9BP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | N1 | sing | 1.35Å | 1.37Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| C8 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C9 | sing | 1.51Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C9 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| C9 | OXT | sing | 1.34Å | 1.36Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C5 | C6 | 111.9° | 109.5° |
| C7 | C5 | C4 | 107.5° | 109.4° |
| C5 | C7 | H15 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.5° | 109.5° |
| C5 | C7 | H14 | 109.5° | 109.5° |
| C7 | C5 | H9 | 110.3° | 109.5° |
| C6 | C5 | C4 | 107.1° | 109.4° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H12 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.4° |
| C6 | C5 | H9 | 109.7° | 109.5° |
| C5 | C4 | N1 | 116.0° | 120.0° |
| C5 | C4 | O1 | 121.2° | 120.0° |
| C4 | C5 | H9 | 110.4° | 109.4° |
| N1 | C4 | O1 | 122.9° | 119.9° |
| C4 | N1 | C3 | 124.6° | 120.0° |
| C4 | N1 | H8 | 117.7° | 120.0° |
| N1 | C3 | C8 | 108.1° | 109.5° |
| N1 | C3 | C9 | 110.9° | 109.5° |
| N1 | C3 | C2 | 114.2° | 109.5° |
| C3 | N1 | H8 | 117.7° | 120.0° |
| C8 | C3 | C9 | 104.2° | 109.5° |
| C8 | C3 | C2 | 106.0° | 109.4° |
| C3 | C8 | H16 | 109.5° | 109.5° |
| C3 | C8 | H17 | 109.5° | 109.5° |
| C3 | C8 | H18 | 109.5° | 109.5° |
| C9 | C3 | C2 | 112.7° | 109.5° |
| C3 | C9 | O2 | 123.9° | 119.9° |
| C3 | C9 | OXT | 115.7° | 120.0° |
| C3 | C2 | C1 | 118.3° | 109.5° |
| C3 | C2 | H7 | 107.2° | 109.4° |
| C3 | C2 | H6 | 107.2° | 109.4° |
| O2 | C9 | OXT | 120.5° | 120.0° |
| C2 | C1 | N | 111.9° | 109.5° |
| C1 | C2 | H7 | 107.2° | 109.5° |
| C1 | C2 | H6 | 107.2° | 109.5° |
| C2 | C1 | H5 | 108.8° | 109.4° |
| C2 | C1 | H4 | 108.9° | 109.5° |
| N | C1 | H5 | 108.9° | 109.5° |
| N | C1 | H4 | 108.8° | 109.5° |
| C1 | N | H3 | 109.5° | 111.0° |
| C1 | N | H2 | 109.5° | 111.0° |
| H10 | C6 | H12 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C6 | H11 | 109.5° | 109.5° |
| H15 | C7 | H13 | 109.5° | 109.4° |
| H15 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H14 | 109.4° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H16 | C8 | H18 | 109.5° | 109.4° |
| H17 | C8 | H18 | 109.5° | 109.5° |
| H7 | C2 | H6 | 109.5° | 109.5° |
| H5 | C1 | H4 | 109.5° | 109.4° |
| H3 | N | H2 | 109.5° | 111.0° |
| C9 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C5 | C6 | C4 | 117.5° | 120.0° |
| C7 | C5 | C6 | H9 | 122.7° | 120.1° |
| C7 | C5 | C4 | H9 | 120.3° | 120.0° |
| C7 | C5 | C4 | N1 | 115.3° | 60.0° |
| C7 | C5 | C4 | O1 | 64.4° | 120.0° |
| C7 | C5 | C6 | H10 | 180.0° | 60.0° |
| C7 | C5 | C6 | H12 | 60.0° | 180.0° |
| C7 | C5 | C6 | H11 | 60.0° | 60.0° |
| C5 | C7 | H15 | H13 | 120.0° | 120.0° |
| C5 | C7 | H15 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.1° |
| C6 | C5 | C4 | H9 | 119.4° | 120.0° |
| C6 | C5 | C4 | N1 | 124.4° | 180.0° |
| C6 | C5 | C4 | O1 | 56.0° | 0.0° |
| C5 | C6 | H10 | H12 | 120.0° | 120.1° |
| C5 | C6 | H10 | H11 | 120.0° | 119.9° |
| C5 | C6 | H12 | H11 | 120.0° | 120.0° |
| C6 | C5 | C7 | H15 | 180.0° | 60.0° |
| C6 | C5 | C7 | H13 | 60.0° | 59.9° |
| C6 | C5 | C7 | H14 | 60.0° | 180.0° |
| C5 | C4 | N1 | O1 | 179.7° | 180.0° |
| C5 | C4 | N1 | C3 | 177.7° | 180.0° |
| C4 | C5 | C6 | H10 | 62.5° | 179.9° |
| C4 | C5 | C6 | H12 | 57.5° | 60.0° |
| C4 | C5 | C6 | H11 | 177.5° | 60.0° |
| C4 | C5 | C7 | H15 | 62.7° | 180.0° |
| C4 | C5 | C7 | H13 | 177.3° | 60.0° |
| C4 | C5 | C7 | H14 | 57.3° | 60.0° |
| C5 | C4 | N1 | H8 | 2.3° | 0.0° |
| C4 | N1 | C3 | H8 | 180.0° | 180.0° |
| C4 | N1 | C3 | C8 | 159.3° | 60.0° |
| C4 | N1 | C3 | C9 | 45.6° | 60.0° |
| C4 | N1 | C3 | C2 | 83.0° | 180.0° |
| N1 | C4 | C5 | H9 | 5.0° | 60.0° |
| O1 | C4 | N1 | C3 | 2.7° | 0.0° |
| O1 | C4 | N1 | H8 | 177.3° | 180.0° |
| O1 | C4 | C5 | H9 | 175.3° | 120.0° |
| N1 | C3 | C8 | C9 | 118.0° | 120.0° |
| N1 | C3 | C8 | C2 | 122.9° | 120.0° |
| N1 | C3 | C9 | C2 | 129.4° | 120.0° |
| N1 | C3 | C9 | O2 | 135.4° | 145.0° |
| N1 | C3 | C2 | C1 | 47.3° | 180.0° |
| N1 | C3 | C8 | H16 | 180.0° | 60.0° |
| N1 | C3 | C8 | H17 | 60.0° | 180.0° |
| N1 | C3 | C8 | H18 | 60.0° | 60.0° |
| N1 | C3 | C2 | H7 | 73.9° | 60.0° |
| N1 | C3 | C2 | H6 | 168.6° | 60.0° |
| N1 | C3 | C9 | OXT | 44.8° | 35.0° |
| C8 | C3 | C9 | C2 | 114.5° | 120.0° |
| C8 | C3 | C9 | O2 | 108.5° | 25.0° |
| C8 | C3 | C2 | C1 | 166.2° | 60.0° |
| C3 | C8 | H16 | H17 | 120.0° | 120.0° |
| C3 | C8 | H16 | H18 | 120.0° | 120.0° |
| C3 | C8 | H17 | H18 | 120.0° | 120.0° |
| C8 | C3 | N1 | H8 | 20.7° | 120.0° |
| C8 | C3 | C2 | H7 | 45.0° | 180.0° |
| C8 | C3 | C2 | H6 | 72.5° | 60.0° |
| C8 | C3 | C9 | OXT | 71.3° | 155.0° |
| C3 | C9 | O2 | OXT | 179.8° | 180.0° |
| C9 | C3 | C2 | C1 | 80.4° | 60.0° |
| C9 | C3 | C8 | H16 | 62.0° | 60.0° |
| C9 | C3 | C8 | H17 | 178.0° | 60.0° |
| C9 | C3 | C8 | H18 | 58.0° | 180.0° |
| C9 | C3 | N1 | H8 | 134.4° | 120.0° |
| C9 | C3 | C2 | H7 | 158.4° | 60.0° |
| C9 | C3 | C2 | H6 | 40.9° | 180.0° |
| C3 | C9 | OXT | HXT | 179.8° | 180.0° |
| C2 | C3 | C9 | O2 | 6.0° | 95.0° |
| C3 | C2 | C1 | H7 | 121.3° | 119.9° |
| C3 | C2 | C1 | H6 | 121.3° | 120.0° |
| C3 | C2 | C1 | N | 60.9° | 180.0° |
| C2 | C3 | C8 | H16 | 57.1° | 180.0° |
| C2 | C3 | C8 | H17 | 62.9° | 60.0° |
| C2 | C3 | C8 | H18 | 177.1° | 60.0° |
| C2 | C3 | N1 | H8 | 97.0° | 0.0° |
| C3 | C2 | H7 | H6 | 116.0° | 120.0° |
| C3 | C2 | C1 | H5 | 59.5° | 60.0° |
| C3 | C2 | C1 | H4 | 178.7° | 59.9° |
| C2 | C3 | C9 | OXT | 174.2° | 85.0° |
| O2 | C9 | OXT | HXT | 0.0° | 0.0° |
| C2 | C1 | N | H5 | 120.4° | 120.0° |
| C2 | C1 | N | H4 | 120.4° | 120.0° |
| C1 | C2 | H7 | H6 | 116.0° | 120.0° |
| C2 | C1 | H5 | H4 | 118.9° | 119.9° |
| C2 | C1 | N | H3 | 180.0° | 179.9° |
| C2 | C1 | N | H2 | 60.0° | 56.0° |
| N | C1 | C2 | H7 | 177.9° | 60.0° |
| N | C1 | C2 | H6 | 60.4° | 60.1° |
| N | C1 | H5 | H4 | 118.8° | 120.0° |
| C1 | N | H3 | H2 | 120.0° | 124.0° |
| H10 | C6 | H12 | H11 | 120.0° | 120.0° |
| H10 | C6 | C5 | H9 | 57.3° | 60.1° |
| H12 | C6 | C5 | H9 | 177.3° | 59.9° |
| H11 | C6 | C5 | H9 | 62.7° | 180.0° |
| H15 | C7 | H13 | H14 | 120.0° | 119.9° |
| H15 | C7 | C5 | H9 | 57.6° | 60.0° |
| H13 | C7 | C5 | H9 | 62.4° | 180.0° |
| H14 | C7 | C5 | H9 | 177.6° | 59.9° |
| H16 | C8 | H17 | H18 | 120.0° | 119.9° |
| H7 | C2 | C1 | H5 | 61.7° | 179.9° |
| H7 | C2 | C1 | H4 | 57.5° | 60.0° |
| H6 | C2 | C1 | H5 | 179.2° | 60.0° |
| H6 | C2 | C1 | H4 | 60.0° | 179.9° |
| H5 | C1 | N | H3 | 59.6° | 59.9° |
| H5 | C1 | N | H2 | 179.6° | 176.0° |
| H4 | C1 | N | H3 | 59.6° | 60.0° |
| H4 | C1 | N | H2 | 60.4° | 64.0° |
