BYX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | N12 | sing | 1.42Å | 1.39Å | |
| N12 | C11 | sing | 1.35Å | 1.44Å | |
| O14 | C11 | doub | 1.21Å | 1.19Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C05 | C02 | sing | 1.51Å | 1.52Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| N03 | O04 | sing | 1.42Å | 1.40Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| O13 | H2 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | N12 | C11 | 118.1° | 120.0° |
| O13 | N12 | H121 | 120.9° | 120.0° |
| N12 | O13 | H2 | 109.5° | 114.0° |
| N12 | C11 | O14 | 119.5° | 120.0° |
| N12 | C11 | C10 | 119.8° | 120.0° |
| C11 | N12 | H121 | 120.9° | 120.0° |
| O14 | C11 | C10 | 120.6° | 120.0° |
| C11 | C10 | C09 | 104.8° | 109.5° |
| C11 | C10 | H102 | 110.6° | 109.5° |
| C11 | C10 | H101 | 110.6° | 109.5° |
| C10 | C09 | C08 | 118.3° | 120.0° |
| C10 | C09 | C15 | 121.1° | 119.9° |
| C09 | C10 | H102 | 110.6° | 109.5° |
| C09 | C10 | H101 | 110.6° | 109.4° |
| C09 | C08 | C07 | 120.0° | 120.0° |
| C08 | C09 | C15 | 120.6° | 120.0° |
| C09 | C08 | H081 | 120.0° | 120.0° |
| C08 | C07 | C06 | 119.3° | 120.0° |
| C08 | C07 | H071 | 120.3° | 120.1° |
| C07 | C08 | H081 | 120.0° | 120.0° |
| C09 | C15 | C16 | 119.4° | 120.0° |
| C09 | C15 | H151 | 120.3° | 120.0° |
| C07 | C06 | C16 | 120.7° | 120.0° |
| C07 | C06 | C05 | 119.1° | 120.0° |
| C06 | C07 | H071 | 120.4° | 119.9° |
| C15 | C16 | C06 | 119.9° | 119.9° |
| C16 | C15 | H151 | 120.3° | 120.0° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| C16 | C06 | C05 | 120.1° | 120.0° |
| C06 | C16 | H161 | 120.0° | 120.0° |
| C06 | C05 | C02 | 114.7° | 109.5° |
| C06 | C05 | H051 | 108.1° | 109.5° |
| C06 | C05 | H052 | 108.2° | 109.5° |
| C05 | C02 | O01 | 122.5° | 120.0° |
| C05 | C02 | N03 | 117.9° | 120.0° |
| C02 | C05 | H051 | 108.2° | 109.5° |
| C02 | C05 | H052 | 108.1° | 109.5° |
| O01 | C02 | N03 | 119.7° | 120.0° |
| C02 | N03 | O04 | 118.9° | 120.0° |
| C02 | N03 | H031 | 120.5° | 120.0° |
| O04 | N03 | H031 | 120.6° | 120.0° |
| N03 | O04 | H1 | 109.5° | 114.0° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | N12 | C11 | H121 | 180.0° | 180.0° |
| O13 | N12 | C11 | O14 | 0.9° | 0.0° |
| O13 | N12 | C11 | C10 | 178.5° | 180.0° |
| N12 | C11 | O14 | C10 | 177.6° | 180.0° |
| N12 | C11 | C10 | C09 | 105.3° | 180.0° |
| N12 | C11 | C10 | H102 | 135.5° | 60.0° |
| N12 | C11 | C10 | H101 | 14.0° | 60.0° |
| C11 | N12 | O13 | H2 | 0.4° | 180.0° |
| O14 | C11 | C10 | C09 | 72.3° | 0.0° |
| O14 | C11 | C10 | H102 | 46.9° | 120.0° |
| O14 | C11 | C10 | H101 | 168.4° | 120.0° |
| O14 | C11 | N12 | H121 | 179.1° | 180.0° |
| C11 | C10 | C09 | H102 | 119.2° | 120.0° |
| C11 | C10 | C09 | H101 | 119.3° | 120.0° |
| C11 | C10 | C09 | C08 | 46.9° | 89.9° |
| C11 | C10 | C09 | C15 | 131.6° | 90.0° |
| C11 | C10 | H102 | H101 | 122.2° | 120.0° |
| C10 | C11 | N12 | H121 | 1.5° | 0.0° |
| C10 | C09 | C08 | C15 | 178.5° | 179.9° |
| C10 | C09 | C08 | C07 | 179.1° | 180.0° |
| C10 | C09 | C15 | C16 | 179.1° | 180.0° |
| C10 | C09 | C08 | H081 | 0.9° | 0.1° |
| C09 | C10 | H102 | H101 | 122.1° | 120.0° |
| C10 | C09 | C15 | H151 | 0.9° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C08 | C09 | C15 | C16 | 0.6° | 0.1° |
| C09 | C08 | C07 | H071 | 179.9° | 180.0° |
| C08 | C09 | C10 | H102 | 166.2° | 150.0° |
| C08 | C09 | C10 | H101 | 72.3° | 30.0° |
| C08 | C09 | C15 | H151 | 179.3° | 179.9° |
| C07 | C08 | C09 | C15 | 0.6° | 0.1° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | C16 | 0.5° | 0.0° |
| C08 | C07 | C06 | C05 | 179.7° | 179.7° |
| C09 | C15 | C16 | H151 | 180.0° | 180.0° |
| C09 | C15 | C16 | C06 | 0.1° | 0.0° |
| C15 | C09 | C08 | H081 | 179.4° | 180.0° |
| C15 | C09 | C10 | H102 | 12.3° | 30.1° |
| C15 | C09 | C10 | H101 | 109.2° | 150.0° |
| C09 | C15 | C16 | H161 | 179.9° | 179.8° |
| C07 | C06 | C16 | C15 | 0.5° | 0.0° |
| C07 | C06 | C16 | C05 | 179.2° | 179.7° |
| C07 | C06 | C05 | C02 | 98.4° | 89.7° |
| C07 | C06 | C05 | H051 | 22.4° | 150.3° |
| C07 | C06 | C05 | H052 | 140.9° | 30.3° |
| C06 | C07 | C08 | H081 | 179.9° | 179.9° |
| C07 | C06 | C16 | H161 | 179.5° | 179.8° |
| C15 | C16 | C06 | H161 | 180.0° | 179.8° |
| C15 | C16 | C06 | C05 | 179.6° | 179.7° |
| C16 | C06 | C05 | C02 | 82.4° | 90.0° |
| C16 | C06 | C05 | H051 | 156.8° | 30.0° |
| C16 | C06 | C05 | H052 | 38.3° | 150.0° |
| C16 | C06 | C07 | H071 | 179.5° | 180.0° |
| C06 | C16 | C15 | H151 | 179.9° | 180.0° |
| C06 | C05 | C02 | H051 | 120.8° | 120.0° |
| C06 | C05 | C02 | H052 | 120.8° | 120.0° |
| C06 | C05 | C02 | O01 | 21.4° | 0.0° |
| C06 | C05 | C02 | N03 | 158.6° | 179.7° |
| C06 | C05 | H051 | H052 | 117.6° | 120.0° |
| C05 | C06 | C07 | H071 | 0.3° | 0.2° |
| C05 | C06 | C16 | H161 | 0.3° | 0.0° |
| C05 | C02 | O01 | N03 | 180.0° | 179.7° |
| C05 | C02 | N03 | O04 | 179.2° | 179.7° |
| C05 | C02 | N03 | H031 | 0.8° | 0.3° |
| C02 | C05 | H051 | H052 | 117.6° | 120.0° |
| O01 | C02 | N03 | O04 | 0.8° | 0.0° |
| O01 | C02 | N03 | H031 | 179.2° | 180.0° |
| O01 | C02 | C05 | H051 | 99.3° | 120.0° |
| O01 | C02 | C05 | H052 | 142.2° | 120.0° |
| C02 | N03 | O04 | H031 | 180.0° | 180.0° |
| C02 | N03 | O04 | H1 | 0.3° | 180.0° |
| N03 | C02 | C05 | H051 | 80.6° | 60.3° |
| N03 | C02 | C05 | H052 | 37.8° | 59.7° |
| H031 | N03 | O04 | H1 | 179.7° | 0.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.1° |
| H121 | N12 | O13 | H2 | 179.6° | 0.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.2° |
