00T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C32 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | N33 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.79Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | HN19 | sing | 1.01Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| N33 | HN33 | sing | 1.01Å | 1.00Å | |
| N33 | HN3A | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N19 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C10 | C6 | 109.4° | 109.5° |
| C10 | N19 | HN19 | 109.5° | 111.0° |
| N19 | C10 | H10 | 109.5° | 109.5° |
| N19 | C10 | H10A | 109.5° | 109.5° |
| C10 | N19 | H2 | 109.4° | 111.0° |
| C10 | C6 | C5 | 120.0° | 120.0° |
| C10 | C6 | C7 | 120.0° | 120.0° |
| C6 | C10 | H10 | 109.5° | 109.5° |
| C6 | C10 | H10A | 109.5° | 109.5° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C6 | C5 | C32 | 120.0° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.0° |
| C6 | C7 | C2 | 120.0° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C32 | C5 | C4 | 119.9° | 120.0° |
| C5 | C32 | N33 | 102.8° | 109.5° |
| C5 | C32 | H32 | 111.7° | 109.5° |
| C5 | C32 | H32A | 111.7° | 109.5° |
| C5 | C4 | C3 | 120.0° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| N33 | C32 | H32 | 111.7° | 109.5° |
| N33 | C32 | H32A | 111.8° | 109.5° |
| C32 | N33 | HN33 | 109.5° | 111.0° |
| C32 | N33 | HN3A | 109.5° | 111.0° |
| C4 | C3 | C2 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C2 | CL1 | 120.0° | 120.0° |
| C3 | C2 | C7 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| CL1 | C2 | C7 | 120.0° | 120.0° |
| C2 | C7 | H7 | 120.0° | 120.0° |
| HN19 | N19 | H2 | 109.5° | 111.1° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H32 | C32 | H32A | 107.1° | 109.4° |
| HN33 | N33 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C10 | C6 | H10 | 120.0° | 120.0° |
| N19 | C10 | C6 | H10A | 120.0° | 120.0° |
| N19 | C10 | C6 | C5 | 103.6° | 80.0° |
| N19 | C10 | C6 | C7 | 76.5° | 100.3° |
| C10 | N19 | HN19 | H2 | 120.0° | 123.9° |
| N19 | C10 | H10 | H10A | 120.0° | 120.0° |
| C10 | C6 | C5 | C7 | 180.0° | 179.7° |
| C10 | C6 | C5 | C32 | 0.0° | 0.1° |
| C10 | C6 | C5 | C4 | 180.0° | 180.0° |
| C10 | C6 | C7 | C2 | 179.9° | 179.8° |
| C6 | C10 | N19 | HN19 | 180.0° | 56.0° |
| C6 | C10 | H10 | H10A | 120.0° | 120.0° |
| C10 | C6 | C7 | H7 | 0.1° | 0.0° |
| C6 | C10 | N19 | H2 | 60.0° | 180.0° |
| C6 | C5 | C32 | C4 | 180.0° | 180.0° |
| C6 | C5 | C32 | N33 | 85.4° | 80.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.5° |
| C5 | C6 | C10 | H10 | 136.4° | 40.0° |
| C5 | C6 | C10 | H10A | 16.4° | 159.9° |
| C6 | C5 | C32 | H32 | 154.6° | 159.9° |
| C6 | C5 | C32 | H32A | 34.6° | 40.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 180.0° | 179.7° |
| C7 | C6 | C5 | C32 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 0.0° | 0.3° |
| C6 | C7 | C2 | C3 | 0.0° | 0.5° |
| C6 | C7 | C2 | CL1 | 180.0° | 179.7° |
| C6 | C7 | C2 | H7 | 180.0° | 179.8° |
| C7 | C6 | C10 | H10 | 43.5° | 139.7° |
| C7 | C6 | C10 | H10A | 163.5° | 19.7° |
| C5 | C32 | N33 | H32 | 120.0° | 120.0° |
| C5 | C32 | N33 | H32A | 120.0° | 120.0° |
| C32 | C5 | C4 | C3 | 180.0° | 180.0° |
| C5 | C32 | H32 | H32A | 122.7° | 120.0° |
| C5 | C32 | N33 | HN33 | 180.0° | 56.1° |
| C5 | C32 | N33 | HN3A | 60.0° | 180.0° |
| C32 | C5 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C32 | N33 | 94.6° | 100.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C32 | H32 | 25.4° | 20.0° |
| C4 | C5 | C32 | H32A | 145.4° | 140.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| N33 | C32 | H32 | H32A | 122.7° | 120.0° |
| C32 | N33 | HN33 | HN3A | 120.0° | 123.9° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | CL1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.0° | 0.2° |
| C3 | C2 | CL1 | C7 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C7 | H7 | 180.0° | 179.7° |
| CL1 | C2 | C3 | H3 | 0.1° | 0.0° |
| CL1 | C2 | C7 | H7 | 0.0° | 0.1° |
| C7 | C2 | C3 | H3 | 180.0° | 179.8° |
| HN19 | N19 | C10 | H10 | 60.0° | 176.0° |
| HN19 | N19 | C10 | H10A | 60.0° | 64.0° |
| H10 | C10 | N19 | H2 | 60.0° | 60.0° |
| H10A | C10 | N19 | H2 | 180.0° | 60.0° |
| H32 | C32 | N33 | HN33 | 60.0° | 63.9° |
| H32 | C32 | N33 | HN3A | 180.0° | 60.0° |
| H32A | C32 | N33 | HN33 | 60.0° | 176.1° |
| H32A | C32 | N33 | HN3A | 60.0° | 60.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
