DPT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| N1 | C1A | sing | 1.33Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.37Å | 1.35Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C4A | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C11 | sing | 1.51Å | 1.46Å | |
| C4A | C5 | doub | 1.41Å | 1.45Å | Aromatic |
| C4A | C1A | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C6A | doub | 1.41Å | 1.44Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C6A | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C6A | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 1.47Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | N10 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| N10 | C10 | sing | 1.33Å | 1.38Å | Aromatic |
| C10 | C1A | doub | 1.47Å | 1.43Å | Aromatic |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C1A | 117.8° | 121.3° |
| N1 | C2 | C3 | 122.9° | 121.5° |
| N1 | C2 | H2 | 115.8° | 119.2° |
| N1 | C1A | C4A | 122.6° | 120.2° |
| N1 | C1A | C10 | 117.3° | 121.3° |
| C3 | C2 | H2 | 121.3° | 119.3° |
| C2 | C3 | C4 | 119.6° | 119.8° |
| C2 | C3 | H3 | 122.3° | 120.0° |
| C4 | C3 | H3 | 118.1° | 120.1° |
| C3 | C4 | C4A | 120.3° | 118.3° |
| C3 | C4 | C11 | 118.7° | 120.8° |
| C4A | C4 | C11 | 121.0° | 120.9° |
| C4 | C4A | C5 | 125.2° | 121.0° |
| C4 | C4A | C1A | 116.8° | 118.8° |
| C4 | C11 | H111 | 118.7° | 109.4° |
| C4 | C11 | H112 | 108.9° | 109.5° |
| C4 | C11 | H113 | 108.9° | 109.5° |
| C5 | C4A | C1A | 118.0° | 120.2° |
| C4A | C5 | C6 | 121.5° | 121.2° |
| C4A | C5 | H5 | 122.8° | 119.4° |
| C4A | C1A | C10 | 120.1° | 118.5° |
| C6 | C5 | H5 | 115.7° | 119.4° |
| C5 | C6 | C6A | 121.4° | 121.3° |
| C5 | C6 | H6 | 115.9° | 119.3° |
| C6A | C6 | H6 | 122.7° | 119.4° |
| C6 | C6A | C7 | 124.1° | 121.1° |
| C6 | C6A | C10 | 118.6° | 120.2° |
| C7 | C6A | C10 | 117.3° | 118.8° |
| C6A | C7 | C8 | 120.5° | 118.3° |
| C6A | C7 | C12 | 120.8° | 120.8° |
| C6A | C10 | N10 | 122.9° | 120.3° |
| C6A | C10 | C1A | 120.3° | 118.5° |
| C8 | C7 | C12 | 118.8° | 120.9° |
| C7 | C8 | C9 | 118.6° | 119.9° |
| C7 | C8 | H8 | 119.5° | 120.1° |
| C7 | C12 | H121 | 120.8° | 109.4° |
| C7 | C12 | H122 | 108.2° | 109.5° |
| C7 | C12 | H123 | 108.2° | 109.5° |
| C9 | C8 | H8 | 121.9° | 120.0° |
| C8 | C9 | N10 | 123.6° | 121.5° |
| C8 | C9 | H9 | 120.7° | 119.3° |
| N10 | C9 | H9 | 115.7° | 119.2° |
| C9 | N10 | C10 | 117.1° | 121.3° |
| N10 | C10 | C1A | 116.8° | 121.2° |
| H111 | C11 | H112 | 108.9° | 109.5° |
| H111 | C11 | H113 | 108.9° | 109.4° |
| H112 | C11 | H113 | 101.1° | 109.6° |
| H121 | C12 | H122 | 108.2° | 109.5° |
| H121 | C12 | H123 | 108.2° | 109.5° |
| H122 | C12 | H123 | 101.7° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H2 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 0.6° | 0.0° |
| N1 | C2 | C3 | H3 | 179.4° | 179.9° |
| C2 | N1 | C1A | C4A | 0.1° | 0.2° |
| C2 | N1 | C1A | C10 | 179.9° | 180.0° |
| C1A | N1 | C2 | C3 | 0.3° | 0.1° |
| C1A | N1 | C2 | H2 | 179.7° | 180.0° |
| N1 | C1A | C4A | C4 | 0.1° | 0.5° |
| N1 | C1A | C4A | C5 | 179.8° | 180.0° |
| N1 | C1A | C4A | C10 | 180.0° | 179.8° |
| N1 | C1A | C10 | C6A | 179.9° | 179.8° |
| N1 | C1A | C10 | N10 | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C4A | 0.6° | 0.3° |
| C2 | C3 | C4 | C11 | 179.8° | 180.0° |
| H2 | C2 | C3 | C4 | 179.4° | 180.0° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| C3 | C4 | C4A | C11 | 179.5° | 179.7° |
| C3 | C4 | C4A | C5 | 179.9° | 180.0° |
| C3 | C4 | C4A | C1A | 0.4° | 0.5° |
| C3 | C4 | C11 | H111 | 180.0° | 90.0° |
| C3 | C4 | C11 | H112 | 54.7° | 150.1° |
| C3 | C4 | C11 | H113 | 54.7° | 29.9° |
| H3 | C3 | C4 | C4A | 179.3° | 179.8° |
| H3 | C3 | C4 | C11 | 0.2° | 0.0° |
| C4 | C4A | C5 | C1A | 179.7° | 179.5° |
| C4 | C4A | C5 | C6 | 179.9° | 179.5° |
| C4 | C4A | C5 | H5 | 0.1° | 0.5° |
| C4 | C4A | C1A | C10 | 179.9° | 179.7° |
| C4A | C4 | C11 | H111 | 0.5° | 90.3° |
| C4A | C4 | C11 | H112 | 125.7° | 29.7° |
| C4A | C4 | C11 | H113 | 124.8° | 149.8° |
| C11 | C4 | C4A | C5 | 0.4° | 0.3° |
| C11 | C4 | C4A | C1A | 180.0° | 179.7° |
| C4 | C11 | H111 | H112 | 125.3° | 119.9° |
| C4 | C11 | H111 | H113 | 125.3° | 119.9° |
| C4 | C11 | H112 | H113 | 114.6° | 120.1° |
| C4A | C5 | C6 | H5 | 180.0° | 180.0° |
| C4A | C5 | C6 | C6A | 0.3° | 0.1° |
| C4A | C5 | C6 | H6 | 179.7° | 179.9° |
| C5 | C4A | C1A | C10 | 0.2° | 0.2° |
| C1A | C4A | C5 | C6 | 0.3° | 0.0° |
| C1A | C4A | C5 | H5 | 179.7° | 180.0° |
| C4A | C1A | C10 | C6A | 0.1° | 0.4° |
| C4A | C1A | C10 | N10 | 179.8° | 179.9° |
| C5 | C6 | C6A | H6 | 180.0° | 179.9° |
| C5 | C6 | C6A | C7 | 179.6° | 179.9° |
| C5 | C6 | C6A | C10 | 0.2° | 0.1° |
| H5 | C5 | C6 | C6A | 179.7° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| C6 | C6A | C7 | C10 | 179.5° | 179.8° |
| C6 | C6A | C7 | C8 | 180.0° | 180.0° |
| C6 | C6A | C7 | C12 | 1.0° | 0.0° |
| C6 | C6A | C10 | N10 | 179.8° | 179.8° |
| C6 | C6A | C10 | C1A | 0.0° | 0.4° |
| H6 | C6 | C6A | C7 | 0.4° | 0.0° |
| H6 | C6 | C6A | C10 | 179.9° | 179.7° |
| C6A | C7 | C8 | C12 | 179.1° | 180.0° |
| C6A | C7 | C8 | C9 | 0.6° | 0.0° |
| C6A | C7 | C8 | H8 | 179.4° | 180.0° |
| C7 | C6A | C10 | N10 | 0.3° | 0.4° |
| C7 | C6A | C10 | C1A | 179.6° | 179.9° |
| C6A | C7 | C12 | H121 | 180.0° | 90.0° |
| C6A | C7 | C12 | H122 | 54.7° | 150.0° |
| C6A | C7 | C12 | H123 | 54.7° | 29.9° |
| C10 | C6A | C7 | C8 | 0.5° | 0.2° |
| C10 | C6A | C7 | C12 | 179.5° | 179.8° |
| C6A | C10 | N10 | C9 | 0.2° | 0.3° |
| C6A | C10 | N10 | C1A | 179.9° | 179.5° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | N10 | 0.5° | 0.0° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| C8 | C7 | C12 | H121 | 1.0° | 90.0° |
| C8 | C7 | C12 | H122 | 124.4° | 30.0° |
| C8 | C7 | C12 | H123 | 126.3° | 150.1° |
| C12 | C7 | C8 | C9 | 179.6° | 180.0° |
| C12 | C7 | C8 | H8 | 0.4° | 0.1° |
| C7 | C12 | H121 | H122 | 125.3° | 119.9° |
| C7 | C12 | H121 | H123 | 125.3° | 120.0° |
| C7 | C12 | H122 | H123 | 113.8° | 120.1° |
| C8 | C9 | N10 | H9 | 180.0° | 180.0° |
| C8 | C9 | N10 | C10 | 0.3° | 0.1° |
| H8 | C8 | C9 | N10 | 179.5° | 179.9° |
| H8 | C8 | C9 | H9 | 0.5° | 0.1° |
| C9 | N10 | C10 | C1A | 179.6° | 179.8° |
| H9 | C9 | N10 | C10 | 179.7° | 179.9° |
| H111 | C11 | H112 | H113 | 114.6° | 120.0° |
| H121 | C12 | H122 | H123 | 113.8° | 120.0° |
