7DP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C10 | doub | 1.21Å | 1.23Å | |
| C12 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | N02 | sing | 1.35Å | 1.44Å | |
| C09 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| N02 | C04 | sing | 1.47Å | 1.45Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| O13 | C11 | sing | 1.36Å | 1.37Å | |
| C11 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C03 | sing | 1.51Å | 1.51Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | O14 | sing | 1.36Å | 1.40Å | |
| N02 | H1 | sing | 0.97Å | 1.00Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| O13 | H12 | sing | 0.97Å | 0.95Å | |
| O14 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C10 | C12 | 122.1° | 120.0° |
| O01 | C10 | N02 | 119.4° | 120.0° |
| C12 | C10 | N02 | 118.5° | 120.0° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.5° |
| C10 | C12 | H11 | 109.5° | 109.4° |
| C10 | N02 | C04 | 119.3° | 120.0° |
| C10 | N02 | H1 | 120.4° | 120.0° |
| C07 | C09 | C11 | 116.7° | 120.0° |
| C09 | C07 | C05 | 124.3° | 120.1° |
| C09 | C07 | H7 | 117.9° | 120.0° |
| C07 | C09 | H8 | 121.7° | 120.0° |
| C09 | C11 | O13 | 119.1° | 120.1° |
| C09 | C11 | C08 | 119.7° | 119.9° |
| C11 | C09 | H8 | 121.7° | 120.0° |
| C07 | C05 | C03 | 119.1° | 119.9° |
| C07 | C05 | C06 | 119.4° | 120.1° |
| C05 | C07 | H7 | 117.9° | 119.9° |
| N02 | C04 | C03 | 110.3° | 109.5° |
| C04 | N02 | H1 | 120.3° | 120.0° |
| N02 | C04 | H4 | 109.3° | 109.5° |
| N02 | C04 | H5 | 109.3° | 109.5° |
| C04 | C03 | C05 | 105.9° | 109.5° |
| C04 | C03 | H2 | 110.4° | 109.5° |
| C04 | C03 | H3 | 110.4° | 109.5° |
| C03 | C04 | H4 | 109.3° | 109.5° |
| C03 | C04 | H5 | 109.3° | 109.5° |
| O13 | C11 | C08 | 121.2° | 120.1° |
| C11 | O13 | H12 | 109.5° | 114.0° |
| C11 | C08 | C06 | 124.0° | 119.9° |
| C11 | C08 | O14 | 117.3° | 120.1° |
| C03 | C05 | C06 | 121.5° | 119.9° |
| C05 | C03 | H2 | 110.3° | 109.5° |
| C05 | C03 | H3 | 110.4° | 109.5° |
| C05 | C06 | C08 | 116.0° | 120.0° |
| C05 | C06 | H6 | 122.0° | 120.0° |
| C06 | C08 | O14 | 118.6° | 120.0° |
| C08 | C06 | H6 | 122.0° | 120.0° |
| C08 | O14 | H13 | 109.5° | 114.0° |
| H2 | C03 | H3 | 109.5° | 109.4° |
| H4 | C04 | H5 | 109.4° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C10 | C12 | N02 | 178.8° | 179.8° |
| O01 | C10 | N02 | C04 | 0.6° | 0.0° |
| O01 | C10 | N02 | H1 | 179.4° | 180.0° |
| O01 | C10 | C12 | H9 | 0.0° | 119.7° |
| O01 | C10 | C12 | H10 | 120.0° | 0.3° |
| O01 | C10 | C12 | H11 | 120.0° | 120.3° |
| C12 | C10 | N02 | C04 | 179.5° | 179.7° |
| C12 | C10 | N02 | H1 | 0.5° | 0.3° |
| C10 | C12 | H9 | H10 | 120.0° | 120.0° |
| C10 | C12 | H9 | H11 | 120.0° | 120.0° |
| C10 | C12 | H10 | H11 | 120.0° | 120.0° |
| C10 | N02 | C04 | H1 | 180.0° | 180.0° |
| C10 | N02 | C04 | C03 | 146.6° | 180.0° |
| C10 | N02 | C04 | H4 | 26.5° | 60.0° |
| C10 | N02 | C04 | H5 | 93.3° | 60.0° |
| N02 | C10 | C12 | H9 | 178.8° | 60.0° |
| N02 | C10 | C12 | H10 | 58.8° | 180.0° |
| N02 | C10 | C12 | H11 | 61.2° | 60.0° |
| C07 | C09 | C11 | H8 | 180.0° | 179.9° |
| C09 | C07 | C05 | H7 | 180.0° | 180.0° |
| C07 | C09 | C11 | O13 | 179.1° | 179.8° |
| C07 | C09 | C11 | C08 | 1.0° | 0.0° |
| C09 | C07 | C05 | C03 | 178.6° | 180.0° |
| C09 | C07 | C05 | C06 | 0.6° | 0.1° |
| C11 | C09 | C07 | C05 | 0.7° | 0.1° |
| C09 | C11 | O13 | C08 | 180.0° | 179.7° |
| C09 | C11 | C08 | C06 | 1.3° | 0.0° |
| C09 | C11 | C08 | O14 | 178.5° | 180.0° |
| C11 | C09 | C07 | H7 | 179.3° | 180.0° |
| C09 | C11 | O13 | H12 | 180.0° | 90.3° |
| C07 | C05 | C03 | C04 | 89.3° | 90.0° |
| C07 | C05 | C03 | C06 | 177.9° | 179.9° |
| C07 | C05 | C06 | C08 | 0.8° | 0.1° |
| C07 | C05 | C03 | H2 | 151.2° | 150.0° |
| C07 | C05 | C03 | H3 | 30.1° | 30.0° |
| C07 | C05 | C06 | H6 | 179.2° | 180.0° |
| C05 | C07 | C09 | H8 | 179.2° | 180.0° |
| N02 | C04 | C03 | H4 | 120.1° | 120.0° |
| N02 | C04 | C03 | H5 | 120.1° | 120.0° |
| N02 | C04 | C03 | C05 | 160.1° | 180.0° |
| N02 | C04 | C03 | H2 | 80.5° | 60.0° |
| N02 | C04 | C03 | H3 | 40.7° | 60.0° |
| N02 | C04 | H4 | H5 | 119.6° | 120.0° |
| C04 | C03 | C05 | H2 | 119.4° | 120.0° |
| C04 | C03 | C05 | H3 | 119.4° | 120.0° |
| C04 | C03 | C05 | C06 | 88.6° | 90.0° |
| C03 | C04 | N02 | H1 | 33.4° | 0.0° |
| C04 | C03 | H2 | H3 | 121.7° | 120.0° |
| C03 | C04 | H4 | H5 | 119.6° | 120.0° |
| O13 | C11 | C08 | C06 | 178.8° | 179.7° |
| O13 | C11 | C08 | O14 | 1.5° | 0.3° |
| O13 | C11 | C09 | H8 | 1.0° | 0.3° |
| C11 | C08 | C06 | C05 | 1.1° | 0.0° |
| C11 | C08 | C06 | O14 | 179.7° | 180.0° |
| C11 | C08 | C06 | H6 | 178.9° | 180.0° |
| C08 | C11 | C09 | H8 | 179.0° | 180.0° |
| C08 | C11 | O13 | H12 | 0.1° | 90.0° |
| C11 | C08 | O14 | H13 | 180.0° | 89.9° |
| C03 | C05 | C06 | C08 | 178.6° | 180.0° |
| C05 | C03 | H2 | H3 | 121.7° | 120.0° |
| C05 | C03 | C04 | H4 | 40.0° | 60.0° |
| C05 | C03 | C04 | H5 | 79.8° | 60.0° |
| C03 | C05 | C06 | H6 | 1.4° | 0.1° |
| C03 | C05 | C07 | H7 | 1.4° | 0.0° |
| C05 | C06 | C08 | H6 | 180.0° | 179.9° |
| C05 | C06 | C08 | O14 | 178.6° | 180.0° |
| C06 | C05 | C03 | H2 | 30.9° | 30.0° |
| C06 | C05 | C03 | H3 | 152.0° | 150.0° |
| C06 | C05 | C07 | H7 | 179.4° | 180.0° |
| C06 | C08 | O14 | H13 | 0.2° | 90.1° |
| O14 | C08 | C06 | H6 | 1.4° | 0.0° |
| H1 | N02 | C04 | H4 | 153.5° | 120.0° |
| H1 | N02 | C04 | H5 | 86.7° | 120.0° |
| H2 | C03 | C04 | H4 | 159.4° | 180.0° |
| H2 | C03 | C04 | H5 | 39.6° | 60.0° |
| H3 | C03 | C04 | H4 | 79.5° | 60.0° |
| H3 | C03 | C04 | H5 | 160.8° | 180.0° |
| H7 | C07 | C09 | H8 | 0.7° | 0.0° |
| H9 | C12 | H10 | H11 | 119.9° | 120.0° |
