A1BNP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | S11 | doub | 1.42Å | 1.44Å | |
| C7 | N6 | sing | 1.46Å | 1.46Å | |
| S11 | O13 | doub | 1.42Å | 1.44Å | |
| S11 | C14 | sing | 1.83Å | 1.79Å | |
| S11 | C10 | sing | 1.83Å | 1.78Å | |
| C14 | C8 | sing | 1.54Å | 1.53Å | |
| N6 | C8 | sing | 1.47Å | 1.48Å | |
| N6 | C4 | sing | 1.35Å | 1.39Å | |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C4 | sing | 1.35Å | 1.36Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| C4 | O5 | doub | 1.22Å | 1.22Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | S11 | O13 | 117.7° | 119.9° |
| O12 | S11 | C14 | 110.5° | 109.3° |
| O12 | S11 | C10 | 109.8° | 109.5° |
| C7 | N6 | C8 | 117.5° | 120.0° |
| C7 | N6 | C4 | 123.3° | 120.0° |
| N6 | C7 | H1 | 109.5° | 109.4° |
| N6 | C7 | H2 | 109.5° | 109.5° |
| N6 | C7 | H3 | 109.5° | 109.5° |
| O13 | S11 | C14 | 109.5° | 109.4° |
| O13 | S11 | C10 | 111.7° | 109.3° |
| C14 | S11 | C10 | 95.4° | 97.0° |
| S11 | C14 | C8 | 109.0° | 105.1° |
| S11 | C14 | H15 | 109.6° | 110.3° |
| S11 | C14 | H16 | 109.6° | 110.4° |
| S11 | C10 | C9 | 102.9° | 102.5° |
| S11 | C10 | H13 | 111.1° | 110.8° |
| S11 | C10 | H14 | 111.1° | 111.0° |
| C14 | C8 | N6 | 111.5° | 109.5° |
| C14 | C8 | C9 | 106.8° | 108.7° |
| C14 | C8 | H4 | 107.3° | 109.7° |
| C8 | C14 | H15 | 109.6° | 110.2° |
| C8 | C14 | H16 | 109.6° | 110.3° |
| C8 | N6 | C4 | 119.1° | 120.0° |
| N6 | C8 | C9 | 115.8° | 109.7° |
| N6 | C8 | H4 | 107.9° | 109.6° |
| N6 | C4 | N2 | 118.7° | 120.0° |
| N6 | C4 | O5 | 121.4° | 120.0° |
| C10 | C9 | C8 | 109.0° | 106.6° |
| C10 | C9 | H5 | 109.6° | 110.1° |
| C10 | C9 | H6 | 109.6° | 110.0° |
| C9 | C10 | H13 | 111.1° | 110.7° |
| C9 | C10 | H14 | 111.1° | 110.8° |
| C9 | C8 | H4 | 107.1° | 109.7° |
| C8 | C9 | H5 | 109.6° | 110.1° |
| C8 | C9 | H6 | 109.6° | 110.0° |
| C1 | N2 | C4 | 125.7° | 120.0° |
| C1 | N2 | C3 | 113.6° | 120.0° |
| N2 | C1 | H7 | 109.5° | 109.5° |
| N2 | C1 | H8 | 109.5° | 109.5° |
| N2 | C1 | H9 | 109.5° | 109.5° |
| C4 | N2 | C3 | 120.6° | 120.0° |
| N2 | C4 | O5 | 119.8° | 120.0° |
| N2 | C3 | H10 | 109.5° | 109.5° |
| N2 | C3 | H11 | 109.5° | 109.4° |
| N2 | C3 | H12 | 109.5° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H1 | C7 | H3 | 109.4° | 109.4° |
| H2 | C7 | H3 | 109.4° | 109.5° |
| H5 | C9 | H6 | 109.4° | 110.0° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.4° |
| H10 | C3 | H12 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 110.7° |
| H15 | C14 | H16 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | S11 | O13 | C14 | 127.3° | 127.3° |
| O12 | S11 | O13 | C10 | 128.3° | 127.5° |
| O12 | S11 | C14 | C10 | 113.5° | 113.5° |
| O12 | S11 | C14 | C8 | 101.9° | 115.7° |
| O12 | S11 | C10 | C9 | 82.9° | 90.2° |
| O12 | S11 | C10 | H13 | 158.2° | 28.0° |
| O12 | S11 | C10 | H14 | 36.0° | 151.5° |
| O12 | S11 | C14 | H15 | 18.1° | 125.5° |
| O12 | S11 | C14 | H16 | 138.2° | 3.3° |
| C7 | N6 | C8 | C14 | 71.2° | 60.8° |
| C7 | N6 | C8 | C4 | 175.9° | 179.9° |
| C7 | N6 | C8 | C9 | 51.2° | 58.4° |
| C7 | N6 | C4 | N2 | 24.4° | 158.8° |
| C7 | N6 | C4 | O5 | 157.6° | 21.1° |
| N6 | C7 | H1 | H2 | 120.0° | 120.0° |
| N6 | C7 | H1 | H3 | 120.0° | 120.0° |
| N6 | C7 | H2 | H3 | 120.0° | 120.1° |
| C7 | N6 | C8 | H4 | 171.2° | 178.9° |
| O13 | S11 | C14 | C10 | 115.3° | 113.4° |
| O13 | S11 | C14 | C8 | 127.0° | 111.2° |
| O13 | S11 | C10 | C9 | 144.7° | 136.6° |
| O13 | S11 | C10 | H13 | 25.7° | 105.2° |
| O13 | S11 | C10 | H14 | 96.4° | 18.3° |
| O13 | S11 | C14 | H15 | 113.1° | 7.6° |
| O13 | S11 | C14 | H16 | 7.0° | 129.8° |
| S11 | C14 | C8 | H15 | 119.9° | 118.8° |
| S11 | C14 | C8 | H16 | 119.9° | 119.0° |
| S11 | C14 | C8 | N6 | 139.2° | 147.7° |
| C14 | S11 | C10 | C9 | 31.2° | 23.2° |
| S11 | C14 | C8 | C9 | 11.8° | 28.0° |
| S11 | C14 | C8 | H4 | 102.8° | 92.0° |
| C14 | S11 | C10 | H13 | 87.7° | 141.4° |
| C14 | S11 | C10 | H14 | 150.1° | 95.1° |
| S11 | C14 | H15 | H16 | 120.2° | 122.3° |
| C10 | S11 | C14 | C8 | 11.7° | 2.2° |
| S11 | C10 | C9 | H13 | 118.9° | 118.3° |
| S11 | C10 | C9 | H14 | 118.9° | 118.5° |
| S11 | C10 | C9 | C8 | 43.2° | 42.5° |
| S11 | C10 | C9 | H5 | 163.1° | 76.9° |
| S11 | C10 | C9 | H6 | 76.8° | 161.7° |
| S11 | C10 | H13 | H14 | 123.0° | 123.6° |
| C10 | S11 | C14 | H15 | 131.6° | 121.0° |
| C10 | S11 | C14 | H16 | 108.3° | 116.8° |
| C14 | C8 | N6 | C9 | 122.4° | 119.2° |
| C14 | C8 | N6 | H4 | 117.6° | 120.3° |
| C14 | C8 | N6 | C4 | 104.7° | 119.3° |
| C14 | C8 | C9 | C10 | 35.9° | 47.2° |
| C14 | C8 | C9 | H4 | 114.7° | 119.9° |
| C14 | C8 | C9 | H5 | 155.9° | 72.1° |
| C14 | C8 | C9 | H6 | 84.1° | 166.6° |
| C8 | C14 | H15 | H16 | 120.2° | 122.2° |
| N6 | C8 | C9 | C10 | 160.8° | 166.9° |
| N6 | C8 | C9 | H4 | 120.4° | 120.4° |
| C8 | N6 | C4 | N2 | 159.9° | 21.3° |
| C8 | N6 | C4 | O5 | 18.0° | 158.8° |
| C8 | N6 | C7 | H1 | 180.0° | 85.2° |
| C8 | N6 | C7 | H2 | 60.0° | 154.8° |
| C8 | N6 | C7 | H3 | 60.0° | 34.7° |
| N6 | C8 | C9 | H5 | 79.3° | 47.5° |
| N6 | C8 | C9 | H6 | 40.8° | 73.8° |
| N6 | C8 | C14 | H15 | 19.3° | 93.4° |
| N6 | C8 | C14 | H16 | 100.9° | 28.8° |
| C4 | N6 | C8 | C9 | 132.9° | 121.5° |
| N6 | C4 | N2 | C1 | 30.1° | 18.5° |
| N6 | C4 | N2 | O5 | 178.0° | 179.9° |
| N6 | C4 | N2 | C3 | 152.7° | 161.6° |
| C4 | N6 | C7 | H1 | 4.3° | 94.9° |
| C4 | N6 | C7 | H2 | 124.3° | 25.1° |
| C4 | N6 | C7 | H3 | 115.7° | 145.2° |
| C4 | N6 | C8 | H4 | 12.9° | 1.0° |
| C10 | C9 | C8 | H5 | 120.0° | 119.4° |
| C10 | C9 | C8 | H6 | 120.0° | 119.3° |
| C10 | C9 | C8 | H4 | 78.8° | 72.7° |
| C10 | C9 | H5 | H6 | 120.2° | 121.4° |
| C9 | C10 | H13 | H14 | 123.0° | 123.3° |
| C8 | C9 | H5 | H6 | 120.2° | 121.4° |
| C8 | C9 | C10 | H13 | 75.8° | 160.7° |
| C8 | C9 | C10 | H14 | 162.1° | 76.0° |
| C9 | C8 | C14 | H15 | 108.1° | 146.8° |
| C9 | C8 | C14 | H16 | 131.7° | 91.0° |
| C1 | N2 | C4 | C3 | 177.2° | 180.0° |
| C1 | N2 | C4 | O5 | 147.9° | 161.5° |
| N2 | C1 | H7 | H8 | 120.0° | 120.0° |
| N2 | C1 | H7 | H9 | 120.0° | 120.0° |
| N2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | N2 | C3 | H10 | 180.0° | 89.9° |
| C1 | N2 | C3 | H11 | 60.0° | 30.0° |
| C1 | N2 | C3 | H12 | 60.0° | 150.0° |
| C4 | N2 | C1 | H7 | 180.0° | 91.7° |
| C4 | N2 | C1 | H8 | 60.0° | 148.3° |
| C4 | N2 | C1 | H9 | 60.0° | 28.3° |
| C4 | N2 | C3 | H10 | 2.5° | 90.0° |
| C4 | N2 | C3 | H11 | 117.5° | 150.0° |
| C4 | N2 | C3 | H12 | 122.5° | 30.0° |
| C3 | N2 | C4 | O5 | 29.3° | 18.5° |
| C3 | N2 | C1 | H7 | 2.6° | 88.3° |
| C3 | N2 | C1 | H8 | 117.4° | 31.6° |
| C3 | N2 | C1 | H9 | 122.7° | 151.6° |
| N2 | C3 | H10 | H11 | 120.0° | 119.9° |
| N2 | C3 | H10 | H12 | 120.0° | 120.0° |
| N2 | C3 | H11 | H12 | 120.0° | 120.0° |
| H1 | C7 | H2 | H3 | 119.9° | 120.0° |
| H4 | C8 | C9 | H5 | 41.2° | 168.0° |
| H4 | C8 | C9 | H6 | 161.3° | 46.6° |
| H4 | C8 | C14 | H15 | 137.3° | 26.9° |
| H4 | C8 | C14 | H16 | 17.1° | 149.1° |
| H5 | C9 | C10 | H13 | 44.2° | 41.4° |
| H5 | C9 | C10 | H14 | 78.0° | 164.6° |
| H6 | C9 | C10 | H13 | 164.3° | 80.0° |
| H6 | C9 | C10 | H14 | 42.2° | 43.3° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H10 | C3 | H11 | H12 | 120.0° | 120.0° |
