JOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | N06 | sing | 1.47Å | 1.41Å | |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| O05 | C04 | sing | 1.43Å | 1.31Å | |
| N06 | C07 | sing | 1.35Å | 1.37Å | |
| C07 | C09 | sing | 1.48Å | 1.45Å | |
| C07 | O08 | doub | 1.21Å | 1.16Å | |
| CL15 | C13 | sing | 1.74Å | 1.65Å | |
| C14 | C09 | doub | 1.40Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.32Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.34Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 105.3° | 109.5° |
| C03 | C02 | N06 | 115.2° | 109.5° |
| C03 | C02 | C04 | 105.7° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C01 | C02 | N06 | 108.2° | 109.5° |
| C01 | C02 | C04 | 113.2° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| N06 | C02 | C04 | 109.3° | 109.4° |
| C02 | N06 | C07 | 119.2° | 120.0° |
| C02 | N06 | H061 | 120.4° | 120.0° |
| C02 | C04 | O05 | 102.7° | 109.4° |
| C02 | C04 | H041 | 111.2° | 109.4° |
| C02 | C04 | H042 | 111.2° | 109.5° |
| O05 | C04 | H041 | 111.1° | 109.5° |
| O05 | C04 | H042 | 111.1° | 109.5° |
| C04 | O05 | H051 | 109.5° | 114.0° |
| N06 | C07 | C09 | 120.3° | 120.0° |
| N06 | C07 | O08 | 122.7° | 120.0° |
| C07 | N06 | H061 | 120.4° | 120.0° |
| C09 | C07 | O08 | 116.9° | 120.0° |
| C07 | C09 | C14 | 118.9° | 120.2° |
| C07 | C09 | C10 | 118.9° | 120.1° |
| CL15 | C13 | C14 | 119.0° | 120.0° |
| CL15 | C13 | C12 | 119.6° | 119.9° |
| C09 | C14 | C13 | 118.9° | 119.8° |
| C14 | C09 | C10 | 122.1° | 119.7° |
| C09 | C14 | H141 | 120.6° | 120.1° |
| C14 | C13 | C12 | 121.2° | 120.1° |
| C13 | C14 | H141 | 120.5° | 120.1° |
| C09 | C10 | C11 | 116.3° | 119.9° |
| C09 | C10 | H101 | 121.9° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.3° |
| C13 | C12 | H121 | 120.1° | 119.9° |
| C10 | C11 | C12 | 121.7° | 120.2° |
| C11 | C10 | H101 | 121.9° | 120.1° |
| C10 | C11 | H111 | 119.1° | 119.9° |
| C12 | C11 | H111 | 119.1° | 119.9° |
| C11 | C12 | H121 | 120.2° | 119.8° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.4° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | N06 | 123.7° | 120.0° |
| C03 | C02 | C01 | C04 | 115.1° | 120.0° |
| C03 | C02 | N06 | C04 | 118.8° | 120.0° |
| C03 | C02 | C04 | O05 | 65.6° | 60.0° |
| C03 | C02 | N06 | C07 | 178.3° | 60.0° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.1° |
| C03 | C02 | C01 | H013 | 60.0° | 59.9° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.1° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C03 | C02 | C04 | H041 | 175.5° | 180.0° |
| C03 | C02 | C04 | H042 | 53.3° | 60.0° |
| C03 | C02 | N06 | H061 | 1.7° | 120.0° |
| C01 | C02 | N06 | C04 | 123.7° | 120.0° |
| C01 | C02 | C04 | O05 | 49.2° | 60.0° |
| C01 | C02 | N06 | C07 | 64.2° | 60.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H012 | H013 | 120.0° | 120.1° |
| C01 | C02 | C03 | H031 | 180.0° | 60.1° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 60.0° |
| C01 | C02 | C04 | H041 | 69.7° | 60.0° |
| C01 | C02 | C04 | H042 | 168.1° | 180.0° |
| C01 | C02 | N06 | H061 | 115.8° | 120.0° |
| N06 | C02 | C04 | O05 | 169.9° | 180.0° |
| C02 | N06 | C07 | H061 | 180.0° | 180.0° |
| C02 | N06 | C07 | C09 | 178.5° | 180.0° |
| C02 | N06 | C07 | O08 | 1.0° | 0.0° |
| N06 | C02 | C01 | H011 | 56.3° | 60.1° |
| N06 | C02 | C01 | H012 | 176.3° | 180.0° |
| N06 | C02 | C01 | H013 | 63.7° | 60.0° |
| N06 | C02 | C03 | H031 | 60.9° | 180.0° |
| N06 | C02 | C03 | H032 | 59.1° | 60.0° |
| N06 | C02 | C03 | H033 | 179.1° | 60.0° |
| N06 | C02 | C04 | H041 | 51.0° | 60.0° |
| N06 | C02 | C04 | H042 | 71.2° | 60.0° |
| C02 | C04 | O05 | H041 | 118.9° | 119.9° |
| C02 | C04 | O05 | H042 | 118.9° | 120.0° |
| C04 | C02 | N06 | C07 | 59.5° | 180.0° |
| C04 | C02 | C01 | H011 | 64.9° | 59.9° |
| C04 | C02 | C01 | H012 | 55.1° | 60.0° |
| C04 | C02 | C01 | H013 | 175.1° | 180.0° |
| C04 | C02 | C03 | H031 | 59.9° | 60.0° |
| C04 | C02 | C03 | H032 | 179.9° | 59.9° |
| C04 | C02 | C03 | H033 | 60.1° | 180.0° |
| C02 | C04 | H041 | H042 | 123.2° | 120.0° |
| C02 | C04 | O05 | H051 | 180.0° | 180.0° |
| C04 | C02 | N06 | H061 | 120.5° | 0.0° |
| O05 | C04 | H041 | H042 | 123.1° | 120.0° |
| N06 | C07 | C09 | O08 | 179.5° | 180.0° |
| N06 | C07 | C09 | C14 | 39.3° | 0.0° |
| N06 | C07 | C09 | C10 | 139.7° | 180.0° |
| C07 | C09 | C14 | C10 | 179.0° | 180.0° |
| C07 | C09 | C14 | C13 | 178.3° | 179.5° |
| C07 | C09 | C10 | C11 | 179.3° | 179.9° |
| C07 | C09 | C10 | H101 | 0.6° | 0.3° |
| C09 | C07 | N06 | H061 | 1.5° | 0.0° |
| C07 | C09 | C14 | H141 | 1.7° | 0.0° |
| O08 | C07 | C09 | C14 | 140.1° | 180.0° |
| O08 | C07 | C09 | C10 | 40.9° | 0.0° |
| O08 | C07 | N06 | H061 | 179.1° | 180.0° |
| CL15 | C13 | C14 | C09 | 179.1° | 179.8° |
| CL15 | C13 | C14 | C12 | 175.0° | 179.4° |
| CL15 | C13 | C12 | C11 | 178.0° | 180.0° |
| CL15 | C13 | C12 | H121 | 2.0° | 0.7° |
| CL15 | C13 | C14 | H141 | 0.9° | 0.3° |
| C09 | C14 | C13 | H141 | 180.0° | 179.5° |
| C09 | C14 | C13 | C12 | 4.0° | 0.9° |
| C14 | C09 | C10 | C11 | 0.4° | 0.0° |
| C14 | C09 | C10 | H101 | 179.6° | 179.7° |
| C13 | C14 | C09 | C10 | 2.7° | 0.5° |
| C14 | C13 | C12 | C11 | 3.0° | 0.6° |
| C14 | C13 | C12 | H121 | 177.0° | 179.9° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.7° | 0.3° |
| C09 | C10 | C11 | H111 | 179.3° | 179.7° |
| C10 | C09 | C14 | H141 | 177.2° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | H121 | 180.0° | 179.3° |
| C13 | C12 | C11 | H111 | 179.4° | 180.0° |
| C12 | C13 | C14 | H141 | 175.9° | 179.7° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | H121 | 179.5° | 179.4° |
| C12 | C11 | C10 | H101 | 179.3° | 179.9° |
| H101 | C10 | C11 | H111 | 0.7° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H041 | C04 | O05 | H051 | 61.1° | 60.0° |
| H042 | C04 | O05 | H051 | 61.1° | 60.0° |
| H111 | C11 | C12 | H121 | 0.6° | 0.7° |
