BNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O6 | sing | 1.43Å | 1.37Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | O5 | sing | 1.43Å | 1.39Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| O5 | C1 | sing | 1.43Å | 1.38Å | |
| C1 | O1 | sing | 1.43Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O4 | C4 | sing | 1.43Å | 1.38Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.39Å | |
| C2 | O2 | sing | 1.43Å | 1.38Å | |
| O2 | PAM | sing | 1.61Å | 1.57Å | |
| PAM | OAO | doub | 1.48Å | 1.48Å | |
| PAM | OAN | sing | 1.61Å | 1.49Å | |
| PAM | OAP | sing | 1.61Å | 1.51Å | |
| OAN | H1A | sing | 0.97Å | 0.95Å | |
| OAP | H2A | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 117.7° | 109.5° |
| O6 | C6 | H61 | 107.4° | 109.5° |
| O6 | C6 | H62 | 107.4° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 109.3° | 109.5° |
| C6 | C5 | C4 | 110.4° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C5 | C6 | H61 | 107.4° | 109.5° |
| C5 | C6 | H62 | 107.4° | 109.5° |
| O5 | C5 | C4 | 110.4° | 109.4° |
| C5 | O5 | C1 | 115.2° | 114.2° |
| O5 | C5 | H5 | 109.9° | 109.5° |
| C5 | C4 | O4 | 110.9° | 109.5° |
| C5 | C4 | C3 | 109.4° | 109.1° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| O5 | C1 | O1 | 109.9° | 109.5° |
| O5 | C1 | C2 | 113.1° | 109.4° |
| O5 | C1 | H1 | 108.1° | 109.5° |
| O1 | C1 | C2 | 110.7° | 109.6° |
| O1 | C1 | H1 | 108.2° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 110.2° | 109.2° |
| C1 | C2 | O2 | 109.0° | 109.5° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| C2 | C1 | H1 | 106.6° | 109.4° |
| O4 | C4 | C3 | 108.4° | 109.5° |
| O4 | C4 | H4 | 110.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 112.4° | 109.0° |
| C4 | C3 | O3 | 111.0° | 109.5° |
| C4 | C3 | H3 | 106.6° | 109.7° |
| C3 | C4 | H4 | 108.9° | 109.6° |
| C2 | C3 | O3 | 112.1° | 109.5° |
| C3 | C2 | O2 | 108.5° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.6° |
| C2 | C3 | H3 | 106.5° | 109.5° |
| O3 | C3 | H3 | 107.9° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| C2 | O2 | PAM | 124.3° | 123.0° |
| O2 | C2 | H2 | 110.9° | 109.5° |
| O2 | PAM | OAO | 111.8° | 109.5° |
| O2 | PAM | OAN | 110.4° | 109.4° |
| O2 | PAM | OAP | 115.4° | 109.5° |
| OAO | PAM | OAN | 108.2° | 109.5° |
| OAO | PAM | OAP | 104.5° | 109.5° |
| OAN | PAM | OAP | 106.0° | 109.5° |
| PAM | OAN | H1A | 109.5° | 114.0° |
| PAM | OAP | H2A | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 121.2° | 120.0° |
| O6 | C6 | C5 | H62 | 121.2° | 120.0° |
| O6 | C6 | C5 | O5 | 70.1° | 65.0° |
| O6 | C6 | C5 | C4 | 51.5° | 175.1° |
| O6 | C6 | C5 | H5 | 170.1° | 55.0° |
| O6 | C6 | H61 | H62 | 116.3° | 120.0° |
| C6 | C5 | O5 | C4 | 121.6° | 120.0° |
| C6 | C5 | O5 | H5 | 118.9° | 120.1° |
| C6 | C5 | C4 | H5 | 118.6° | 120.1° |
| C6 | C5 | O5 | C1 | 179.0° | 178.9° |
| C6 | C5 | C4 | O4 | 63.4° | 62.5° |
| C6 | C5 | C4 | C3 | 177.1° | 177.6° |
| C6 | C5 | C4 | H4 | 58.3° | 57.7° |
| C5 | C6 | H61 | H62 | 116.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C4 | H5 | 120.5° | 120.0° |
| C5 | O5 | C1 | O1 | 179.6° | 178.8° |
| C5 | O5 | C1 | C2 | 56.1° | 61.1° |
| O5 | C5 | C4 | O4 | 175.7° | 177.6° |
| O5 | C5 | C4 | C3 | 56.2° | 57.7° |
| O5 | C5 | C4 | H4 | 62.6° | 62.3° |
| O5 | C5 | C6 | H61 | 168.8° | 174.9° |
| O5 | C5 | C6 | H62 | 51.1° | 54.9° |
| C5 | O5 | C1 | H1 | 61.6° | 58.8° |
| C4 | C5 | O5 | C1 | 59.5° | 61.2° |
| C5 | C4 | O4 | C3 | 120.1° | 119.7° |
| C5 | C4 | O4 | H4 | 120.7° | 120.2° |
| C5 | C4 | C3 | H4 | 118.7° | 119.9° |
| C5 | C4 | C3 | C2 | 52.8° | 57.0° |
| C5 | C4 | C3 | O3 | 179.3° | 176.8° |
| C5 | C4 | C3 | H3 | 63.5° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.4° |
| C4 | C5 | C6 | H61 | 69.6° | 55.0° |
| C4 | C5 | C6 | H62 | 172.7° | 65.0° |
| O5 | C1 | O1 | C2 | 125.6° | 120.0° |
| O5 | C1 | O1 | H1 | 117.9° | 120.0° |
| O5 | C1 | C2 | H1 | 118.7° | 119.9° |
| O5 | C1 | C2 | C3 | 48.9° | 57.5° |
| O5 | C1 | C2 | O2 | 167.9° | 177.4° |
| O5 | C1 | C2 | H2 | 70.9° | 62.5° |
| C1 | O5 | C5 | H5 | 60.0° | 58.8° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O1 | C1 | C2 | H1 | 117.5° | 120.0° |
| O1 | C1 | C2 | C3 | 172.8° | 177.5° |
| O1 | C1 | C2 | O2 | 68.3° | 62.5° |
| O1 | C1 | C2 | H2 | 52.9° | 57.6° |
| C1 | C2 | C3 | C4 | 48.8° | 57.0° |
| C1 | C2 | C3 | O2 | 119.3° | 119.9° |
| C1 | C2 | C3 | H2 | 119.7° | 119.9° |
| C1 | C2 | C3 | O3 | 174.7° | 176.8° |
| C1 | C2 | O2 | H2 | 120.1° | 120.1° |
| C1 | C2 | O2 | PAM | 137.2° | 120.1° |
| C1 | C2 | C3 | H3 | 67.5° | 63.0° |
| C2 | C1 | O1 | HO1 | 54.3° | 180.0° |
| O4 | C4 | C3 | H4 | 120.2° | 120.2° |
| O4 | C4 | C3 | C2 | 173.8° | 176.9° |
| O4 | C4 | C3 | O3 | 59.7° | 63.3° |
| O4 | C4 | C3 | H3 | 57.5° | 57.0° |
| O4 | C4 | C5 | H5 | 55.2° | 57.6° |
| C4 | C3 | C2 | O3 | 125.9° | 119.8° |
| C4 | C3 | C2 | H3 | 116.4° | 120.0° |
| C4 | C3 | O3 | H3 | 116.4° | 120.3° |
| C4 | C3 | C2 | O2 | 168.1° | 176.9° |
| C4 | C3 | C2 | H2 | 70.9° | 62.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.5° |
| C3 | C4 | O4 | HO4 | 59.9° | 180.0° |
| C3 | C4 | C5 | H5 | 64.3° | 62.3° |
| C2 | C3 | O3 | H3 | 117.0° | 120.2° |
| C3 | C2 | O2 | H2 | 119.9° | 120.2° |
| C3 | C2 | O2 | PAM | 102.7° | 120.2° |
| C2 | C3 | O3 | HO3 | 53.4° | 180.0° |
| C2 | C3 | C4 | H4 | 65.9° | 62.9° |
| C3 | C2 | C1 | H1 | 69.8° | 62.4° |
| O3 | C3 | C2 | O2 | 66.0° | 63.3° |
| O3 | C3 | C2 | H2 | 55.0° | 56.9° |
| O3 | C3 | C4 | H4 | 60.5° | 56.9° |
| C2 | O2 | PAM | OAO | 47.4° | 55.0° |
| C2 | O2 | PAM | OAN | 168.0° | 65.0° |
| C2 | O2 | PAM | OAP | 71.8° | 175.0° |
| O2 | C2 | C3 | H3 | 51.7° | 56.9° |
| O2 | C2 | C1 | H1 | 49.2° | 57.5° |
| O2 | PAM | OAO | OAN | 121.9° | 120.0° |
| O2 | PAM | OAO | OAP | 125.5° | 120.0° |
| O2 | PAM | OAN | OAP | 125.7° | 120.0° |
| O2 | PAM | OAN | H1A | 122.7° | 60.0° |
| O2 | PAM | OAP | H2A | 123.2° | 180.0° |
| PAM | O2 | C2 | H2 | 17.2° | 0.0° |
| OAO | PAM | OAN | OAP | 111.6° | 120.0° |
| OAO | PAM | OAN | H1A | 0.0° | 180.0° |
| OAO | PAM | OAP | H2A | 0.0° | 60.0° |
| OAN | PAM | OAP | H2A | 114.2° | 60.0° |
| OAP | PAM | OAN | H1A | 111.6° | 60.0° |
| H2 | C2 | C3 | H3 | 172.7° | 177.0° |
| H2 | C2 | C1 | H1 | 170.4° | 177.6° |
| H3 | C3 | O3 | HO3 | 63.6° | 59.8° |
| H3 | C3 | C4 | H4 | 177.7° | 177.2° |
| H4 | C4 | O4 | HO4 | 59.3° | 59.8° |
| H4 | C4 | C5 | H5 | 176.9° | 177.7° |
| H5 | C5 | C6 | H61 | 48.9° | 65.0° |
| H5 | C5 | C6 | H62 | 68.7° | 175.0° |
| H61 | C6 | O6 | HO6 | 58.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 58.8° | 60.0° |
| H1 | C1 | O1 | HO1 | 62.1° | 60.0° |
