A1EE9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.35Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.34Å | 1.32Å | Aromatic |
| C14 | N06 | sing | 1.37Å | 1.32Å | Aromatic |
| N12 | C11 | doub | 1.30Å | 1.32Å | Aromatic |
| N06 | C11 | sing | 1.35Å | 1.32Å | Aromatic |
| N06 | C05 | sing | 1.47Å | 1.45Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| O03 | P02 | doub | 1.48Å | 1.46Å | |
| C04 | P02 | sing | 1.82Å | 1.86Å | |
| C04 | P07 | sing | 1.82Å | 1.86Å | |
| P02 | O01 | sing | 1.61Å | 1.46Å | |
| P02 | O15 | sing | 1.61Å | 1.65Å | |
| O09 | P07 | doub | 1.48Å | 1.51Å | |
| P07 | O10 | sing | 1.61Å | 1.51Å | |
| P07 | O08 | sing | 1.61Å | 1.51Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| O01 | H7 | sing | 0.97Å | 0.95Å | |
| O08 | H8 | sing | 0.97Å | 0.95Å | |
| O10 | H9 | sing | 0.97Å | 0.95Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | N12 | 107.2° | 108.0° |
| C13 | C14 | N06 | 106.4° | 106.8° |
| C14 | C13 | H1 | 126.4° | 126.0° |
| C13 | C14 | H6 | 126.8° | 126.6° |
| C13 | N12 | C11 | 108.3° | 109.2° |
| N12 | C13 | H1 | 126.4° | 126.0° |
| C14 | N06 | C11 | 108.8° | 107.2° |
| C14 | N06 | C05 | 126.1° | 126.4° |
| N06 | C14 | H6 | 126.8° | 126.6° |
| N12 | C11 | N06 | 109.3° | 108.7° |
| N12 | C11 | H5 | 125.4° | 125.7° |
| C11 | N06 | C05 | 125.1° | 126.4° |
| N06 | C11 | H5 | 125.3° | 125.6° |
| N06 | C05 | C04 | 112.5° | 109.5° |
| N06 | C05 | H3 | 108.7° | 109.5° |
| N06 | C05 | H4 | 108.7° | 109.5° |
| C05 | C04 | P02 | 107.1° | 109.4° |
| C05 | C04 | P07 | 110.6° | 109.5° |
| C05 | C04 | H2 | 112.6° | 109.5° |
| C04 | C05 | H3 | 108.7° | 109.5° |
| C04 | C05 | H4 | 108.7° | 109.5° |
| O03 | P02 | C04 | 110.8° | 109.5° |
| O03 | P02 | O01 | 101.2° | 109.5° |
| O03 | P02 | O15 | 111.7° | 109.5° |
| P02 | C04 | P07 | 109.6° | 109.5° |
| C04 | P02 | O01 | 110.8° | 109.5° |
| C04 | P02 | O15 | 110.6° | 109.4° |
| P02 | C04 | H2 | 108.4° | 109.5° |
| C04 | P07 | O09 | 109.5° | 109.4° |
| C04 | P07 | O10 | 109.3° | 109.4° |
| C04 | P07 | O08 | 109.6° | 109.4° |
| P07 | C04 | H2 | 108.4° | 109.5° |
| O01 | P02 | O15 | 111.5° | 109.4° |
| P02 | O01 | H7 | 109.5° | 114.0° |
| P02 | O15 | H10 | 109.5° | 114.0° |
| O09 | P07 | O10 | 109.5° | 109.5° |
| O09 | P07 | O08 | 109.4° | 109.5° |
| O10 | P07 | O08 | 109.5° | 109.5° |
| P07 | O10 | H9 | 109.5° | 114.0° |
| P07 | O08 | H8 | 109.5° | 114.0° |
| H3 | C05 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | N12 | H1 | 180.0° | 179.9° |
| C13 | C14 | N06 | H6 | 180.0° | 179.9° |
| C14 | C13 | N12 | C11 | 0.1° | 0.1° |
| C13 | C14 | N06 | C11 | 0.0° | 0.0° |
| C13 | C14 | N06 | C05 | 179.6° | 180.0° |
| N12 | C13 | C14 | N06 | 0.1° | 0.0° |
| C13 | N12 | C11 | N06 | 0.1° | 0.0° |
| C13 | N12 | C11 | H5 | 180.0° | 180.0° |
| N12 | C13 | C14 | H6 | 179.9° | 180.0° |
| C14 | N06 | C11 | N12 | 0.0° | 0.0° |
| C14 | N06 | C11 | C05 | 179.5° | 180.0° |
| C14 | N06 | C05 | C04 | 57.5° | 82.9° |
| N06 | C14 | C13 | H1 | 179.9° | 180.0° |
| C14 | N06 | C05 | H3 | 62.9° | 37.1° |
| C14 | N06 | C05 | H4 | 178.0° | 157.1° |
| C14 | N06 | C11 | H5 | 180.0° | 180.0° |
| N12 | C11 | N06 | H5 | 180.0° | 179.9° |
| N12 | C11 | N06 | C05 | 179.5° | 180.0° |
| C11 | N12 | C13 | H1 | 179.9° | 180.0° |
| C11 | N06 | C05 | C04 | 123.0° | 97.1° |
| C11 | N06 | C05 | H3 | 116.6° | 142.9° |
| C11 | N06 | C05 | H4 | 2.5° | 22.9° |
| C11 | N06 | C14 | H6 | 180.0° | 179.9° |
| N06 | C05 | C04 | H3 | 120.4° | 120.0° |
| N06 | C05 | C04 | H4 | 120.5° | 120.0° |
| N06 | C05 | C04 | P02 | 171.5° | 66.2° |
| N06 | C05 | C04 | P07 | 69.1° | 173.8° |
| N06 | C05 | C04 | H2 | 52.3° | 53.8° |
| N06 | C05 | H3 | H4 | 118.6° | 120.0° |
| C05 | N06 | C11 | H5 | 0.5° | 0.1° |
| C05 | N06 | C14 | H6 | 0.4° | 0.1° |
| C05 | C04 | P02 | O03 | 58.5° | 60.0° |
| C05 | C04 | P02 | P07 | 120.0° | 120.0° |
| C05 | C04 | P02 | H2 | 121.8° | 120.0° |
| C05 | C04 | P07 | H2 | 123.9° | 120.0° |
| C05 | C04 | P02 | O01 | 53.0° | 60.0° |
| C05 | C04 | P02 | O15 | 177.1° | 180.0° |
| C05 | C04 | P07 | O09 | 70.1° | 48.5° |
| C05 | C04 | P07 | O10 | 49.9° | 71.5° |
| C05 | C04 | P07 | O08 | 169.8° | 168.5° |
| C04 | C05 | H3 | H4 | 118.6° | 120.0° |
| O03 | P02 | C04 | O01 | 111.5° | 120.1° |
| O03 | P02 | C04 | O15 | 124.4° | 120.0° |
| O03 | P02 | C04 | P07 | 178.5° | 60.0° |
| O03 | P02 | O01 | O15 | 118.9° | 120.0° |
| O03 | P02 | C04 | H2 | 63.3° | 180.0° |
| O03 | P02 | O01 | H7 | 0.0° | 180.0° |
| O03 | P02 | O15 | H10 | 0.0° | 60.0° |
| P02 | C04 | P07 | H2 | 118.2° | 120.0° |
| C04 | P02 | O01 | O15 | 123.6° | 120.0° |
| P02 | C04 | P07 | O09 | 172.0° | 71.5° |
| P02 | C04 | P07 | O10 | 68.0° | 168.5° |
| P02 | C04 | P07 | O08 | 52.0° | 48.5° |
| P02 | C04 | C05 | H3 | 51.1° | 173.8° |
| P02 | C04 | C05 | H4 | 68.0° | 53.8° |
| C04 | P02 | O01 | H7 | 117.5° | 59.9° |
| C04 | P02 | O15 | H10 | 123.9° | 180.0° |
| P07 | C04 | P02 | O01 | 67.0° | 180.0° |
| P07 | C04 | P02 | O15 | 57.1° | 60.0° |
| C04 | P07 | O09 | O10 | 119.8° | 120.0° |
| C04 | P07 | O09 | O08 | 120.2° | 120.0° |
| C04 | P07 | O10 | O08 | 120.1° | 120.0° |
| P07 | C04 | C05 | H3 | 170.4° | 53.8° |
| P07 | C04 | C05 | H4 | 51.3° | 66.2° |
| C04 | P07 | O08 | H8 | 120.1° | 60.0° |
| C04 | P07 | O10 | H9 | 120.0° | 62.3° |
| O01 | P02 | C04 | H2 | 174.8° | 60.0° |
| O01 | P02 | O15 | H10 | 112.4° | 60.0° |
| O15 | P02 | C04 | H2 | 61.1° | 60.0° |
| O15 | P02 | O01 | H7 | 118.9° | 60.0° |
| O09 | P07 | O10 | O08 | 120.0° | 120.1° |
| O09 | P07 | C04 | H2 | 53.9° | 168.5° |
| O09 | P07 | O08 | H8 | 0.0° | 59.9° |
| O09 | P07 | O10 | H9 | 0.0° | 57.7° |
| O10 | P07 | C04 | H2 | 173.8° | 48.5° |
| O10 | P07 | O08 | H8 | 120.0° | 180.0° |
| O08 | P07 | C04 | H2 | 66.2° | 71.5° |
| O08 | P07 | O10 | H9 | 120.0° | 177.7° |
| H1 | C13 | C14 | H6 | 0.1° | 0.1° |
| H2 | C04 | C05 | H3 | 68.1° | 66.2° |
| H2 | C04 | C05 | H4 | 172.8° | 173.8° |
