I5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.22Å | 1.18Å | |
| C04 | C06 | sing | 1.42Å | 1.49Å | |
| C04 | N03 | sing | 1.35Å | 1.44Å | |
| C06 | C07 | doub | 1.35Å | 1.47Å | |
| C11 | C09 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| N03 | C02 | sing | 1.35Å | 1.49Å | |
| C07 | C09 | sing | 1.51Å | 1.50Å | |
| C07 | N08 | sing | 1.37Å | 1.44Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C02 | N08 | sing | 1.35Å | 1.48Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| N03 | H8 | sing | 0.97Å | 1.00Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| N08 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | C06 | 119.5° | 120.3° |
| O05 | C04 | N03 | 119.3° | 120.4° |
| C06 | C04 | N03 | 121.2° | 119.4° |
| C04 | C06 | C07 | 116.2° | 119.1° |
| C04 | C06 | H3 | 121.9° | 120.4° |
| C04 | N03 | C02 | 121.4° | 120.3° |
| C04 | N03 | H8 | 119.3° | 119.9° |
| C06 | C07 | C09 | 122.0° | 120.2° |
| C06 | C07 | N08 | 123.5° | 119.7° |
| C07 | C06 | H3 | 121.9° | 120.5° |
| C09 | C11 | C10 | 59.7° | 60.0° |
| C11 | C09 | C07 | 119.2° | 117.6° |
| C11 | C09 | C10 | 60.2° | 60.0° |
| C11 | C09 | H5 | 114.1° | 117.5° |
| C09 | C11 | H6 | 120.0° | 117.5° |
| C09 | C11 | H7 | 120.0° | 117.5° |
| C11 | C10 | C09 | 60.0° | 60.0° |
| C11 | C10 | H1 | 120.0° | 117.5° |
| C11 | C10 | H2 | 120.0° | 117.5° |
| C10 | C11 | H6 | 120.0° | 117.5° |
| C10 | C11 | H7 | 120.0° | 117.6° |
| N03 | C02 | N08 | 117.8° | 120.9° |
| N03 | C02 | O01 | 120.8° | 119.6° |
| C02 | N03 | H8 | 119.3° | 119.9° |
| C09 | C07 | N08 | 114.4° | 120.1° |
| C07 | C09 | C10 | 123.6° | 117.5° |
| C07 | C09 | H5 | 114.6° | 115.5° |
| C07 | N08 | C02 | 119.8° | 120.6° |
| C07 | N08 | H4 | 120.1° | 119.7° |
| C09 | C10 | H1 | 120.0° | 117.5° |
| C09 | C10 | H2 | 120.0° | 117.5° |
| C10 | C09 | H5 | 114.2° | 117.5° |
| N08 | C02 | O01 | 121.4° | 119.5° |
| C02 | N08 | H4 | 120.1° | 119.7° |
| H1 | C10 | H2 | 109.5° | 115.5° |
| H6 | C11 | H7 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | C06 | N03 | 179.2° | 179.6° |
| O05 | C04 | C06 | C07 | 178.9° | 180.0° |
| O05 | C04 | N03 | C02 | 178.6° | 179.7° |
| O05 | C04 | N03 | H8 | 1.4° | 0.4° |
| O05 | C04 | C06 | H3 | 1.1° | 0.4° |
| C04 | C06 | C07 | H3 | 180.0° | 179.6° |
| C06 | C04 | N03 | C02 | 2.2° | 0.1° |
| C04 | C06 | C07 | C09 | 178.5° | 180.0° |
| C04 | C06 | C07 | N08 | 0.3° | 0.6° |
| C06 | C04 | N03 | H8 | 177.7° | 180.0° |
| N03 | C04 | C06 | C07 | 1.9° | 0.4° |
| C04 | N03 | C02 | H8 | 180.0° | 179.9° |
| C04 | N03 | C02 | N08 | 0.8° | 0.0° |
| C04 | N03 | C02 | O01 | 177.7° | 179.8° |
| N03 | C04 | C06 | H3 | 178.1° | 180.0° |
| C06 | C07 | C09 | C11 | 146.3° | 171.4° |
| C06 | C07 | C09 | N08 | 178.9° | 179.4° |
| C06 | C07 | C09 | C10 | 141.8° | 120.0° |
| C06 | C07 | N08 | C02 | 1.0° | 0.5° |
| C06 | C07 | C09 | H5 | 5.9° | 25.6° |
| C06 | C07 | N08 | H4 | 178.9° | 179.5° |
| C09 | C11 | C10 | H6 | 109.4° | 107.4° |
| C09 | C11 | C10 | H7 | 109.4° | 107.5° |
| C11 | C09 | C07 | C10 | 71.9° | 68.6° |
| C11 | C09 | C07 | H5 | 140.4° | 145.8° |
| C11 | C09 | C07 | N08 | 32.5° | 8.0° |
| C11 | C09 | C10 | H5 | 105.0° | 107.5° |
| C09 | C11 | C10 | H1 | 109.5° | 107.5° |
| C09 | C11 | C10 | H2 | 109.5° | 107.6° |
| C09 | C11 | H6 | H7 | 144.9° | 145.7° |
| C11 | C10 | H1 | H2 | 144.7° | 145.6° |
| C10 | C11 | H6 | H7 | 144.9° | 145.8° |
| N03 | C02 | N08 | C07 | 0.8° | 0.2° |
| N03 | C02 | N08 | O01 | 178.6° | 179.8° |
| N03 | C02 | N08 | H4 | 179.2° | 179.8° |
| C07 | C09 | C10 | H5 | 147.9° | 144.9° |
| C09 | C07 | N08 | C02 | 179.9° | 179.9° |
| C07 | C09 | C10 | H1 | 143.4° | 0.1° |
| C07 | C09 | C10 | H2 | 2.4° | 145.0° |
| C07 | C09 | C11 | H6 | 136.3° | 0.0° |
| C07 | C09 | C11 | H7 | 4.9° | 145.0° |
| C09 | C07 | C06 | H3 | 1.5° | 0.4° |
| C09 | C07 | N08 | H4 | 0.1° | 0.1° |
| N08 | C07 | C09 | C10 | 39.3° | 60.6° |
| C07 | N08 | C02 | H4 | 180.0° | 180.0° |
| C07 | N08 | C02 | O01 | 179.3° | 180.0° |
| N08 | C07 | C09 | H5 | 172.9° | 153.8° |
| N08 | C07 | C06 | H3 | 179.7° | 179.8° |
| C09 | C10 | H1 | H2 | 144.7° | 145.7° |
| N08 | C02 | N03 | H8 | 179.1° | 179.9° |
| O01 | C02 | N03 | H8 | 2.3° | 0.3° |
| O01 | C02 | N08 | H4 | 0.6° | 0.0° |
| H1 | C10 | C09 | H5 | 4.4° | 145.0° |
| H1 | C10 | C11 | H6 | 0.1° | 0.1° |
| H1 | C10 | C11 | H7 | 141.1° | 145.0° |
| H2 | C10 | C09 | H5 | 145.5° | 0.0° |
| H2 | C10 | C11 | H6 | 141.1° | 145.0° |
| H2 | C10 | C11 | H7 | 0.1° | 0.1° |
| H5 | C09 | C11 | H6 | 4.2° | 145.0° |
| H5 | C09 | C11 | H7 | 145.5° | 0.1° |
