8V0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.19Å | |
| O10 | C08 | doub | 1.21Å | 1.26Å | |
| O09 | C08 | sing | 1.34Å | 1.26Å | |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | N16 | sing | 1.47Å | 1.45Å | |
| C12 | C14 | sing | 1.51Å | 1.54Å | |
| C12 | N11 | sing | 1.35Å | 1.42Å | |
| C07 | N11 | sing | 1.46Å | 1.45Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C02 | sing | 1.51Å | 1.51Å | |
| N03 | C02 | sing | 1.34Å | 1.32Å | Aromatic |
| N03 | C04 | doub | 1.31Å | 1.32Å | Aromatic |
| C02 | C01 | doub | 1.35Å | 1.39Å | Aromatic |
| C04 | N05 | sing | 1.35Å | 1.32Å | Aromatic |
| C01 | N05 | sing | 1.37Å | 1.31Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| N05 | H11 | sing | 0.97Å | 1.00Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| N16 | H13 | sing | 1.01Å | 1.00Å | |
| N16 | H14 | sing | 1.01Å | 1.00Å | |
| O09 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C14 | 126.5° | 120.0° |
| O13 | C12 | N11 | 120.3° | 119.9° |
| O10 | C08 | O09 | 116.8° | 120.0° |
| O10 | C08 | C07 | 120.9° | 120.0° |
| O09 | C08 | C07 | 122.2° | 120.0° |
| C08 | O09 | H16 | 109.5° | 117.0° |
| C08 | C07 | N11 | 108.9° | 109.5° |
| C08 | C07 | C06 | 121.7° | 109.5° |
| C08 | C07 | H5 | 110.6° | 109.5° |
| C14 | C15 | N16 | 107.0° | 109.5° |
| C15 | C14 | C12 | 119.4° | 109.5° |
| C15 | C14 | H6 | 107.0° | 109.4° |
| C15 | C14 | H7 | 106.9° | 109.5° |
| C14 | C15 | H8 | 110.1° | 109.4° |
| C14 | C15 | H9 | 110.1° | 109.5° |
| N16 | C15 | H8 | 110.1° | 109.5° |
| N16 | C15 | H9 | 110.1° | 109.5° |
| C15 | N16 | H13 | 109.5° | 111.0° |
| C15 | N16 | H14 | 109.5° | 111.0° |
| C14 | C12 | N11 | 113.2° | 120.1° |
| C12 | C14 | H6 | 106.9° | 109.5° |
| C12 | C14 | H7 | 107.0° | 109.5° |
| C12 | N11 | C07 | 127.8° | 120.0° |
| C12 | N11 | H12 | 116.1° | 119.9° |
| N11 | C07 | C06 | 91.3° | 109.5° |
| N11 | C07 | H5 | 112.1° | 109.5° |
| C07 | N11 | H12 | 116.1° | 120.0° |
| C07 | C06 | C02 | 126.6° | 109.5° |
| C07 | C06 | H3 | 105.1° | 109.5° |
| C07 | C06 | H4 | 105.0° | 109.4° |
| C06 | C07 | H5 | 110.7° | 109.5° |
| C06 | C02 | N03 | 128.2° | 126.0° |
| C06 | C02 | C01 | 123.1° | 126.0° |
| C02 | C06 | H3 | 105.0° | 109.5° |
| C02 | C06 | H4 | 105.1° | 109.5° |
| C02 | N03 | C04 | 106.8° | 109.2° |
| N03 | C02 | C01 | 108.6° | 108.1° |
| N03 | C04 | N05 | 109.8° | 108.7° |
| N03 | C04 | H2 | 125.1° | 125.7° |
| C02 | C01 | N05 | 105.7° | 106.8° |
| C02 | C01 | H1 | 127.1° | 126.6° |
| C04 | N05 | C01 | 109.0° | 107.2° |
| N05 | C04 | H2 | 125.1° | 125.6° |
| C04 | N05 | H11 | 125.5° | 126.4° |
| N05 | C01 | H1 | 127.1° | 126.5° |
| C01 | N05 | H11 | 125.5° | 126.4° |
| H3 | C06 | H4 | 109.4° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H13 | N16 | H14 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C14 | C15 | 22.6° | 0.0° |
| O13 | C12 | C14 | N11 | 178.1° | 180.0° |
| O13 | C12 | N11 | C07 | 3.1° | 0.0° |
| O13 | C12 | C14 | H6 | 144.0° | 120.0° |
| O13 | C12 | C14 | H7 | 98.8° | 120.0° |
| O13 | C12 | N11 | H12 | 176.9° | 180.0° |
| O10 | C08 | O09 | C07 | 176.9° | 179.9° |
| O10 | C08 | C07 | N11 | 158.4° | 0.1° |
| O10 | C08 | C07 | C06 | 97.7° | 120.0° |
| O10 | C08 | C07 | H5 | 34.8° | 120.0° |
| O10 | C08 | O09 | H16 | 0.0° | 0.1° |
| O09 | C08 | C07 | N11 | 18.4° | 180.0° |
| O09 | C08 | C07 | C06 | 85.5° | 60.0° |
| O09 | C08 | C07 | H5 | 141.9° | 60.0° |
| C08 | C07 | N11 | C12 | 87.5° | 85.0° |
| C08 | C07 | N11 | C06 | 124.4° | 120.0° |
| C08 | C07 | N11 | H5 | 122.6° | 120.0° |
| C08 | C07 | C06 | H5 | 132.5° | 120.0° |
| C08 | C07 | C06 | C02 | 47.8° | 175.0° |
| C08 | C07 | C06 | H3 | 170.1° | 55.0° |
| C08 | C07 | C06 | H4 | 74.5° | 65.0° |
| C08 | C07 | N11 | H12 | 92.6° | 95.0° |
| C07 | C08 | O09 | H16 | 176.9° | 179.9° |
| C14 | C15 | N16 | H8 | 119.6° | 120.0° |
| C14 | C15 | N16 | H9 | 119.6° | 120.0° |
| C15 | C14 | C12 | H6 | 121.4° | 120.0° |
| C15 | C14 | C12 | H7 | 121.4° | 120.0° |
| C15 | C14 | C12 | N11 | 159.3° | 180.0° |
| C15 | C14 | H6 | H7 | 115.5° | 119.9° |
| C14 | C15 | H8 | H9 | 121.1° | 120.0° |
| C14 | C15 | N16 | H13 | 180.0° | 56.1° |
| C14 | C15 | N16 | H14 | 60.0° | 180.0° |
| N16 | C15 | C14 | C12 | 178.6° | 180.0° |
| N16 | C15 | C14 | H6 | 57.2° | 60.0° |
| N16 | C15 | C14 | H7 | 60.0° | 60.0° |
| N16 | C15 | H8 | H9 | 121.2° | 120.0° |
| C15 | N16 | H13 | H14 | 120.0° | 123.9° |
| C14 | C12 | N11 | C07 | 178.6° | 180.0° |
| C12 | C14 | H6 | H7 | 115.5° | 120.0° |
| C12 | C14 | C15 | H8 | 59.0° | 60.0° |
| C12 | C14 | C15 | H9 | 61.8° | 60.0° |
| C14 | C12 | N11 | H12 | 1.4° | 0.0° |
| C12 | N11 | C07 | H12 | 180.0° | 180.0° |
| C12 | N11 | C07 | C06 | 148.2° | 155.0° |
| C12 | N11 | C07 | H5 | 35.2° | 35.0° |
| N11 | C12 | C14 | H6 | 37.8° | 60.0° |
| N11 | C12 | C14 | H7 | 79.3° | 60.0° |
| N11 | C07 | C06 | H5 | 114.2° | 120.0° |
| N11 | C07 | C06 | C02 | 161.1° | 65.0° |
| N11 | C07 | C06 | H3 | 76.6° | 175.0° |
| N11 | C07 | C06 | H4 | 38.8° | 55.0° |
| C07 | C06 | C02 | H3 | 122.3° | 120.0° |
| C07 | C06 | C02 | H4 | 122.3° | 119.9° |
| C07 | C06 | C02 | N03 | 46.0° | 55.0° |
| C07 | C06 | C02 | C01 | 137.0° | 125.0° |
| C07 | C06 | H3 | H4 | 112.3° | 120.0° |
| C06 | C07 | N11 | H12 | 31.8° | 25.0° |
| C06 | C02 | N03 | C01 | 177.3° | 180.0° |
| C06 | C02 | N03 | C04 | 178.7° | 180.0° |
| C06 | C02 | C01 | N05 | 179.2° | 180.0° |
| C06 | C02 | C01 | H1 | 0.8° | 0.3° |
| C02 | C06 | H3 | H4 | 112.3° | 120.0° |
| C02 | C06 | C07 | H5 | 84.7° | 55.0° |
| C02 | N03 | C04 | N05 | 0.6° | 0.0° |
| N03 | C02 | C01 | N05 | 1.7° | 0.0° |
| N03 | C02 | C01 | H1 | 178.3° | 179.7° |
| C02 | N03 | C04 | H2 | 179.4° | 180.0° |
| N03 | C02 | C06 | H3 | 76.3° | 65.0° |
| N03 | C02 | C06 | H4 | 168.3° | 175.0° |
| C04 | N03 | C02 | C01 | 1.4° | 0.0° |
| N03 | C04 | N05 | H2 | 180.0° | 180.0° |
| N03 | C04 | N05 | C01 | 0.5° | 0.0° |
| N03 | C04 | N05 | H11 | 179.5° | 179.8° |
| C02 | C01 | N05 | C04 | 1.3° | 0.0° |
| C02 | C01 | N05 | H1 | 180.0° | 179.7° |
| C01 | C02 | C06 | H3 | 100.7° | 115.0° |
| C01 | C02 | C06 | H4 | 14.7° | 5.0° |
| C02 | C01 | N05 | H11 | 178.7° | 179.8° |
| C04 | N05 | C01 | H11 | 180.0° | 179.8° |
| C04 | N05 | C01 | H1 | 178.7° | 179.7° |
| C01 | N05 | C04 | H2 | 179.5° | 180.0° |
| H1 | C01 | N05 | H11 | 1.3° | 0.1° |
| H2 | C04 | N05 | H11 | 0.5° | 0.3° |
| H3 | C06 | C07 | H5 | 37.6° | 65.0° |
| H4 | C06 | C07 | H5 | 153.0° | 175.0° |
| H5 | C07 | N11 | H12 | 144.8° | 145.0° |
| H6 | C14 | C15 | H8 | 62.5° | 180.0° |
| H6 | C14 | C15 | H9 | 176.8° | 60.0° |
| H7 | C14 | C15 | H8 | 179.6° | 60.1° |
| H7 | C14 | C15 | H9 | 59.6° | 180.0° |
| H8 | C15 | N16 | H13 | 60.4° | 63.9° |
| H8 | C15 | N16 | H14 | 179.6° | 60.0° |
| H9 | C15 | N16 | H13 | 60.4° | 176.1° |
| H9 | C15 | N16 | H14 | 59.6° | 60.0° |
