BNN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.38Å | |
| N | C11 | sing | 1.35Å | 1.27Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.47Å | |
| CA | C7 | sing | 1.53Å | 1.60Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 1.29Å | |
| O1 | C11 | doub | 1.21Å | 1.40Å | |
| CH | C11 | sing | 1.51Å | 1.55Å | |
| CH | HH11 | sing | 1.09Å | 1.10Å | |
| CH | HH12 | sing | 1.09Å | 1.10Å | |
| CH | HH13 | sing | 1.09Å | 1.10Å | |
| N16 | C15 | sing | 1.38Å | 1.22Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N16 | H162 | sing | 0.97Å | 1.00Å | |
| N17 | C15 | doub | 1.30Å | 1.26Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | doub | 1.38Å | 1.48Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.37Å | |
| C2 | C3 | sing | 1.38Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | C15 | sing | 1.48Å | 1.40Å | |
| C5 | C6 | doub | 1.38Å | 1.34Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C11 | 118.6° | 120.0° |
| CA | N | H | 120.7° | 120.0° |
| N | CA | C | 106.3° | 109.5° |
| N | CA | C7 | 110.2° | 109.5° |
| N | CA | HA | 110.6° | 109.5° |
| C11 | N | H | 120.7° | 120.0° |
| N | C11 | O1 | 116.7° | 120.1° |
| N | C11 | CH | 123.1° | 120.0° |
| C | CA | C7 | 108.2° | 109.5° |
| C | CA | HA | 112.6° | 109.5° |
| CA | C | O | 117.3° | 120.0° |
| CA | C | OXT | 118.8° | 120.0° |
| C7 | CA | HA | 108.9° | 109.4° |
| CA | C7 | C1 | 113.7° | 109.5° |
| CA | C7 | H71 | 108.1° | 109.5° |
| CA | C7 | H72 | 108.1° | 109.5° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O1 | C11 | CH | 119.9° | 119.9° |
| C11 | CH | HH11 | 109.5° | 109.4° |
| C11 | CH | HH12 | 109.5° | 109.5° |
| C11 | CH | HH13 | 109.5° | 109.5° |
| HH11 | CH | HH12 | 109.4° | 109.4° |
| HH11 | CH | HH13 | 109.5° | 109.5° |
| HH12 | CH | HH13 | 109.5° | 109.5° |
| C15 | N16 | H161 | 120.0° | 120.0° |
| C15 | N16 | H162 | 120.0° | 120.0° |
| N16 | C15 | N17 | 119.9° | 120.0° |
| N16 | C15 | C4 | 119.3° | 120.0° |
| H161 | N16 | H162 | 120.0° | 120.0° |
| C15 | N17 | H17 | 112.0° | 120.0° |
| N17 | C15 | C4 | 120.8° | 120.0° |
| C2 | C1 | C6 | 122.3° | 120.3° |
| C2 | C1 | C7 | 115.6° | 119.9° |
| C1 | C2 | C3 | 117.4° | 120.1° |
| C1 | C2 | H2 | 121.3° | 120.0° |
| C6 | C1 | C7 | 122.1° | 119.8° |
| C1 | C6 | C5 | 117.6° | 120.1° |
| C1 | C6 | H6 | 121.2° | 120.0° |
| C1 | C7 | H71 | 108.1° | 109.4° |
| C1 | C7 | H72 | 108.1° | 109.5° |
| C3 | C2 | H2 | 121.3° | 119.9° |
| C2 | C3 | C4 | 120.1° | 119.9° |
| C2 | C3 | H3 | 119.9° | 120.1° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 122.0° | 119.7° |
| C3 | C4 | C15 | 118.3° | 120.1° |
| C5 | C4 | C15 | 119.7° | 120.2° |
| C4 | C5 | C6 | 120.6° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.1° |
| C5 | C6 | H6 | 121.2° | 119.9° |
| H71 | C7 | H72 | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C11 | H | 180.0° | 179.7° |
| N | CA | C | C7 | 118.4° | 120.0° |
| N | CA | C | HA | 121.3° | 120.0° |
| N | CA | C7 | HA | 121.5° | 120.0° |
| N | CA | C | O | 163.6° | 0.0° |
| N | CA | C | OXT | 23.0° | 180.0° |
| CA | N | C11 | O1 | 19.1° | 0.0° |
| CA | N | C11 | CH | 154.9° | 180.0° |
| N | CA | C7 | C1 | 160.5° | 65.0° |
| N | CA | C7 | H71 | 79.5° | 54.9° |
| N | CA | C7 | H72 | 40.5° | 175.0° |
| C11 | N | CA | C | 106.2° | 85.0° |
| C11 | N | CA | C7 | 136.7° | 155.0° |
| C11 | N | CA | HA | 16.3° | 35.0° |
| N | C11 | O1 | CH | 174.2° | 180.0° |
| N | C11 | CH | HH11 | 173.8° | 0.0° |
| N | C11 | CH | HH12 | 66.2° | 120.0° |
| N | C11 | CH | HH13 | 53.8° | 120.0° |
| H | N | CA | C | 73.8° | 94.8° |
| H | N | CA | C7 | 43.3° | 25.2° |
| H | N | CA | HA | 163.7° | 145.2° |
| H | N | C11 | O1 | 160.9° | 179.8° |
| H | N | C11 | CH | 25.1° | 0.3° |
| C | CA | C7 | HA | 122.6° | 120.0° |
| CA | C | O | OXT | 173.0° | 179.9° |
| C | CA | C7 | C1 | 44.6° | 175.0° |
| C | CA | C7 | H71 | 164.6° | 65.1° |
| C | CA | C7 | H72 | 75.4° | 55.0° |
| CA | C | OXT | HXT | 172.9° | 180.0° |
| C7 | CA | C | O | 78.0° | 120.0° |
| C7 | CA | C | OXT | 95.4° | 59.9° |
| CA | C7 | C1 | C2 | 79.6° | 89.9° |
| CA | C7 | C1 | C6 | 103.1° | 90.2° |
| CA | C7 | C1 | H71 | 120.0° | 120.0° |
| CA | C7 | C1 | H72 | 120.0° | 120.0° |
| CA | C7 | H71 | H72 | 118.3° | 120.1° |
| HA | CA | C | O | 42.4° | 120.0° |
| HA | CA | C | OXT | 144.3° | 60.0° |
| HA | CA | C7 | C1 | 78.1° | 55.0° |
| HA | CA | C7 | H71 | 41.9° | 175.0° |
| HA | CA | C7 | H72 | 161.9° | 65.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| O1 | C11 | CH | HH11 | 0.0° | 179.9° |
| O1 | C11 | CH | HH12 | 120.0° | 60.0° |
| O1 | C11 | CH | HH13 | 120.0° | 60.1° |
| C11 | CH | HH11 | HH12 | 120.0° | 120.0° |
| C11 | CH | HH11 | HH13 | 120.0° | 120.0° |
| C11 | CH | HH12 | HH13 | 120.0° | 120.1° |
| HH11 | CH | HH12 | HH13 | 120.0° | 120.0° |
| C15 | N16 | H161 | H162 | 180.0° | 179.9° |
| N16 | C15 | N17 | C4 | 179.6° | 180.0° |
| N16 | C15 | N17 | H17 | 179.6° | 180.0° |
| N16 | C15 | C4 | C3 | 179.3° | 180.0° |
| N16 | C15 | C4 | C5 | 0.3° | 0.0° |
| H161 | N16 | C15 | N17 | 179.6° | 0.1° |
| H161 | N16 | C15 | C4 | 0.0° | 180.0° |
| H162 | N16 | C15 | N17 | 0.4° | 180.0° |
| H162 | N16 | C15 | C4 | 180.0° | 0.1° |
| N17 | C15 | C4 | C3 | 0.3° | 0.0° |
| N17 | C15 | C4 | C5 | 179.3° | 180.0° |
| H17 | N17 | C15 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C7 | 177.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | H3 | 179.4° | 180.0° |
| C2 | C1 | C6 | C5 | 3.8° | 0.1° |
| C2 | C1 | C6 | H6 | 176.2° | 180.0° |
| C2 | C1 | C7 | H71 | 160.4° | 30.1° |
| C2 | C1 | C7 | H72 | 40.4° | 150.0° |
| C6 | C1 | C2 | C3 | 2.1° | 0.0° |
| C6 | C1 | C2 | H2 | 177.9° | 180.0° |
| C1 | C6 | C5 | C4 | 2.9° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 177.1° | 180.0° |
| C6 | C1 | C7 | H71 | 16.9° | 149.8° |
| C6 | C1 | C7 | H72 | 136.8° | 29.8° |
| C7 | C1 | C2 | C3 | 179.3° | 179.8° |
| C7 | C1 | C2 | H2 | 0.7° | 0.2° |
| C7 | C1 | C6 | C5 | 179.2° | 179.8° |
| C7 | C1 | C6 | H6 | 0.8° | 0.2° |
| C1 | C7 | H71 | H72 | 118.3° | 119.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C2 | C3 | C4 | C15 | 179.6° | 180.0° |
| H2 | C2 | C3 | C4 | 179.4° | 180.0° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| C3 | C4 | C5 | C15 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| H3 | C3 | C4 | C5 | 178.5° | 180.0° |
| H3 | C3 | C4 | C15 | 0.5° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 177.1° | 179.9° |
| C15 | C4 | C5 | C6 | 178.6° | 180.0° |
| C15 | C4 | C5 | H5 | 1.4° | 0.1° |
| H5 | C5 | C6 | H6 | 2.9° | 0.0° |
