VDK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C9 | C2 | sing | 1.53Å | 1.54Å | |
| C10 | O11 | doub | 1.21Å | 1.21Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 1.01Å | 1.00Å | |
| N1 | H10 | sing | 1.01Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | OXY | sing | 1.34Å | 1.34Å | |
| OXY | HXY | sing | 0.97Å | 0.95Å | |
| N1 | H11 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C10 | 112.7° | 109.5° |
| C9 | C7 | C6 | 107.4° | 109.5° |
| C7 | C9 | C2 | 113.5° | 109.5° |
| C9 | C7 | H8 | 108.8° | 109.5° |
| C7 | C9 | H12 | 108.4° | 109.5° |
| C7 | C9 | H13 | 108.5° | 109.5° |
| C10 | C7 | C6 | 110.5° | 109.5° |
| C7 | C10 | O11 | 122.0° | 120.0° |
| C10 | C7 | H8 | 108.9° | 109.5° |
| C7 | C10 | OXY | 116.2° | 120.0° |
| C7 | C6 | C5 | 113.2° | 109.4° |
| C7 | C6 | H6 | 108.5° | 109.4° |
| C7 | C6 | H7 | 108.5° | 109.5° |
| C6 | C7 | H8 | 108.3° | 109.5° |
| C9 | C2 | N1 | 106.4° | 109.4° |
| C9 | C2 | C4 | 111.4° | 109.5° |
| C9 | C2 | H1 | 109.2° | 109.5° |
| C2 | C9 | H12 | 108.5° | 109.5° |
| C2 | C9 | H13 | 108.4° | 109.4° |
| O11 | C10 | OXY | 121.8° | 120.0° |
| C6 | C5 | C4 | 107.5° | 109.5° |
| C6 | C5 | H4 | 110.0° | 109.4° |
| C6 | C5 | H5 | 110.0° | 109.5° |
| C5 | C6 | H6 | 108.5° | 109.5° |
| C5 | C6 | H7 | 108.5° | 109.5° |
| N1 | C2 | C4 | 110.5° | 109.5° |
| N1 | C2 | H1 | 110.1° | 109.5° |
| C2 | N1 | H9 | 109.5° | 109.4° |
| C2 | N1 | H10 | 109.5° | 109.5° |
| C2 | N1 | H11 | 109.5° | 109.4° |
| C2 | C4 | C5 | 112.0° | 109.5° |
| C4 | C2 | H1 | 109.2° | 109.5° |
| C2 | C4 | H2 | 108.8° | 109.5° |
| C2 | C4 | H3 | 108.8° | 109.4° |
| C5 | C4 | H2 | 108.8° | 109.4° |
| C5 | C4 | H3 | 108.9° | 109.5° |
| C4 | C5 | H4 | 110.0° | 109.5° |
| C4 | C5 | H5 | 110.0° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H9 | N1 | H10 | 109.5° | 109.5° |
| H9 | N1 | H11 | 109.5° | 109.5° |
| H10 | N1 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| C10 | OXY | HXY | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C10 | C6 | 120.2° | 120.0° |
| C9 | C7 | C10 | H8 | 120.8° | 120.0° |
| C9 | C7 | C6 | H8 | 117.3° | 120.0° |
| C7 | C9 | C2 | H12 | 120.6° | 120.1° |
| C7 | C9 | C2 | H13 | 120.6° | 120.0° |
| C9 | C7 | C10 | O11 | 1.6° | 0.1° |
| C9 | C7 | C6 | C5 | 59.3° | 60.0° |
| C7 | C9 | C2 | N1 | 173.4° | 60.0° |
| C7 | C9 | C2 | C4 | 52.9° | 60.0° |
| C7 | C9 | C2 | H1 | 67.8° | 180.0° |
| C9 | C7 | C6 | H6 | 61.3° | 60.0° |
| C9 | C7 | C6 | H7 | 179.8° | 180.0° |
| C7 | C9 | H12 | H13 | 118.2° | 120.0° |
| C9 | C7 | C10 | OXY | 178.9° | 180.0° |
| C10 | C7 | C6 | H8 | 119.3° | 120.0° |
| C10 | C7 | C9 | C2 | 68.2° | 180.0° |
| C7 | C10 | O11 | OXY | 179.4° | 180.0° |
| C10 | C7 | C6 | C5 | 64.1° | 180.0° |
| C10 | C7 | C6 | H6 | 175.3° | 60.0° |
| C10 | C7 | C6 | H7 | 56.4° | 60.0° |
| C10 | C7 | C9 | H12 | 52.4° | 60.0° |
| C10 | C7 | C9 | H13 | 171.2° | 60.0° |
| C7 | C10 | OXY | HXY | 179.4° | 180.0° |
| C6 | C7 | C9 | C2 | 53.8° | 60.0° |
| C6 | C7 | C10 | O11 | 118.6° | 120.0° |
| C7 | C6 | C5 | H6 | 120.6° | 119.9° |
| C7 | C6 | C5 | H7 | 120.5° | 120.0° |
| C7 | C6 | C5 | C4 | 61.2° | 60.0° |
| C7 | C6 | C5 | H4 | 179.1° | 180.0° |
| C7 | C6 | C5 | H5 | 58.5° | 60.1° |
| C7 | C6 | H6 | H7 | 118.3° | 120.0° |
| C6 | C7 | C9 | H12 | 174.4° | 180.0° |
| C6 | C7 | C9 | H13 | 66.8° | 60.0° |
| C6 | C7 | C10 | OXY | 60.8° | 60.0° |
| C9 | C2 | N1 | C4 | 121.0° | 120.0° |
| C9 | C2 | N1 | H1 | 118.2° | 120.0° |
| C9 | C2 | C4 | H1 | 120.8° | 120.0° |
| C9 | C2 | C4 | C5 | 54.0° | 59.9° |
| C9 | C2 | C4 | H2 | 174.4° | 60.0° |
| C9 | C2 | C4 | H3 | 66.4° | 179.9° |
| C2 | C9 | C7 | H8 | 170.8° | 60.0° |
| C9 | C2 | N1 | H9 | 180.0° | 180.0° |
| C9 | C2 | N1 | H10 | 60.0° | 60.0° |
| C2 | C9 | H12 | H13 | 118.1° | 120.0° |
| C9 | C2 | N1 | H11 | 60.0° | 60.0° |
| O11 | C10 | C7 | H8 | 122.5° | 120.0° |
| O11 | C10 | OXY | HXY | 0.0° | 0.0° |
| C6 | C5 | C4 | C2 | 57.1° | 60.0° |
| C6 | C5 | C4 | H4 | 119.7° | 120.0° |
| C6 | C5 | C4 | H5 | 119.7° | 120.0° |
| C6 | C5 | C4 | H2 | 177.5° | 60.0° |
| C6 | C5 | C4 | H3 | 63.3° | 180.0° |
| C6 | C5 | H4 | H5 | 120.9° | 119.9° |
| C5 | C6 | H6 | H7 | 118.3° | 120.1° |
| C5 | C6 | C7 | H8 | 176.6° | 60.0° |
| N1 | C2 | C4 | H1 | 121.2° | 120.0° |
| N1 | C2 | C4 | C5 | 172.1° | 60.0° |
| N1 | C2 | C4 | H2 | 67.6° | 180.0° |
| N1 | C2 | C4 | H3 | 51.7° | 60.0° |
| C2 | N1 | H9 | H10 | 120.0° | 120.0° |
| C2 | N1 | H9 | H11 | 120.0° | 120.0° |
| C2 | N1 | H10 | H11 | 120.0° | 120.0° |
| N1 | C2 | C9 | H12 | 66.0° | 60.0° |
| N1 | C2 | C9 | H13 | 52.8° | 180.0° |
| C2 | C4 | C5 | H2 | 120.4° | 120.0° |
| C2 | C4 | C5 | H3 | 120.4° | 120.0° |
| C2 | C4 | H2 | H3 | 118.9° | 120.0° |
| C2 | C4 | C5 | H4 | 176.8° | 180.0° |
| C2 | C4 | C5 | H5 | 62.6° | 60.0° |
| C4 | C2 | N1 | H9 | 59.0° | 60.0° |
| C4 | C2 | N1 | H10 | 179.0° | 180.0° |
| C4 | C2 | C9 | H12 | 173.5° | 180.0° |
| C4 | C2 | C9 | H13 | 67.7° | 60.0° |
| C4 | C2 | N1 | H11 | 61.1° | 60.0° |
| C5 | C4 | C2 | H1 | 66.7° | 180.0° |
| C5 | C4 | H2 | H3 | 118.9° | 120.0° |
| C4 | C5 | H4 | H5 | 120.9° | 120.0° |
| C4 | C5 | C6 | H6 | 59.4° | 59.9° |
| C4 | C5 | C6 | H7 | 178.3° | 180.0° |
| H1 | C2 | C4 | H2 | 53.6° | 60.0° |
| H1 | C2 | C4 | H3 | 172.9° | 60.0° |
| H1 | C2 | N1 | H9 | 61.8° | 60.0° |
| H1 | C2 | N1 | H10 | 58.3° | 60.0° |
| H1 | C2 | C9 | H12 | 52.7° | 60.0° |
| H1 | C2 | C9 | H13 | 171.6° | 60.0° |
| H1 | C2 | N1 | H11 | 178.2° | 180.0° |
| H2 | C4 | C5 | H4 | 62.8° | 60.0° |
| H2 | C4 | C5 | H5 | 57.8° | 180.0° |
| H3 | C4 | C5 | H4 | 56.5° | 60.0° |
| H3 | C4 | C5 | H5 | 177.1° | 59.9° |
| H4 | C5 | C6 | H6 | 60.3° | 60.1° |
| H4 | C5 | C6 | H7 | 58.6° | 60.0° |
| H5 | C5 | C6 | H6 | 179.1° | 180.0° |
| H5 | C5 | C6 | H7 | 62.0° | 59.9° |
| H6 | C6 | C7 | H8 | 56.0° | 180.0° |
| H7 | C6 | C7 | H8 | 62.9° | 60.0° |
| H8 | C7 | C9 | H12 | 68.5° | 60.0° |
| H8 | C7 | C9 | H13 | 50.3° | 180.0° |
| H8 | C7 | C10 | OXY | 58.1° | 60.0° |
| H9 | N1 | H10 | H11 | 120.0° | 120.1° |
