A1BZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| N03 | C04 | sing | 1.34Å | 1.46Å | |
| C02 | C09 | sing | 1.52Å | 1.52Å | |
| O05 | C04 | doub | 1.21Å | 1.19Å | |
| C04 | N06 | sing | 1.34Å | 1.45Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C07 | sing | 1.52Å | 1.54Å | |
| N06 | C07 | sing | 1.35Å | 1.46Å | |
| C07 | O08 | doub | 1.21Å | 1.20Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| C10 | C1 | sing | 1.51Å | 44.81Å | |
| C1 | C2 | sing | 1.38Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 0.00Å | |
| O1 | C8 | sing | 1.43Å | 0.00Å | |
| C4 | O2 | sing | 1.36Å | 0.00Å | |
| C2 | H2 | sing | 1.08Å | 0.00Å | |
| C5 | H3 | sing | 1.08Å | 0.00Å | |
| C6 | H4 | sing | 1.08Å | 0.00Å | |
| C8 | H5 | sing | 1.09Å | 0.00Å | |
| C8 | H6 | sing | 1.09Å | 0.00Å | |
| C8 | H7 | sing | 1.09Å | 0.00Å | |
| O2 | H8 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 122.1° | 121.2° |
| O01 | C02 | C09 | 121.9° | 121.2° |
| C02 | N03 | C04 | 125.9° | 122.0° |
| N03 | C02 | C09 | 115.4° | 117.6° |
| C02 | N03 | H031 | 117.1° | 119.0° |
| N03 | C04 | O05 | 121.2° | 117.7° |
| N03 | C04 | N06 | 116.4° | 124.8° |
| C04 | N03 | H031 | 117.1° | 119.0° |
| C02 | C09 | C10 | 119.7° | 108.1° |
| C02 | C09 | C07 | 120.5° | 116.2° |
| C02 | C09 | H091 | 101.0° | 108.2° |
| O05 | C04 | N06 | 122.5° | 117.6° |
| C04 | N06 | C07 | 125.1° | 122.0° |
| C04 | N06 | H061 | 117.5° | 119.0° |
| C10 | C09 | C07 | 109.2° | 108.1° |
| C10 | C09 | H091 | 100.9° | 108.0° |
| C09 | C10 | H1 | 110.6° | 109.5° |
| C09 | C10 | H101 | 110.6° | 109.5° |
| C09 | C10 | C1 | 104.9° | 109.5° |
| C09 | C07 | N06 | 116.2° | 117.5° |
| C09 | C07 | O08 | 123.2° | 121.3° |
| C07 | C09 | H091 | 100.9° | 108.0° |
| N06 | C07 | O08 | 120.5° | 121.2° |
| C07 | N06 | H061 | 117.4° | 119.0° |
| H1 | C10 | H101 | 109.5° | 109.5° |
| H1 | C10 | C1 | 110.6° | 109.5° |
| H101 | C10 | C1 | 110.6° | 109.4° |
| C10 | C1 | C2 | 90.0° | 119.9° |
| C10 | C1 | C6 | 90.0° | 119.9° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C2 | C1 | C6 | 90.0° | 120.1° |
| C1 | C2 | H2 | 90.0° | 120.0° |
| C2 | C3 | C4 | 90.0° | 119.8° |
| C2 | C3 | O1 | 90.0° | 120.1° |
| C3 | C2 | H2 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 119.9° |
| C4 | C3 | O1 | 90.0° | 120.1° |
| C3 | C4 | O2 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | O2 | 90.0° | 120.1° |
| C4 | C5 | H3 | 90.0° | 120.0° |
| C5 | C6 | C1 | 90.0° | 120.1° |
| C6 | C5 | H3 | 90.0° | 120.0° |
| C5 | C6 | H4 | 90.0° | 119.9° |
| C1 | C6 | H4 | 90.0° | 119.9° |
| C3 | O1 | C8 | 90.0° | 117.0° |
| O1 | C8 | H5 | 90.0° | 109.4° |
| O1 | C8 | H6 | 90.0° | 109.4° |
| O1 | C8 | H7 | 90.0° | 109.5° |
| C4 | O2 | H8 | 90.0° | 114.0° |
| H5 | C8 | H6 | 90.0° | 109.5° |
| H5 | C8 | H7 | 90.0° | 109.5° |
| H6 | C8 | H7 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C09 | 170.9° | 179.7° |
| O01 | C02 | N03 | C04 | 177.9° | 179.7° |
| O01 | C02 | C09 | C10 | 39.6° | 58.5° |
| O01 | C02 | C09 | C07 | 179.5° | 179.7° |
| O01 | C02 | C09 | H091 | 69.7° | 58.2° |
| O01 | C02 | N03 | H031 | 2.1° | 0.3° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | O05 | 177.4° | 180.0° |
| C02 | N03 | C04 | N06 | 3.0° | 0.0° |
| N03 | C02 | C09 | C10 | 149.5° | 121.7° |
| N03 | C02 | C09 | C07 | 8.6° | 0.0° |
| N03 | C02 | C09 | H091 | 101.2° | 121.6° |
| C04 | N03 | C02 | C09 | 7.0° | 0.0° |
| N03 | C04 | O05 | N06 | 179.6° | 179.9° |
| N03 | C04 | N06 | C07 | 0.5° | 0.1° |
| N03 | C04 | N06 | H061 | 179.5° | 179.9° |
| C02 | C09 | C10 | C07 | 144.8° | 126.6° |
| C02 | C09 | C10 | H091 | 109.5° | 116.8° |
| C02 | C09 | C07 | H091 | 109.9° | 121.7° |
| C02 | C09 | C07 | N06 | 6.6° | 0.0° |
| C02 | C09 | C07 | O08 | 175.9° | 180.0° |
| C02 | C09 | C10 | H1 | 45.2° | 65.0° |
| C02 | C09 | C10 | H101 | 166.7° | 55.1° |
| C09 | C02 | N03 | H031 | 172.9° | 180.0° |
| C02 | C09 | C10 | C1 | 74.1° | 175.0° |
| O05 | C04 | N06 | C07 | 179.9° | 180.0° |
| O05 | C04 | N03 | H031 | 2.6° | 0.1° |
| O05 | C04 | N06 | H061 | 0.1° | 0.0° |
| C04 | N06 | C07 | C09 | 2.3° | 0.1° |
| C04 | N06 | C07 | H061 | 180.0° | 180.0° |
| C04 | N06 | C07 | O08 | 180.0° | 180.0° |
| N06 | C04 | N03 | H031 | 177.0° | 180.0° |
| C10 | C09 | C07 | H091 | 105.7° | 116.6° |
| C10 | C09 | C07 | N06 | 151.0° | 121.8° |
| C10 | C09 | C07 | O08 | 31.4° | 58.3° |
| C09 | C10 | H1 | H101 | 122.1° | 120.0° |
| C09 | C10 | H1 | C1 | 115.7° | 120.0° |
| C09 | C10 | H101 | C1 | 115.7° | 120.0° |
| C09 | C10 | C1 | C2 | 90.0° | 90.0° |
| C09 | C10 | C1 | C6 | 90.0° | 90.3° |
| C09 | C07 | N06 | O08 | 177.7° | 179.9° |
| C07 | C09 | C10 | H1 | 170.0° | 61.6° |
| C07 | C09 | C10 | H101 | 48.5° | 178.4° |
| C09 | C07 | N06 | H061 | 177.6° | 179.9° |
| C07 | C09 | C10 | C1 | 70.8° | 58.4° |
| N06 | C07 | C09 | H091 | 103.3° | 121.6° |
| O08 | C07 | C09 | H091 | 74.3° | 58.3° |
| O08 | C07 | N06 | H061 | 0.0° | 0.0° |
| H091 | C09 | C10 | H1 | 64.3° | 178.2° |
| H091 | C09 | C10 | H101 | 57.2° | 61.8° |
| H091 | C09 | C10 | C1 | 176.5° | 58.2° |
| H1 | C10 | H101 | C1 | 122.2° | 120.0° |
| H1 | C10 | C1 | C2 | 90.0° | 30.0° |
| H1 | C10 | C1 | C6 | 90.0° | 149.8° |
| H101 | C10 | C1 | C2 | 90.0° | 150.0° |
| H101 | C10 | C1 | C6 | 90.0° | 29.7° |
| C10 | C1 | C2 | C6 | 90.0° | 179.8° |
| C10 | C1 | C2 | C3 | 90.0° | 180.0° |
| C10 | C1 | C6 | C5 | 90.0° | 179.7° |
| C10 | C1 | C2 | H2 | 90.0° | 0.0° |
| C10 | C1 | C6 | H4 | 90.0° | 0.3° |
| C1 | C2 | C3 | H2 | 90.0° | 179.9° |
| C1 | C2 | C3 | C4 | 90.0° | 0.1° |
| C2 | C1 | C6 | C5 | 90.0° | 0.5° |
| C1 | C2 | C3 | O1 | 90.0° | 180.0° |
| C2 | C1 | C6 | H4 | 90.0° | 180.0° |
| C2 | C3 | C4 | O1 | 90.0° | 179.9° |
| C2 | C3 | C4 | C5 | 90.0° | 0.0° |
| C3 | C2 | C1 | C6 | 90.0° | 0.2° |
| C2 | C3 | O1 | C8 | 90.0° | 0.1° |
| C2 | C3 | C4 | O2 | 90.0° | 180.0° |
| C3 | C4 | C5 | O2 | 90.0° | 180.0° |
| C3 | C4 | C5 | C6 | 90.0° | 0.3° |
| C4 | C3 | O1 | C8 | 90.0° | 180.0° |
| C4 | C3 | C2 | H2 | 90.0° | 180.0° |
| C3 | C4 | C5 | H3 | 90.0° | 180.0° |
| C3 | C4 | O2 | H8 | 90.0° | 90.0° |
| C4 | C5 | C6 | H3 | 90.0° | 179.7° |
| C4 | C5 | C6 | C1 | 90.0° | 0.5° |
| C5 | C4 | C3 | O1 | 90.0° | 179.9° |
| C4 | C5 | C6 | H4 | 90.0° | 180.0° |
| C5 | C4 | O2 | H8 | 90.0° | 90.0° |
| C5 | C6 | C1 | H4 | 90.0° | 179.5° |
| C6 | C5 | C4 | O2 | 90.0° | 179.7° |
| C6 | C1 | C2 | H2 | 90.0° | 179.7° |
| C1 | C6 | C5 | H3 | 90.0° | 179.7° |
| O1 | C3 | C4 | O2 | 90.0° | 0.0° |
| O1 | C3 | C2 | H2 | 90.0° | 0.1° |
| C3 | O1 | C8 | H5 | 90.0° | 180.0° |
| C3 | O1 | C8 | H6 | 90.0° | 60.1° |
| C3 | O1 | C8 | H7 | 90.0° | 60.0° |
| O1 | C8 | H5 | H6 | 90.0° | 119.9° |
| O1 | C8 | H5 | H7 | 90.0° | 120.0° |
| O1 | C8 | H6 | H7 | 90.0° | 120.0° |
| O2 | C4 | C5 | H3 | 90.0° | 0.0° |
| H3 | C5 | C6 | H4 | 90.0° | 0.3° |
| H5 | C8 | H6 | H7 | 90.0° | 120.1° |
