N99
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.33Å | 1.51Å | |
| C11 | C10 | sing | 1.47Å | 1.54Å | |
| N09 | C10 | sing | 1.35Å | 1.32Å | |
| N09 | C08 | sing | 1.40Å | 1.38Å | |
| C10 | O13 | doub | 1.22Å | 1.25Å | |
| N14 | C08 | doub | 1.32Å | 1.32Å | Aromatic |
| N14 | N02 | sing | 1.40Å | 1.33Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| N02 | C01 | sing | 1.36Å | 1.36Å | Aromatic |
| N02 | C03 | sing | 1.37Å | 1.35Å | Aromatic |
| C01 | C06 | doub | 1.35Å | 1.38Å | Aromatic |
| C07 | C03 | doub | 1.39Å | 1.36Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.41Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| N09 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 113.9° | 120.0° |
| C12 | C11 | H7 | 123.0° | 120.0° |
| C11 | C12 | H9 | 120.0° | 120.0° |
| C11 | C12 | H10 | 120.0° | 120.0° |
| C11 | C10 | N09 | 116.7° | 120.0° |
| C11 | C10 | O13 | 122.0° | 120.0° |
| C10 | C11 | H7 | 123.0° | 120.0° |
| C10 | N09 | C08 | 120.3° | 120.0° |
| N09 | C10 | O13 | 120.9° | 120.0° |
| C10 | N09 | H6 | 119.8° | 120.0° |
| N09 | C08 | N14 | 121.5° | 125.6° |
| N09 | C08 | C07 | 127.9° | 125.6° |
| C08 | N09 | H6 | 119.9° | 120.0° |
| C08 | N14 | N02 | 106.8° | 108.9° |
| N14 | C08 | C07 | 110.6° | 108.8° |
| N14 | N02 | C01 | 128.7° | 132.4° |
| N14 | N02 | C03 | 109.8° | 107.6° |
| C08 | C07 | C03 | 104.0° | 107.5° |
| C08 | C07 | H5 | 128.0° | 126.3° |
| C01 | N02 | C03 | 121.5° | 120.1° |
| N02 | C01 | C06 | 121.6° | 120.7° |
| N02 | C01 | H1 | 119.2° | 119.6° |
| N02 | C03 | C07 | 108.7° | 107.2° |
| N02 | C03 | C04 | 119.9° | 120.0° |
| C01 | C06 | C05 | 117.4° | 120.4° |
| C06 | C01 | H1 | 119.2° | 119.7° |
| C01 | C06 | H4 | 121.3° | 119.8° |
| C07 | C03 | C04 | 131.3° | 132.8° |
| C03 | C07 | H5 | 128.0° | 126.2° |
| C03 | C04 | C05 | 118.7° | 119.2° |
| C03 | C04 | H2 | 120.6° | 120.4° |
| C06 | C05 | C04 | 120.9° | 119.6° |
| C06 | C05 | H3 | 119.6° | 120.2° |
| C05 | C06 | H4 | 121.3° | 119.8° |
| C05 | C04 | H2 | 120.7° | 120.4° |
| C04 | C05 | H3 | 119.5° | 120.2° |
| H9 | C12 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | N09 | 93.4° | 180.0° |
| C12 | C11 | C10 | O13 | 93.3° | 0.0° |
| C11 | C12 | H9 | H10 | 180.0° | 179.9° |
| C11 | C10 | N09 | O13 | 173.4° | 180.0° |
| C11 | C10 | N09 | C08 | 158.9° | 180.0° |
| C11 | C10 | N09 | H6 | 21.1° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 0.0° |
| C10 | C11 | C12 | H10 | 0.0° | 180.0° |
| C10 | N09 | C08 | H6 | 180.0° | 180.0° |
| C10 | N09 | C08 | N14 | 168.4° | 179.9° |
| C10 | N09 | C08 | C07 | 11.9° | 0.1° |
| N09 | C10 | C11 | H7 | 86.6° | 0.0° |
| C08 | N09 | C10 | O13 | 27.7° | 0.0° |
| N09 | C08 | N14 | C07 | 179.7° | 179.9° |
| N09 | C08 | N14 | N02 | 179.0° | 179.9° |
| N09 | C08 | C07 | C03 | 179.5° | 179.9° |
| N09 | C08 | C07 | H5 | 0.5° | 0.1° |
| O13 | C10 | N09 | H6 | 152.3° | 180.0° |
| O13 | C10 | C11 | H7 | 86.7° | 180.0° |
| C08 | N14 | N02 | C01 | 179.2° | 180.0° |
| C08 | N14 | N02 | C03 | 1.3° | 0.0° |
| N14 | C08 | C07 | C03 | 0.8° | 0.0° |
| N14 | C08 | C07 | H5 | 179.2° | 180.0° |
| N14 | C08 | N09 | H6 | 11.6° | 0.1° |
| N02 | N14 | C08 | C07 | 1.3° | 0.0° |
| N14 | N02 | C01 | C03 | 179.4° | 180.0° |
| N14 | N02 | C01 | C06 | 179.1° | 180.0° |
| N14 | N02 | C03 | C07 | 0.8° | 0.0° |
| N14 | N02 | C03 | C04 | 179.2° | 179.9° |
| N14 | N02 | C01 | H1 | 0.9° | 0.3° |
| C08 | C07 | C03 | N02 | 0.0° | 0.0° |
| C08 | C07 | C03 | H5 | 180.0° | 179.9° |
| C08 | C07 | C03 | C04 | 180.0° | 179.9° |
| C07 | C08 | N09 | H6 | 168.1° | 180.0° |
| N02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C01 | N02 | C03 | C07 | 179.7° | 180.0° |
| C01 | N02 | C03 | C04 | 0.3° | 0.0° |
| N02 | C01 | C06 | C05 | 0.4° | 0.0° |
| N02 | C01 | C06 | H4 | 179.6° | 179.8° |
| C03 | N02 | C01 | C06 | 0.4° | 0.0° |
| N02 | C03 | C07 | C04 | 180.0° | 179.9° |
| N02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | N02 | C01 | H1 | 179.6° | 179.7° |
| N02 | C03 | C04 | H2 | 179.8° | 180.0° |
| N02 | C03 | C07 | H5 | 180.0° | 180.0° |
| C01 | C06 | C05 | H4 | 180.0° | 179.8° |
| C01 | C06 | C05 | C04 | 0.3° | 0.0° |
| C01 | C06 | C05 | H3 | 179.7° | 180.0° |
| C07 | C03 | C04 | C05 | 179.7° | 179.9° |
| C07 | C03 | C04 | H2 | 0.3° | 0.1° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | H2 | 180.0° | 179.9° |
| C03 | C04 | C05 | H3 | 179.7° | 180.0° |
| C04 | C03 | C07 | H5 | 0.0° | 0.1° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C05 | C06 | C01 | H1 | 179.6° | 179.8° |
| C06 | C05 | C04 | H2 | 179.7° | 179.9° |
| C04 | C05 | C06 | H4 | 179.7° | 179.8° |
| H1 | C01 | C06 | H4 | 0.4° | 0.1° |
| H2 | C04 | C05 | H3 | 0.2° | 0.0° |
| H3 | C05 | C06 | H4 | 0.3° | 0.2° |
| H7 | C11 | C12 | H9 | 0.0° | 179.9° |
| H7 | C11 | C12 | H10 | 180.0° | 0.0° |
