N7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N05 | doub | 1.30Å | 1.36Å | Aromatic |
| C06 | N02 | sing | 1.36Å | 1.36Å | Aromatic |
| N05 | C04 | sing | 1.36Å | 1.38Å | Aromatic |
| C01 | N02 | sing | 1.46Å | 1.53Å | |
| N02 | C03 | sing | 1.38Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.42Å | Aromatic |
| C04 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| C03 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| N08 | C07 | sing | 1.40Å | 1.43Å | |
| N08 | C09 | sing | 1.35Å | 1.39Å | |
| C07 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.47Å | 1.55Å | |
| C10 | C11 | doub | 1.33Å | 1.54Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | O12 | doub | 1.22Å | 1.24Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| N08 | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C06 | N02 | 112.2° | 110.1° |
| C06 | N05 | C04 | 105.8° | 109.6° |
| N05 | C06 | H4 | 123.9° | 125.0° |
| C06 | N02 | C01 | 129.6° | 126.4° |
| C06 | N02 | C03 | 106.2° | 107.3° |
| N02 | C06 | H4 | 123.9° | 124.9° |
| N05 | C04 | C03 | 107.3° | 107.0° |
| N05 | C04 | C07 | 133.2° | 133.6° |
| C01 | N02 | C03 | 124.2° | 126.3° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.4° | 109.5° |
| N02 | C03 | C04 | 108.4° | 106.0° |
| N02 | C03 | C15 | 130.5° | 134.1° |
| C03 | C04 | C07 | 119.4° | 119.4° |
| C04 | C03 | C15 | 121.1° | 119.9° |
| C04 | C07 | N08 | 117.8° | 120.2° |
| C04 | C07 | C13 | 118.9° | 119.6° |
| C03 | C15 | C14 | 119.0° | 120.0° |
| C03 | C15 | H13 | 120.5° | 120.0° |
| C07 | N08 | C09 | 126.3° | 120.0° |
| N08 | C07 | C13 | 123.3° | 120.2° |
| C07 | N08 | H5 | 116.9° | 120.0° |
| N08 | C09 | C10 | 113.0° | 120.0° |
| N08 | C09 | O12 | 127.2° | 120.0° |
| C09 | N08 | H5 | 116.9° | 119.9° |
| C07 | C13 | C14 | 121.6° | 120.4° |
| C07 | C13 | H11 | 119.2° | 119.8° |
| C09 | C10 | C11 | 122.1° | 120.0° |
| C10 | C09 | O12 | 119.7° | 120.0° |
| C09 | C10 | H6 | 118.9° | 120.0° |
| C11 | C10 | H6 | 119.0° | 120.1° |
| C10 | C11 | H8 | 120.0° | 120.1° |
| C10 | C11 | H9 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.1° | 120.5° |
| C15 | C14 | H12 | 119.9° | 119.7° |
| C14 | C15 | H13 | 120.5° | 120.0° |
| C14 | C13 | H11 | 119.2° | 119.8° |
| C13 | C14 | H12 | 120.0° | 119.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H8 | C11 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C06 | N02 | H4 | 180.0° | 179.5° |
| N05 | C06 | N02 | C01 | 179.0° | 179.8° |
| N05 | C06 | N02 | C03 | 0.9° | 0.5° |
| C06 | N05 | C04 | C03 | 2.1° | 0.3° |
| C06 | N05 | C04 | C07 | 177.5° | 179.7° |
| N02 | C06 | N05 | C04 | 1.9° | 0.5° |
| C06 | N02 | C01 | C03 | 180.0° | 179.7° |
| C06 | N02 | C03 | C04 | 0.4° | 0.3° |
| C06 | N02 | C03 | C15 | 179.9° | 179.7° |
| C06 | N02 | C01 | H1 | 180.0° | 90.3° |
| C06 | N02 | C01 | H2 | 60.0° | 29.7° |
| C06 | N02 | C01 | H3 | 60.0° | 149.7° |
| N05 | C04 | C03 | N02 | 1.6° | 0.0° |
| N05 | C04 | C03 | C07 | 179.6° | 180.0° |
| N05 | C04 | C03 | C15 | 178.9° | 180.0° |
| N05 | C04 | C07 | N08 | 1.3° | 0.0° |
| N05 | C04 | C07 | C13 | 178.8° | 180.0° |
| C04 | N05 | C06 | H4 | 178.1° | 180.0° |
| C01 | N02 | C03 | C04 | 179.6° | 180.0° |
| C01 | N02 | C03 | C15 | 0.2° | 0.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C06 | H4 | 0.9° | 0.2° |
| N02 | C03 | C04 | C15 | 179.5° | 180.0° |
| N02 | C03 | C04 | C07 | 178.0° | 180.0° |
| N02 | C03 | C15 | C14 | 178.8° | 180.0° |
| C03 | N02 | C01 | H1 | 0.0° | 90.0° |
| C03 | N02 | C01 | H2 | 120.0° | 150.0° |
| C03 | N02 | C01 | H3 | 120.0° | 30.0° |
| C03 | N02 | C06 | H4 | 179.1° | 180.0° |
| N02 | C03 | C15 | H13 | 1.1° | 0.0° |
| C03 | C04 | C07 | N08 | 179.2° | 180.0° |
| C03 | C04 | C07 | C13 | 1.7° | 0.0° |
| C04 | C03 | C15 | C14 | 0.5° | 0.0° |
| C04 | C03 | C15 | H13 | 179.5° | 180.0° |
| C07 | C04 | C03 | C15 | 1.5° | 0.0° |
| C04 | C07 | N08 | C13 | 177.4° | 180.0° |
| C04 | C07 | N08 | C09 | 167.4° | 155.1° |
| C04 | C07 | C13 | C14 | 1.1° | 0.1° |
| C04 | C07 | N08 | H5 | 12.7° | 24.9° |
| C04 | C07 | C13 | H11 | 179.0° | 180.0° |
| C03 | C15 | C14 | H13 | 180.0° | 180.0° |
| C03 | C15 | C14 | C13 | 0.1° | 0.0° |
| C03 | C15 | C14 | H12 | 179.8° | 179.9° |
| C07 | N08 | C09 | H5 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 178.7° | 174.5° |
| C07 | N08 | C09 | O12 | 3.2° | 5.5° |
| N08 | C07 | C13 | C14 | 178.5° | 180.0° |
| N08 | C07 | C13 | H11 | 1.6° | 0.0° |
| C09 | N08 | C07 | C13 | 10.1° | 24.8° |
| N08 | C09 | C10 | O12 | 178.3° | 180.0° |
| N08 | C09 | C10 | C11 | 176.3° | 180.0° |
| N08 | C09 | C10 | H6 | 3.7° | 0.0° |
| C07 | C13 | C14 | C15 | 0.1° | 0.1° |
| C07 | C13 | C14 | H11 | 180.0° | 179.9° |
| C13 | C07 | N08 | H5 | 169.9° | 155.1° |
| C07 | C13 | C14 | H12 | 179.9° | 180.0° |
| C09 | C10 | C11 | H6 | 180.0° | 180.0° |
| C10 | C09 | N08 | H5 | 1.3° | 5.5° |
| C09 | C10 | C11 | H8 | 180.0° | 0.0° |
| C09 | C10 | C11 | H9 | 0.0° | 180.0° |
| C11 | C10 | C09 | O12 | 2.0° | 0.0° |
| C10 | C11 | H8 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | H11 | 179.9° | 180.0° |
| O12 | C09 | N08 | H5 | 176.8° | 174.5° |
| O12 | C09 | C10 | H6 | 178.0° | 180.0° |
| C13 | C14 | C15 | H13 | 179.8° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C10 | C11 | H8 | 0.0° | 180.0° |
| H6 | C10 | C11 | H9 | 180.0° | 0.0° |
| H11 | C13 | C14 | H12 | 0.1° | 0.1° |
| H12 | C14 | C15 | H13 | 0.2° | 0.1° |
