HVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C10 | sing | 1.47Å | 1.47Å | |
| O14 | C9 | doub | 1.21Å | 1.22Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C6 | sing | 1.51Å | 1.49Å | |
| C9 | O17 | sing | 1.34Å | 1.36Å | |
| C3 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O16 | C8 | doub | 1.21Å | 1.36Å | |
| C8 | C5 | sing | 1.48Å | 1.46Å | |
| C8 | O13 | sing | 1.35Å | 1.23Å | |
| C5 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.46Å | |
| C7 | O12 | doub | 1.21Å | 1.23Å | |
| C7 | O15 | sing | 1.35Å | 1.36Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| N11 | H5 | sing | 1.01Å | 1.00Å | |
| N11 | H6 | sing | 1.01Å | 1.00Å | |
| O13 | H8 | sing | 0.97Å | 0.95Å | |
| O15 | H9 | sing | 0.97Å | 0.95Å | |
| O17 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C10 | C9 | 107.5° | 109.5° |
| N11 | C10 | C6 | 112.8° | 109.5° |
| N11 | C10 | H4 | 108.5° | 109.4° |
| C10 | N11 | H5 | 109.5° | 111.0° |
| C10 | N11 | H6 | 109.4° | 111.0° |
| O14 | C9 | C10 | 124.7° | 120.0° |
| O14 | C9 | O17 | 122.2° | 120.0° |
| C9 | C10 | C6 | 111.8° | 109.5° |
| C10 | C9 | O17 | 113.1° | 120.0° |
| C9 | C10 | H4 | 107.8° | 109.5° |
| C10 | C6 | C3 | 120.3° | 119.8° |
| C10 | C6 | C2 | 119.8° | 119.8° |
| C6 | C10 | H4 | 108.3° | 109.5° |
| C9 | O17 | H10 | 109.5° | 117.0° |
| C6 | C3 | C5 | 120.1° | 119.9° |
| C3 | C6 | C2 | 119.9° | 120.4° |
| C6 | C3 | H2 | 120.0° | 120.0° |
| C3 | C5 | C8 | 118.3° | 120.2° |
| C3 | C5 | C4 | 120.0° | 119.6° |
| C5 | C3 | H2 | 120.0° | 120.0° |
| C6 | C2 | C1 | 120.1° | 120.4° |
| C6 | C2 | H3 | 120.0° | 119.7° |
| O16 | C8 | C5 | 111.8° | 120.0° |
| O16 | C8 | O13 | 122.6° | 120.0° |
| C5 | C8 | O13 | 125.6° | 120.0° |
| C8 | C5 | C4 | 121.7° | 120.2° |
| C8 | O13 | H8 | 109.5° | 117.0° |
| C5 | C4 | C1 | 119.8° | 119.6° |
| C5 | C4 | C7 | 121.9° | 120.2° |
| C2 | C1 | C4 | 120.1° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H3 | 120.0° | 119.8° |
| C1 | C4 | C7 | 118.3° | 120.2° |
| C4 | C1 | H1 | 119.9° | 120.0° |
| C4 | C7 | O12 | 125.6° | 120.0° |
| C4 | C7 | O15 | 112.2° | 120.0° |
| O12 | C7 | O15 | 122.2° | 120.0° |
| C7 | O15 | H9 | 109.5° | 117.0° |
| H5 | N11 | H6 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | C9 | O14 | 22.9° | 20.0° |
| N11 | C10 | C9 | C6 | 124.3° | 120.0° |
| N11 | C10 | C9 | H4 | 116.8° | 120.0° |
| N11 | C10 | C6 | H4 | 120.1° | 120.0° |
| N11 | C10 | C9 | O17 | 157.0° | 160.0° |
| N11 | C10 | C6 | C3 | 84.7° | 139.7° |
| N11 | C10 | C6 | C2 | 95.3° | 40.0° |
| C10 | N11 | H5 | H6 | 120.0° | 124.0° |
| O14 | C9 | C10 | O17 | 179.9° | 180.0° |
| O14 | C9 | C10 | C6 | 147.2° | 100.0° |
| O14 | C9 | C10 | H4 | 93.9° | 140.0° |
| O14 | C9 | O17 | H10 | 0.0° | 0.0° |
| C9 | C10 | C6 | H4 | 118.6° | 120.0° |
| C9 | C10 | C6 | C3 | 154.0° | 100.3° |
| C9 | C10 | C6 | C2 | 26.0° | 80.0° |
| C9 | C10 | N11 | H5 | 180.0° | 60.0° |
| C9 | C10 | N11 | H6 | 60.0° | 176.0° |
| C10 | C9 | O17 | H10 | 179.9° | 180.0° |
| C6 | C10 | C9 | O17 | 32.7° | 80.0° |
| C10 | C6 | C3 | C2 | 180.0° | 179.7° |
| C10 | C6 | C3 | C5 | 180.0° | 179.7° |
| C10 | C6 | C2 | C1 | 180.0° | 179.8° |
| C10 | C6 | C3 | H2 | 0.1° | 0.2° |
| C10 | C6 | C2 | H3 | 0.0° | 0.3° |
| C6 | C10 | N11 | H5 | 56.3° | 60.0° |
| C6 | C10 | N11 | H6 | 176.3° | 64.0° |
| O17 | C9 | C10 | H4 | 86.2° | 40.0° |
| C6 | C3 | C5 | H2 | 180.0° | 180.0° |
| C6 | C3 | C5 | C8 | 179.8° | 179.9° |
| C6 | C3 | C5 | C4 | 0.1° | 0.0° |
| C3 | C6 | C2 | C1 | 0.0° | 0.0° |
| C3 | C6 | C2 | H3 | 180.0° | 180.0° |
| C3 | C6 | C10 | H4 | 35.4° | 19.8° |
| C5 | C3 | C6 | C2 | 0.0° | 0.0° |
| C3 | C5 | C8 | O16 | 70.6° | 173.8° |
| C3 | C5 | C8 | C4 | 179.7° | 179.9° |
| C3 | C5 | C8 | O13 | 109.2° | 6.2° |
| C3 | C5 | C4 | C1 | 0.1° | 0.0° |
| C3 | C5 | C4 | C7 | 180.0° | 180.0° |
| C6 | C2 | C1 | H3 | 180.0° | 180.0° |
| C6 | C2 | C1 | C4 | 0.1° | 0.0° |
| C6 | C2 | C1 | H1 | 179.9° | 180.0° |
| C2 | C6 | C3 | H2 | 180.0° | 180.0° |
| C2 | C6 | C10 | H4 | 144.7° | 160.0° |
| O16 | C8 | C5 | O13 | 179.9° | 180.0° |
| O16 | C8 | C5 | C4 | 109.1° | 6.2° |
| O16 | C8 | O13 | H8 | 0.0° | 0.1° |
| C8 | C5 | C4 | C1 | 179.8° | 180.0° |
| C8 | C5 | C4 | C7 | 0.3° | 0.1° |
| C8 | C5 | C3 | H2 | 0.2° | 0.0° |
| C5 | C8 | O13 | H8 | 179.8° | 179.9° |
| O13 | C8 | C5 | C4 | 71.0° | 173.9° |
| C5 | C4 | C1 | C2 | 0.1° | 0.1° |
| C5 | C4 | C1 | C7 | 179.8° | 180.0° |
| C5 | C4 | C7 | O12 | 39.1° | 54.7° |
| C5 | C4 | C7 | O15 | 141.0° | 125.0° |
| C5 | C4 | C1 | H1 | 179.9° | 179.9° |
| C4 | C5 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C4 | H1 | 180.0° | 180.0° |
| C2 | C1 | C4 | C7 | 180.0° | 180.0° |
| C1 | C4 | C7 | O12 | 141.0° | 125.3° |
| C1 | C4 | C7 | O15 | 38.8° | 55.0° |
| C4 | C1 | C2 | H3 | 179.9° | 180.0° |
| C4 | C7 | O12 | O15 | 179.8° | 179.7° |
| C7 | C4 | C1 | H1 | 0.0° | 0.0° |
| C4 | C7 | O15 | H9 | 179.8° | 179.7° |
| O12 | C7 | O15 | H9 | 0.0° | 0.0° |
| H1 | C1 | C2 | H3 | 0.1° | 0.0° |
| H4 | C10 | N11 | H5 | 63.6° | 180.0° |
| H4 | C10 | N11 | H6 | 56.3° | 56.0° |
