A1BVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | N14 | sing | 1.37Å | 1.39Å | |
| O13 | C12 | doub | 1.22Å | 1.21Å | |
| N14 | C12 | sing | 1.35Å | 1.46Å | |
| C12 | C09 | sing | 1.48Å | 1.47Å | |
| C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.44Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C08 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C03 | sing | 1.46Å | 1.45Å | Aromatic |
| C11 | C06 | doub | 1.41Å | 1.39Å | Aromatic |
| C02 | CL1 | sing | 1.80Å | 1.72Å | |
| C02 | C03 | sing | 1.51Å | 1.46Å | |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | N04 | doub | 1.30Å | 1.38Å | Aromatic |
| C06 | N05 | sing | 1.37Å | 1.43Å | Aromatic |
| N05 | N04 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 1.01Å | 1.00Å | |
| N15 | H151 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | N14 | C12 | 113.4° | 120.0° |
| N15 | N14 | H141 | 123.3° | 120.0° |
| N14 | N15 | H152 | 109.5° | 111.0° |
| N14 | N15 | H151 | 109.4° | 111.0° |
| O13 | C12 | N14 | 119.6° | 120.0° |
| O13 | C12 | C09 | 124.9° | 120.0° |
| N14 | C12 | C09 | 115.5° | 120.0° |
| C12 | N14 | H141 | 123.3° | 120.0° |
| C12 | C09 | C10 | 117.4° | 119.9° |
| C12 | C09 | C08 | 122.7° | 119.9° |
| C10 | C09 | C08 | 119.9° | 120.1° |
| C09 | C10 | C11 | 117.6° | 119.4° |
| C09 | C10 | H101 | 121.2° | 120.3° |
| C09 | C08 | C07 | 120.6° | 120.7° |
| C09 | C08 | H081 | 119.7° | 119.6° |
| C10 | C11 | C03 | 131.9° | 133.9° |
| C10 | C11 | C06 | 124.3° | 119.9° |
| C11 | C10 | H101 | 121.2° | 120.3° |
| C08 | C07 | C06 | 118.8° | 120.2° |
| C08 | C07 | H071 | 120.6° | 119.9° |
| C07 | C08 | H081 | 119.7° | 119.7° |
| C03 | C11 | C06 | 103.7° | 106.3° |
| C11 | C03 | C02 | 116.3° | 126.1° |
| C11 | C03 | N04 | 113.3° | 107.7° |
| C11 | C06 | C07 | 118.7° | 119.7° |
| C11 | C06 | N05 | 108.1° | 106.7° |
| CL1 | C02 | C03 | 97.8° | 109.5° |
| CL1 | C02 | H022 | 112.3° | 109.5° |
| CL1 | C02 | H021 | 112.3° | 109.5° |
| C02 | C03 | N04 | 130.3° | 126.2° |
| C03 | C02 | H022 | 112.3° | 109.4° |
| C03 | C02 | H021 | 112.3° | 109.5° |
| C07 | C06 | N05 | 133.2° | 133.6° |
| C06 | C07 | H071 | 120.6° | 119.9° |
| C03 | N04 | N05 | 103.7° | 110.2° |
| C06 | N05 | N04 | 111.1° | 109.2° |
| C06 | N05 | H051 | 124.4° | 125.4° |
| N04 | N05 | H051 | 124.4° | 125.4° |
| H022 | C02 | H021 | 109.4° | 109.4° |
| H152 | N15 | H151 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | N14 | C12 | O13 | 0.7° | 0.0° |
| N15 | N14 | C12 | H141 | 180.0° | 180.0° |
| N15 | N14 | C12 | C09 | 177.3° | 180.0° |
| N14 | N15 | H152 | H151 | 120.0° | 124.0° |
| O13 | C12 | N14 | C09 | 178.0° | 179.9° |
| O13 | C12 | C09 | C10 | 174.6° | 0.0° |
| O13 | C12 | C09 | C08 | 2.4° | 180.0° |
| O13 | C12 | N14 | H141 | 179.3° | 180.0° |
| N14 | C12 | C09 | C10 | 3.2° | 180.0° |
| N14 | C12 | C09 | C08 | 179.7° | 0.1° |
| C12 | N14 | N15 | H152 | 180.0° | 56.0° |
| C12 | N14 | N15 | H151 | 60.0° | 180.0° |
| C12 | C09 | C10 | C08 | 177.1° | 179.9° |
| C12 | C09 | C10 | C11 | 178.5° | 179.9° |
| C12 | C09 | C08 | C07 | 178.9° | 179.4° |
| C12 | C09 | C10 | H101 | 1.5° | 0.3° |
| C12 | C09 | C08 | H081 | 1.2° | 0.2° |
| C09 | C12 | N14 | H141 | 2.7° | 0.1° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C10 | C09 | C08 | C07 | 1.9° | 0.6° |
| C09 | C10 | C11 | C03 | 178.5° | 179.7° |
| C09 | C10 | C11 | C06 | 0.9° | 0.2° |
| C10 | C09 | C08 | H081 | 178.1° | 179.7° |
| C08 | C09 | C10 | C11 | 1.4° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.1° |
| C09 | C08 | C07 | C06 | 1.8° | 0.9° |
| C08 | C09 | C10 | H101 | 178.6° | 179.7° |
| C09 | C08 | C07 | H071 | 178.1° | 179.7° |
| C10 | C11 | C03 | C06 | 179.5° | 179.9° |
| C10 | C11 | C03 | C02 | 2.4° | 0.1° |
| C10 | C11 | C06 | C07 | 0.8° | 0.1° |
| C10 | C11 | C03 | N04 | 178.9° | 179.9° |
| C10 | C11 | C06 | N05 | 179.8° | 179.9° |
| C08 | C07 | C06 | C11 | 1.3° | 0.6° |
| C08 | C07 | C06 | H071 | 180.0° | 179.4° |
| C08 | C07 | C06 | N05 | 179.9° | 179.4° |
| C11 | C03 | C02 | CL1 | 166.4° | 90.0° |
| C11 | C03 | C02 | N04 | 178.4° | 180.0° |
| C03 | C11 | C06 | C07 | 178.7° | 180.0° |
| C03 | C11 | C06 | N05 | 0.2° | 0.0° |
| C11 | C03 | N04 | N05 | 1.1° | 0.0° |
| C03 | C11 | C10 | H101 | 1.5° | 0.1° |
| C11 | C03 | C02 | H022 | 48.4° | 30.0° |
| C11 | C03 | C02 | H021 | 75.5° | 149.9° |
| C06 | C11 | C03 | C02 | 178.1° | 180.0° |
| C11 | C06 | C07 | N05 | 178.6° | 180.0° |
| C06 | C11 | C03 | N04 | 0.6° | 0.0° |
| C11 | C06 | N05 | N04 | 1.0° | 0.0° |
| C06 | C11 | C10 | H101 | 179.1° | 180.0° |
| C11 | C06 | C07 | H071 | 178.7° | 180.0° |
| C11 | C06 | N05 | H051 | 179.0° | 179.9° |
| CL1 | C02 | C03 | H022 | 118.0° | 120.0° |
| CL1 | C02 | C03 | H021 | 118.1° | 120.0° |
| CL1 | C02 | C03 | N04 | 11.9° | 90.0° |
| CL1 | C02 | H022 | H021 | 125.4° | 120.0° |
| C02 | C03 | N04 | N05 | 177.3° | 180.0° |
| C03 | C02 | H022 | H021 | 125.4° | 120.0° |
| C07 | C06 | N05 | N04 | 177.8° | 180.0° |
| C06 | C07 | C08 | H081 | 178.2° | 180.0° |
| C07 | C06 | N05 | H051 | 2.2° | 0.1° |
| C03 | N04 | N05 | C06 | 1.2° | 0.0° |
| N04 | C03 | C02 | H022 | 130.0° | 150.0° |
| N04 | C03 | C02 | H021 | 106.1° | 30.1° |
| C03 | N04 | N05 | H051 | 178.8° | 179.9° |
| C06 | N05 | N04 | H051 | 180.0° | 179.9° |
| N05 | C06 | C07 | H071 | 0.1° | 0.0° |
| H071 | C07 | C08 | H081 | 1.9° | 0.6° |
| H141 | N14 | N15 | H152 | 0.0° | 124.0° |
| H141 | N14 | N15 | H151 | 120.0° | 0.0° |
