0NA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | N16 | sing | 1.29Å | 1.36Å | Aromatic |
| N17 | N18 | doub | 1.29Å | 1.37Å | Aromatic |
| N16 | C15 | sing | 1.35Å | 1.35Å | Aromatic |
| N18 | N19 | sing | 1.29Å | 1.35Å | Aromatic |
| C15 | N19 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.38Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N20 | sing | 1.33Å | 1.35Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N20 | C21 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | S08 | sing | 1.76Å | 1.75Å | |
| O10 | S08 | doub | 1.42Å | 1.43Å | |
| S08 | O09 | doub | 1.42Å | 1.45Å | |
| S08 | N07 | sing | 1.66Å | 1.62Å | |
| C06 | N07 | sing | 1.47Å | 1.45Å | |
| C06 | B03 | sing | 1.57Å | 1.57Å | |
| B03 | O05 | sing | 1.42Å | 1.46Å | |
| B03 | O04 | sing | 1.42Å | 1.47Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| N16 | H6 | sing | 0.97Å | 1.00Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | N17 | N18 | 108.2° | 109.1° |
| N17 | N16 | C15 | 107.1° | 107.0° |
| N17 | N16 | H6 | 126.5° | 126.5° |
| N17 | N18 | N19 | 106.9° | 109.6° |
| N16 | C15 | N19 | 109.0° | 106.4° |
| N16 | C15 | C14 | 127.9° | 126.8° |
| C15 | N16 | H6 | 126.5° | 126.4° |
| N18 | N19 | C15 | 108.6° | 107.9° |
| N19 | C15 | C14 | 122.9° | 126.8° |
| C15 | C14 | C13 | 121.6° | 119.7° |
| C15 | C14 | N20 | 117.3° | 119.8° |
| C14 | C13 | C12 | 119.5° | 119.1° |
| C13 | C14 | N20 | 121.1° | 120.5° |
| C14 | C13 | H5 | 120.2° | 120.4° |
| C13 | C12 | C11 | 117.7° | 118.5° |
| C13 | C12 | H4 | 121.1° | 120.8° |
| C12 | C13 | H5 | 120.3° | 120.5° |
| C14 | N20 | C21 | 120.0° | 121.6° |
| C12 | C11 | C21 | 120.4° | 119.4° |
| C12 | C11 | S08 | 122.5° | 120.3° |
| C11 | C12 | H4 | 121.2° | 120.7° |
| N20 | C21 | C11 | 121.3° | 120.9° |
| N20 | C21 | H7 | 119.4° | 119.5° |
| C21 | C11 | S08 | 117.1° | 120.3° |
| C11 | C21 | H7 | 119.4° | 119.6° |
| C11 | S08 | O10 | 108.7° | 106.5° |
| C11 | S08 | O09 | 107.7° | 106.4° |
| C11 | S08 | N07 | 111.1° | 107.2° |
| O10 | S08 | O09 | 108.1° | 123.1° |
| O10 | S08 | N07 | 112.8° | 106.4° |
| O09 | S08 | N07 | 108.3° | 106.4° |
| S08 | N07 | C06 | 120.6° | 120.0° |
| S08 | N07 | H9 | 106.6° | 120.0° |
| N07 | C06 | B03 | 115.1° | 109.4° |
| N07 | C06 | H3 | 108.1° | 109.4° |
| N07 | C06 | H8 | 108.1° | 109.4° |
| C06 | N07 | H9 | 106.6° | 120.0° |
| C06 | B03 | O05 | 110.4° | 120.0° |
| C06 | B03 | O04 | 110.8° | 120.1° |
| B03 | C06 | H3 | 108.0° | 109.5° |
| B03 | C06 | H8 | 108.0° | 109.5° |
| O05 | B03 | O04 | 108.7° | 120.0° |
| B03 | O05 | H2 | 109.5° | 114.0° |
| B03 | O04 | H1 | 109.5° | 114.0° |
| H3 | C06 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | N16 | C15 | H6 | 180.0° | 179.9° |
| N16 | N17 | N18 | N19 | 0.9° | 0.0° |
| N17 | N16 | C15 | N19 | 3.4° | 0.0° |
| N17 | N16 | C15 | C14 | 178.1° | 179.7° |
| N18 | N17 | N16 | C15 | 1.5° | 0.0° |
| N17 | N18 | N19 | C15 | 2.9° | 0.0° |
| N18 | N17 | N16 | H6 | 178.5° | 179.9° |
| N16 | C15 | N19 | N18 | 4.0° | 0.0° |
| N16 | C15 | N19 | C14 | 175.0° | 179.7° |
| N16 | C15 | C14 | C13 | 15.8° | 179.8° |
| N16 | C15 | C14 | N20 | 161.4° | 0.3° |
| N18 | N19 | C15 | C14 | 179.0° | 179.7° |
| N19 | C15 | C14 | C13 | 170.2° | 0.1° |
| N19 | C15 | C14 | N20 | 12.6° | 180.0° |
| N19 | C15 | N16 | H6 | 176.6° | 179.9° |
| C15 | C14 | C13 | N20 | 177.1° | 179.9° |
| C15 | C14 | C13 | C12 | 178.2° | 180.0° |
| C15 | C14 | N20 | C21 | 178.8° | 180.0° |
| C15 | C14 | C13 | H5 | 1.8° | 0.1° |
| C14 | C15 | N16 | H6 | 1.9° | 0.2° |
| C14 | C13 | C12 | H5 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.3° | 0.1° |
| C13 | C14 | N20 | C21 | 1.6° | 0.1° |
| C14 | C13 | C12 | H4 | 179.7° | 180.0° |
| C12 | C13 | C14 | N20 | 1.1° | 0.1° |
| C13 | C12 | C11 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | C21 | 1.2° | 0.1° |
| C13 | C12 | C11 | S08 | 179.1° | 179.7° |
| C14 | N20 | C21 | C11 | 0.7° | 0.1° |
| N20 | C14 | C13 | H5 | 178.9° | 179.9° |
| C14 | N20 | C21 | H7 | 179.3° | 179.7° |
| C12 | C11 | C21 | N20 | 0.8° | 0.1° |
| C12 | C11 | C21 | S08 | 178.0° | 179.8° |
| C12 | C11 | S08 | O10 | 18.2° | 23.8° |
| C12 | C11 | S08 | O09 | 135.1° | 156.7° |
| C12 | C11 | S08 | N07 | 106.5° | 89.8° |
| C11 | C12 | C13 | H5 | 179.7° | 180.0° |
| C12 | C11 | C21 | H7 | 179.2° | 179.7° |
| N20 | C21 | C11 | H7 | 180.0° | 179.6° |
| N20 | C21 | C11 | S08 | 178.8° | 179.7° |
| C21 | C11 | S08 | O10 | 159.8° | 156.4° |
| C21 | C11 | S08 | O09 | 42.9° | 23.5° |
| C21 | C11 | S08 | N07 | 75.5° | 90.0° |
| C21 | C11 | C12 | H4 | 178.8° | 180.0° |
| C11 | S08 | O10 | O09 | 116.7° | 123.0° |
| C11 | S08 | O10 | N07 | 123.6° | 114.1° |
| C11 | S08 | O09 | N07 | 120.2° | 114.1° |
| C11 | S08 | N07 | C06 | 82.8° | 65.0° |
| S08 | C11 | C12 | H4 | 0.9° | 0.2° |
| S08 | C11 | C21 | H7 | 1.2° | 0.1° |
| C11 | S08 | N07 | H9 | 155.7° | 114.9° |
| O10 | S08 | O09 | N07 | 122.5° | 122.9° |
| O10 | S08 | N07 | C06 | 39.5° | 48.6° |
| O10 | S08 | N07 | H9 | 82.0° | 131.4° |
| O09 | S08 | N07 | C06 | 159.2° | 178.6° |
| O09 | S08 | N07 | H9 | 37.6° | 1.4° |
| S08 | N07 | C06 | H9 | 121.6° | 180.0° |
| S08 | N07 | C06 | B03 | 177.0° | 180.0° |
| S08 | N07 | C06 | H3 | 56.1° | 60.0° |
| S08 | N07 | C06 | H8 | 62.2° | 60.0° |
| N07 | C06 | B03 | H3 | 120.8° | 119.9° |
| N07 | C06 | B03 | H8 | 120.8° | 120.0° |
| N07 | C06 | B03 | O05 | 58.7° | 150.0° |
| N07 | C06 | B03 | O04 | 61.7° | 29.7° |
| N07 | C06 | H3 | H8 | 117.5° | 119.9° |
| C06 | B03 | O05 | O04 | 121.7° | 179.7° |
| C06 | B03 | O04 | H1 | 180.0° | 0.3° |
| C06 | B03 | O05 | H2 | 180.0° | 179.7° |
| B03 | C06 | H3 | H8 | 117.4° | 120.1° |
| B03 | C06 | N07 | H9 | 61.5° | 0.0° |
| O05 | B03 | O04 | H1 | 58.6° | 180.0° |
| O05 | B03 | C06 | H3 | 62.1° | 90.0° |
| O05 | B03 | C06 | H8 | 179.5° | 30.0° |
| O04 | B03 | O05 | H2 | 58.3° | 0.0° |
| O04 | B03 | C06 | H3 | 177.5° | 90.2° |
| O04 | B03 | C06 | H8 | 59.1° | 149.7° |
| H3 | C06 | N07 | H9 | 177.7° | 120.0° |
| H4 | C12 | C13 | H5 | 0.3° | 0.1° |
| H8 | C06 | N07 | H9 | 59.4° | 120.0° |
