8V3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N14 | doub | 1.30Å | 1.32Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.32Å | Aromatic |
| N14 | C13 | sing | 1.34Å | 1.31Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| O01 | C02 | sing | 1.34Å | 1.26Å | |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| N16 | C12 | sing | 1.37Å | 1.33Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C04 | C11 | sing | 1.53Å | 1.53Å | |
| C04 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | C06 | sing | 1.35Å | 1.45Å | |
| O07 | C06 | doub | 1.21Å | 1.19Å | |
| C06 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | N10 | sing | 1.47Å | 1.44Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| N05 | H13 | sing | 0.97Å | 1.00Å | |
| N10 | H14 | sing | 1.01Å | 1.00Å | |
| N10 | H15 | sing | 1.01Å | 1.00Å | |
| O01 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C15 | N16 | 109.7° | 108.7° |
| C15 | N14 | C13 | 108.3° | 109.3° |
| N14 | C15 | H4 | 125.2° | 125.7° |
| C15 | N16 | C17 | 124.7° | 126.4° |
| C15 | N16 | C12 | 108.1° | 107.2° |
| N16 | C15 | H4 | 125.1° | 125.6° |
| N14 | C13 | C12 | 107.5° | 108.0° |
| N14 | C13 | H3 | 126.2° | 126.1° |
| O03 | C02 | O01 | 118.5° | 120.0° |
| O03 | C02 | C04 | 121.0° | 120.0° |
| O01 | C02 | C04 | 120.5° | 120.0° |
| C02 | O01 | H18 | 109.5° | 117.0° |
| C17 | N16 | C12 | 127.2° | 126.4° |
| N16 | C17 | H10 | 109.5° | 109.5° |
| N16 | C17 | H11 | 109.5° | 109.4° |
| N16 | C17 | H12 | 109.5° | 109.4° |
| N16 | C12 | C13 | 106.4° | 106.8° |
| N16 | C12 | C11 | 129.8° | 126.6° |
| C13 | C12 | C11 | 123.7° | 126.6° |
| C12 | C13 | H3 | 126.3° | 126.0° |
| C02 | C04 | C11 | 115.7° | 109.5° |
| C02 | C04 | N05 | 111.7° | 109.5° |
| C02 | C04 | H5 | 108.1° | 109.4° |
| C12 | C11 | C04 | 123.1° | 109.4° |
| C12 | C11 | H1 | 106.0° | 109.5° |
| C12 | C11 | H2 | 106.0° | 109.5° |
| C11 | C04 | N05 | 103.9° | 109.5° |
| C04 | C11 | H1 | 106.0° | 109.5° |
| C04 | C11 | H2 | 106.0° | 109.5° |
| C11 | C04 | H5 | 108.2° | 109.4° |
| C04 | N05 | C06 | 121.8° | 120.0° |
| N05 | C04 | H5 | 109.1° | 109.5° |
| C04 | N05 | H13 | 119.1° | 120.0° |
| N05 | C06 | O07 | 121.5° | 120.0° |
| N05 | C06 | C08 | 117.8° | 120.0° |
| C06 | N05 | H13 | 119.1° | 120.1° |
| O07 | C06 | C08 | 120.7° | 120.0° |
| C06 | C08 | C09 | 111.3° | 109.5° |
| C06 | C08 | H6 | 109.0° | 109.5° |
| C06 | C08 | H7 | 109.0° | 109.4° |
| C08 | C09 | N10 | 108.0° | 109.5° |
| C09 | C08 | H6 | 109.0° | 109.5° |
| C09 | C08 | H7 | 109.0° | 109.4° |
| C08 | C09 | H8 | 109.8° | 109.5° |
| C08 | C09 | H9 | 109.9° | 109.4° |
| N10 | C09 | H8 | 109.9° | 109.5° |
| N10 | C09 | H9 | 109.8° | 109.5° |
| C09 | N10 | H14 | 109.5° | 111.0° |
| C09 | N10 | H15 | 109.5° | 111.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H14 | N10 | H15 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C15 | N16 | H4 | 180.0° | 179.9° |
| N14 | C15 | N16 | C17 | 179.9° | 180.0° |
| N14 | C15 | N16 | C12 | 1.0° | 0.3° |
| C15 | N14 | C13 | C12 | 0.3° | 0.0° |
| C15 | N14 | C13 | H3 | 179.7° | 180.0° |
| N16 | C15 | N14 | C13 | 0.4° | 0.2° |
| C15 | N16 | C17 | C12 | 178.9° | 179.6° |
| C15 | N16 | C12 | C13 | 1.2° | 0.3° |
| C15 | N16 | C12 | C11 | 178.3° | 180.0° |
| C15 | N16 | C17 | H10 | 180.0° | 89.9° |
| C15 | N16 | C17 | H11 | 60.0° | 150.1° |
| C15 | N16 | C17 | H12 | 60.0° | 30.1° |
| N14 | C13 | C12 | N16 | 0.9° | 0.2° |
| N14 | C13 | C12 | H3 | 180.0° | 180.0° |
| N14 | C13 | C12 | C11 | 178.3° | 179.9° |
| C13 | N14 | C15 | H4 | 179.6° | 179.9° |
| O03 | C02 | O01 | C04 | 178.3° | 179.9° |
| O03 | C02 | C04 | C11 | 65.9° | 120.0° |
| O03 | C02 | C04 | N05 | 52.7° | 0.1° |
| O03 | C02 | C04 | H5 | 172.7° | 120.1° |
| O03 | C02 | O01 | H18 | 0.0° | 0.0° |
| O01 | C02 | C04 | C11 | 115.8° | 59.9° |
| O01 | C02 | C04 | N05 | 125.6° | 180.0° |
| O01 | C02 | C04 | H5 | 5.6° | 60.0° |
| C17 | N16 | C12 | C13 | 179.7° | 180.0° |
| C17 | N16 | C12 | C11 | 2.6° | 0.3° |
| C17 | N16 | C15 | H4 | 0.1° | 0.1° |
| N16 | C17 | H10 | H11 | 120.0° | 120.0° |
| N16 | C17 | H10 | H12 | 120.0° | 119.9° |
| N16 | C17 | H11 | H12 | 120.0° | 119.9° |
| N16 | C12 | C13 | C11 | 177.4° | 179.7° |
| N16 | C12 | C11 | C04 | 54.8° | 95.3° |
| N16 | C12 | C11 | H1 | 176.6° | 24.7° |
| N16 | C12 | C11 | H2 | 67.1° | 144.7° |
| N16 | C12 | C13 | H3 | 179.1° | 179.8° |
| C12 | N16 | C15 | H4 | 179.0° | 179.8° |
| C12 | N16 | C17 | H10 | 1.0° | 90.5° |
| C12 | N16 | C17 | H11 | 121.1° | 29.6° |
| C12 | N16 | C17 | H12 | 119.0° | 149.5° |
| C13 | C12 | C11 | C04 | 128.5° | 85.0° |
| C13 | C12 | C11 | H1 | 6.7° | 155.0° |
| C13 | C12 | C11 | H2 | 109.7° | 34.9° |
| C02 | C04 | C11 | C12 | 32.3° | 175.0° |
| C02 | C04 | C11 | N05 | 122.8° | 120.1° |
| C02 | C04 | C11 | H5 | 121.3° | 119.9° |
| C02 | C04 | N05 | H5 | 119.4° | 120.0° |
| C02 | C04 | N05 | C06 | 73.3° | 85.0° |
| C02 | C04 | C11 | H1 | 89.6° | 54.9° |
| C02 | C04 | C11 | H2 | 154.1° | 65.1° |
| C02 | C04 | N05 | H13 | 106.8° | 95.0° |
| C04 | C02 | O01 | H18 | 178.3° | 180.0° |
| C12 | C11 | C04 | H1 | 121.9° | 120.0° |
| C12 | C11 | C04 | H2 | 121.8° | 120.0° |
| C12 | C11 | C04 | N05 | 155.1° | 65.0° |
| C12 | C11 | H1 | H2 | 113.9° | 120.0° |
| C11 | C12 | C13 | H3 | 1.7° | 0.1° |
| C12 | C11 | C04 | H5 | 89.1° | 55.0° |
| C11 | C04 | N05 | H5 | 115.2° | 120.0° |
| C11 | C04 | N05 | C06 | 161.4° | 155.0° |
| C04 | C11 | H1 | H2 | 113.9° | 120.0° |
| C11 | C04 | N05 | H13 | 18.6° | 25.0° |
| C04 | N05 | C06 | H13 | 180.0° | 180.0° |
| C04 | N05 | C06 | O07 | 0.8° | 0.0° |
| C04 | N05 | C06 | C08 | 179.1° | 180.0° |
| N05 | C04 | C11 | H1 | 33.2° | 175.0° |
| N05 | C04 | C11 | H2 | 83.1° | 55.0° |
| N05 | C06 | O07 | C08 | 179.9° | 180.0° |
| N05 | C06 | C08 | C09 | 32.6° | 180.0° |
| C06 | N05 | C04 | H5 | 46.2° | 35.0° |
| N05 | C06 | C08 | H6 | 152.9° | 60.0° |
| N05 | C06 | C08 | H7 | 87.6° | 60.0° |
| O07 | C06 | C08 | C09 | 147.2° | 0.0° |
| O07 | C06 | C08 | H6 | 27.0° | 120.0° |
| O07 | C06 | C08 | H7 | 92.5° | 120.0° |
| O07 | C06 | N05 | H13 | 179.2° | 180.0° |
| C06 | C08 | C09 | H6 | 120.3° | 120.0° |
| C06 | C08 | C09 | H7 | 120.3° | 119.9° |
| C06 | C08 | C09 | N10 | 155.0° | 180.0° |
| C06 | C08 | H6 | H7 | 119.1° | 120.0° |
| C06 | C08 | C09 | H8 | 85.2° | 59.9° |
| C06 | C08 | C09 | H9 | 35.3° | 60.0° |
| C08 | C06 | N05 | H13 | 0.9° | 0.0° |
| C08 | C09 | N10 | H8 | 119.7° | 120.0° |
| C08 | C09 | N10 | H9 | 119.8° | 120.0° |
| C09 | C08 | H6 | H7 | 119.2° | 120.0° |
| C08 | C09 | H8 | H9 | 120.7° | 119.9° |
| C08 | C09 | N10 | H14 | 180.0° | 56.0° |
| C08 | C09 | N10 | H15 | 60.0° | 179.9° |
| N10 | C09 | C08 | H6 | 34.8° | 60.0° |
| N10 | C09 | C08 | H7 | 84.7° | 60.0° |
| N10 | C09 | H8 | H9 | 120.7° | 120.0° |
| C09 | N10 | H14 | H15 | 120.0° | 124.1° |
| H1 | C11 | C04 | H5 | 149.1° | 65.0° |
| H2 | C11 | C04 | H5 | 32.8° | 175.0° |
| H5 | C04 | N05 | H13 | 133.8° | 145.0° |
| H6 | C08 | C09 | H8 | 154.5° | 180.0° |
| H6 | C08 | C09 | H9 | 85.0° | 60.0° |
| H7 | C08 | C09 | H8 | 35.0° | 60.0° |
| H7 | C08 | C09 | H9 | 155.5° | 180.0° |
| H8 | C09 | N10 | H14 | 60.3° | 64.0° |
| H8 | C09 | N10 | H15 | 179.8° | 60.1° |
| H9 | C09 | N10 | H14 | 60.2° | 176.0° |
| H9 | C09 | N10 | H15 | 59.8° | 59.9° |
| H10 | C17 | H11 | H12 | 120.0° | 120.1° |
