VON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C6 | doub | 1.21Å | 1.26Å | |
| C6 | O12 | sing | 1.34Å | 1.25Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | O10 | sing | 1.43Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C7 | N1 | sing | 1.47Å | 1.51Å | |
| C3 | O9 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | O8 | sing | 1.43Å | 1.41Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O8 | H9 | sing | 0.97Å | 0.95Å | |
| O9 | H10 | sing | 0.97Å | 0.95Å | |
| O10 | H11 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C6 | O12 | 124.7° | 120.0° |
| O11 | C6 | C5 | 116.8° | 120.0° |
| O12 | C6 | C5 | 118.5° | 120.1° |
| C6 | O12 | H12 | 109.5° | 117.1° |
| C6 | C5 | C4 | 112.9° | 109.5° |
| C6 | C5 | C7 | 107.8° | 109.5° |
| C6 | C5 | H6 | 108.0° | 109.5° |
| C4 | C5 | C7 | 111.7° | 109.3° |
| C5 | C4 | O10 | 105.5° | 109.6° |
| C5 | C4 | C3 | 113.1° | 109.1° |
| C5 | C4 | H5 | 109.9° | 109.6° |
| C4 | C5 | H6 | 108.2° | 109.5° |
| C5 | C7 | N1 | 109.1° | 109.5° |
| C7 | C5 | H6 | 108.1° | 109.5° |
| C5 | C7 | H7 | 109.6° | 109.4° |
| C5 | C7 | H8 | 109.6° | 109.5° |
| O10 | C4 | C3 | 108.1° | 109.5° |
| O10 | C4 | H5 | 110.6° | 109.6° |
| C4 | O10 | H11 | 109.5° | 114.0° |
| C4 | C3 | O9 | 111.7° | 109.5° |
| C4 | C3 | C2 | 112.9° | 109.3° |
| C4 | C3 | H4 | 107.3° | 109.6° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C7 | N1 | C2 | 114.7° | 111.2° |
| C7 | N1 | H1 | 108.1° | 111.0° |
| N1 | C7 | H7 | 109.6° | 109.4° |
| N1 | C7 | H8 | 109.6° | 109.5° |
| O9 | C3 | C2 | 108.7° | 109.5° |
| O9 | C3 | H4 | 108.7° | 109.5° |
| C3 | O9 | H10 | 109.5° | 114.0° |
| C3 | C2 | N1 | 108.6° | 109.5° |
| C3 | C2 | O8 | 112.6° | 109.5° |
| C3 | C2 | H3 | 108.4° | 109.5° |
| C2 | C3 | H4 | 107.4° | 109.5° |
| N1 | C2 | O8 | 108.0° | 109.4° |
| C2 | N1 | H1 | 108.2° | 111.0° |
| N1 | C2 | H3 | 109.1° | 109.4° |
| O8 | C2 | H3 | 110.1° | 109.5° |
| C2 | O8 | H9 | 109.5° | 114.0° |
| H7 | C7 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C6 | O12 | C5 | 178.9° | 180.0° |
| O11 | C6 | C5 | C4 | 74.6° | 0.0° |
| O11 | C6 | C5 | C7 | 161.6° | 119.8° |
| O11 | C6 | C5 | H6 | 45.1° | 120.1° |
| O11 | C6 | O12 | H12 | 0.0° | 0.0° |
| O12 | C6 | C5 | C4 | 106.5° | 180.0° |
| O12 | C6 | C5 | C7 | 17.4° | 60.2° |
| O12 | C6 | C5 | H6 | 133.9° | 59.9° |
| C6 | C5 | C4 | C7 | 121.6° | 119.9° |
| C6 | C5 | C4 | H6 | 119.5° | 120.1° |
| C6 | C5 | C7 | H6 | 116.5° | 120.1° |
| C6 | C5 | C4 | O10 | 55.2° | 57.7° |
| C6 | C5 | C4 | C3 | 173.2° | 177.6° |
| C6 | C5 | C7 | N1 | 179.4° | 179.1° |
| C6 | C5 | C4 | H5 | 64.1° | 62.5° |
| C6 | C5 | C7 | H7 | 60.7° | 59.2° |
| C6 | C5 | C7 | H8 | 59.5° | 60.8° |
| C5 | C6 | O12 | H12 | 178.9° | 180.0° |
| C4 | C5 | C7 | H6 | 118.9° | 120.0° |
| C5 | C4 | O10 | C3 | 121.2° | 119.6° |
| C5 | C4 | O10 | H5 | 118.9° | 120.2° |
| C5 | C4 | C3 | H5 | 122.9° | 119.9° |
| C4 | C5 | C7 | N1 | 54.8° | 59.2° |
| C5 | C4 | C3 | O9 | 172.6° | 177.6° |
| C5 | C4 | C3 | C2 | 49.7° | 57.7° |
| C5 | C4 | C3 | H4 | 68.4° | 62.3° |
| C4 | C5 | C7 | H7 | 174.8° | 60.8° |
| C4 | C5 | C7 | H8 | 65.1° | 179.2° |
| C5 | C4 | O10 | H11 | 180.0° | 179.7° |
| C7 | C5 | C4 | O10 | 66.4° | 62.2° |
| C7 | C5 | C4 | C3 | 51.5° | 57.7° |
| C5 | C7 | N1 | H7 | 120.0° | 119.9° |
| C5 | C7 | N1 | H8 | 119.9° | 120.0° |
| C5 | C7 | N1 | C2 | 60.0° | 61.7° |
| C5 | C7 | N1 | H1 | 60.7° | 62.4° |
| C7 | C5 | C4 | H5 | 174.2° | 177.6° |
| C5 | C7 | H7 | H8 | 120.2° | 120.0° |
| O10 | C4 | C3 | H5 | 120.6° | 120.2° |
| O10 | C4 | C3 | O9 | 56.1° | 57.7° |
| O10 | C4 | C3 | C2 | 66.7° | 62.2° |
| O10 | C4 | C3 | H4 | 175.2° | 177.8° |
| O10 | C4 | C5 | H6 | 174.7° | 177.8° |
| C4 | C3 | O9 | C2 | 125.2° | 119.8° |
| C4 | C3 | O9 | H4 | 118.2° | 120.2° |
| C4 | C3 | C2 | H4 | 118.1° | 120.0° |
| C4 | C3 | C2 | N1 | 50.5° | 59.2° |
| C4 | C3 | C2 | O8 | 170.0° | 179.2° |
| C4 | C3 | C2 | H3 | 67.8° | 60.7° |
| C3 | C4 | C5 | H6 | 67.3° | 62.3° |
| C4 | C3 | O9 | H10 | 180.0° | 179.7° |
| C3 | C4 | O10 | H11 | 58.8° | 60.1° |
| C7 | N1 | C2 | C3 | 57.3° | 61.7° |
| C7 | N1 | C2 | H1 | 120.8° | 124.1° |
| C7 | N1 | C2 | O8 | 179.7° | 178.3° |
| C7 | N1 | C2 | H3 | 60.6° | 58.3° |
| N1 | C7 | C5 | H6 | 64.1° | 60.8° |
| N1 | C7 | H7 | H8 | 120.2° | 120.0° |
| O9 | C3 | C2 | H4 | 117.4° | 120.0° |
| O9 | C3 | C2 | N1 | 175.0° | 179.1° |
| O9 | C3 | C2 | O8 | 65.5° | 60.9° |
| O9 | C3 | C2 | H3 | 56.6° | 59.2° |
| O9 | C3 | C4 | H5 | 64.5° | 62.5° |
| C3 | C2 | N1 | O8 | 122.4° | 120.0° |
| C3 | C2 | N1 | H3 | 118.0° | 120.0° |
| C3 | C2 | O8 | H3 | 121.2° | 120.0° |
| C3 | C2 | N1 | H1 | 63.4° | 62.3° |
| C2 | C3 | C4 | H5 | 172.7° | 177.6° |
| C3 | C2 | O8 | H9 | 180.0° | 180.0° |
| C2 | C3 | O9 | H10 | 54.8° | 59.9° |
| N1 | C2 | O8 | H3 | 119.0° | 119.9° |
| N1 | C2 | C3 | H4 | 67.6° | 60.8° |
| C2 | N1 | C7 | H7 | 180.0° | 58.3° |
| C2 | N1 | C7 | H8 | 59.9° | 178.3° |
| N1 | C2 | O8 | H9 | 60.1° | 60.0° |
| O8 | C2 | N1 | H1 | 58.9° | 57.7° |
| O8 | C2 | C3 | H4 | 51.9° | 59.2° |
| H1 | N1 | C2 | H3 | 178.6° | 177.7° |
| H1 | N1 | C7 | H7 | 59.2° | 177.7° |
| H1 | N1 | C7 | H8 | 179.3° | 57.7° |
| H3 | C2 | C3 | H4 | 174.1° | 179.2° |
| H3 | C2 | O8 | H9 | 58.8° | 60.0° |
| H4 | C3 | C4 | H5 | 54.6° | 57.6° |
| H4 | C3 | O9 | H10 | 61.8° | 60.1° |
| H5 | C4 | C5 | H6 | 55.4° | 57.6° |
| H5 | C4 | O10 | H11 | 61.1° | 60.1° |
| H6 | C5 | C7 | H7 | 55.8° | 179.2° |
| H6 | C5 | C7 | H8 | 176.0° | 59.2° |
