 60.0° |
| C08 | C09 | H8 | H9 | 120.3° | 119.9° |
| C08 | C09 | C10 | H13 | 145.3° | 60.0° |
| C11 | C10 | H1 | H13 | 116.3° | 120.0° |
| C11 | C10 | C09 | H8 | 26.3° | 60.0° |
| C11 | C10 | C09 | H9 | 146.5° | 60.0° |
| C10 | C11 | H10 | H14 | 116.2° | 120.0° |
| C10 | C11 | C12 | H11 | 72.6° | 60.0° |
| C10 | C11 | C12 | H12 | 45.4° | 60.0° |
| C08 | C04 | N03 | C02 | 0.7° | 0.1° |
| C04 | C08 | S14 | C02 | 0.5° | 0.0° |
| C04 | C08 | C09 | H8 | 14.1° | 150.3° |
| C04 | C08 | C09 | H9 | 134.3° | 30.3° |
| N03 | C04 | C08 | S14 | 0.8° | 0.0° |
| C04 | N03 | C02 | S14 | 0.2° | 0.1° |
| C04 | N03 | C02 | N01 | 178.5° | 180.0° |
| C08 | S14 | C02 | N03 | 0.2° | 0.0° |
| C08 | S14 | C02 | N01 | 178.9° | 180.0° |
| S14 | C08 | C09 | H8 | 166.4° | 30.0° |
| S14 | C08 | C09 | H9 | 46.2° | 150.0° |
| N03 | C02 | S14 | N01 | 178.7° | 180.0° |
| N03 | C02 | N01 | H5 | 0.0° | 0.1° |
| N03 | C02 | N01 | H6 | 120.0° | 179.9° |
| S14 | C02 | N01 | H5 | 178.5° | 180.0° |
| S14 | C02 | N01 | H6 | 61.5° | 0.0° |
| C02 | N01 | H5 | H6 | 120.0° | 180.0° |
| H1 | C10 | C09 | H8 | 147.4° | 179.9° |
| H1 | C10 | C09 | H9 | 92.4° | 60.0° |
| H1 | C10 | C11 | H10 | 132.4° | 180.0° |
| H1 | C10 | C11 | H14 | 14.8° | 60.0° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H2 | C13 | C12 | H11 | 59.1° | 60.0° |
| H2 | C13 | C12 | H12 | 59.0° | 180.0° |
| H3 | C13 | C12 | H11 | 61.0° | 180.0° |
| H3 | C13 | C12 | H12 | 179.1° | 60.1° |
| H4 | C13 | C12 | H11 | 179.0° | 60.0° |
| H4 | C13 | C12 | H12 | 60.9° | 59.9° |
| H8 | C09 | C10 | H13 | 94.9° | 59.9° |
| H9 | C09 | C10 | H13 | 25.4° | 180.0° |
| H10 | C11 | C12 | H11 | 166.1° | 60.0° |
| H10 | C11 | C12 | H12 | 75.8° | 180.0° |
| H10 | C11 | C10 | H13 | 14.7° | 60.0° |
| H11 | C12 | C11 | H14 | 48.6° | 179.9° |
| H12 | C12 | C11 | H14 | 166.6° | 60.0° |
| H13 | C10 | C11 | H14 | 102.9° | 180.0° |
