0EC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C1 | doub | 1.33Å | 1.33Å | Aromatic |
| C1 | N11 | sing | 1.38Å | 1.32Å | |
| C1 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | N2 | doub | 1.34Å | 1.32Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.35Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.34Å | Aromatic |
| C10 | C4 | sing | 1.40Å | 1.34Å | Aromatic |
| N5 | C5 | sing | 1.38Å | 1.33Å | |
| C5 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| HN5A | N5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.40Å | 1.34Å | Aromatic |
| C8 | O8 | sing | 1.36Å | 1.42Å | |
| C8A | O8 | sing | 1.43Å | 1.40Å | |
| C10 | C9 | doub | 1.37Å | 1.35Å | Aromatic |
| O9 | C9 | sing | 1.36Å | 1.42Å | |
| C9A | O9 | sing | 1.43Å | 1.40Å | |
| H10 | C10 | sing | 1.08Å | 1.08Å | |
| C16 | N11 | sing | 1.47Å | 1.37Å | |
| N11 | C12 | sing | 1.47Å | 1.34Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N14 | C13 | sing | 1.47Å | 1.38Å | |
| H13 | C13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | N14 | sing | 1.47Å | 1.38Å | |
| N14 | HN14 | sing | 1.01Å | 1.00Å | |
| H15A | C15 | sing | 1.09Å | 1.10Å | |
| H15 | C15 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| H16 | C16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| H8A | C8A | sing | 1.09Å | 1.10Å | |
| H8AB | C8A | sing | 1.09Å | 1.10Å | |
| C8A | H8AA | sing | 1.09Å | 1.10Å | |
| H9AB | C9A | sing | 1.09Å | 1.10Å | |
| H9AA | C9A | sing | 1.09Å | 1.10Å | |
| C9A | H9A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C1 | N11 | 120.0° | 118.7° |
| N6 | C1 | N2 | 120.6° | 122.7° |
| C1 | N6 | C5 | 120.0° | 121.4° |
| N11 | C1 | N2 | 119.5° | 118.6° |
| C1 | N11 | C16 | 117.6° | 111.0° |
| C1 | N11 | C12 | 116.4° | 111.0° |
| C1 | N2 | C3 | 120.0° | 120.4° |
| N2 | C3 | C4 | 119.9° | 118.8° |
| N2 | C3 | C7 | 119.6° | 121.8° |
| C4 | C3 | C7 | 120.4° | 119.4° |
| C3 | C4 | C5 | 119.9° | 118.2° |
| C3 | C4 | C10 | 119.9° | 119.9° |
| C3 | C7 | C8 | 119.1° | 119.5° |
| C3 | C7 | H7 | 120.4° | 120.2° |
| C5 | C4 | C10 | 120.2° | 121.9° |
| C4 | C5 | N5 | 120.3° | 120.8° |
| C4 | C5 | N6 | 119.6° | 118.4° |
| C4 | C10 | C9 | 119.7° | 119.7° |
| C4 | C10 | H10 | 120.1° | 120.1° |
| N5 | C5 | N6 | 120.1° | 120.8° |
| C5 | N5 | HN5A | 109.5° | 120.0° |
| C5 | N5 | HN5 | 109.5° | 120.0° |
| HN5A | N5 | HN5 | 109.5° | 120.0° |
| C8 | C7 | H7 | 120.5° | 120.3° |
| C7 | C8 | C9 | 118.4° | 120.7° |
| C7 | C8 | O8 | 117.7° | 119.6° |
| C9 | C8 | O8 | 119.3° | 119.6° |
| C8 | C9 | C10 | 120.2° | 120.8° |
| C8 | C9 | O9 | 119.7° | 119.6° |
| C8 | O8 | C8A | 108.1° | 117.0° |
| O8 | C8A | H8A | 109.5° | 109.5° |
| O8 | C8A | H8AB | 109.5° | 109.5° |
| O8 | C8A | H8AA | 109.5° | 109.5° |
| C10 | C9 | O9 | 120.0° | 119.6° |
| C9 | C10 | H10 | 120.1° | 120.2° |
| C9 | O9 | C9A | 108.7° | 117.0° |
| O9 | C9A | H9AB | 109.5° | 109.5° |
| O9 | C9A | H9AA | 109.5° | 109.4° |
| O9 | C9A | H9A | 109.5° | 109.5° |
| C16 | N11 | C12 | 110.4° | 110.9° |
| N11 | C16 | C15 | 109.9° | 109.4° |
| N11 | C16 | H16 | 109.4° | 109.4° |
| N11 | C16 | H16A | 109.4° | 109.4° |
| N11 | C12 | C13 | 110.1° | 109.4° |
| N11 | C12 | H12 | 109.3° | 109.5° |
| N11 | C12 | H12A | 109.3° | 109.5° |
| C13 | C12 | H12 | 109.3° | 109.5° |
| C13 | C12 | H12A | 109.3° | 109.6° |
| C12 | C13 | N14 | 109.6° | 109.4° |
| C12 | C13 | H13 | 109.4° | 109.4° |
| C12 | C13 | H13A | 109.4° | 109.4° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| N14 | C13 | H13 | 109.4° | 109.6° |
| N14 | C13 | H13A | 109.4° | 109.5° |
| C13 | N14 | C15 | 107.2° | 110.9° |
| C13 | N14 | HN14 | 110.0° | 111.0° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| C15 | N14 | HN14 | 110.1° | 111.0° |
| N14 | C15 | H15A | 109.5° | 109.5° |
| N14 | C15 | H15 | 109.5° | 109.6° |
| N14 | C15 | C16 | 109.3° | 109.4° |
| H15A | C15 | H15 | 109.5° | 109.5° |
| H15A | C15 | C16 | 109.5° | 109.4° |
| H15 | C15 | C16 | 109.5° | 109.4° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C15 | C16 | H16A | 109.4° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H8A | C8A | H8AB | 109.4° | 109.5° |
| H8A | C8A | H8AA | 109.5° | 109.4° |
| H8AB | C8A | H8AA | 109.5° | 109.5° |
| H9AB | C9A | H9AA | 109.5° | 109.5° |
| H9AB | C9A | H9A | 109.5° | 109.5° |
| H9AA | C9A | H9A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C1 | N11 | N2 | 179.1° | 179.7° |
| N6 | C1 | N2 | C3 | 1.7° | 0.3° |
| C1 | N6 | C5 | C4 | 0.3° | 0.6° |
| C1 | N6 | C5 | N5 | 178.0° | 179.7° |
| N6 | C1 | N11 | C16 | 19.0° | 124.1° |
| N6 | C1 | N11 | C12 | 153.4° | 0.2° |
| N11 | C1 | N2 | C3 | 179.2° | 180.0° |
| N11 | C1 | N6 | C5 | 179.2° | 179.7° |
| C1 | N11 | C16 | C12 | 137.0° | 123.9° |
| C1 | N11 | C12 | C13 | 79.3° | 176.8° |
| C1 | N11 | C12 | H12 | 40.8° | 63.3° |
| C1 | N11 | C12 | H12A | 160.6° | 56.7° |
| C1 | N11 | C16 | C15 | 78.7° | 176.9° |
| C1 | N11 | C16 | H16 | 161.2° | 56.8° |
| C1 | N11 | C16 | H16A | 41.3° | 63.2° |
| C1 | N2 | C3 | C4 | 3.4° | 0.0° |
| C1 | N2 | C3 | C7 | 178.8° | 180.0° |
| N2 | C1 | N6 | C5 | 0.1° | 0.7° |
| N2 | C1 | N11 | C16 | 160.2° | 56.2° |
| N2 | C1 | N11 | C12 | 25.7° | 179.9° |
| N2 | C3 | C4 | C7 | 177.7° | 180.0° |
| N2 | C3 | C4 | C5 | 3.6° | 0.0° |
| N2 | C3 | C4 | C10 | 178.9° | 180.0° |
| N2 | C3 | C7 | C8 | 171.3° | 180.0° |
| N2 | C3 | C7 | H7 | 8.7° | 0.0° |
| C3 | C4 | C5 | C10 | 177.5° | 180.0° |
| C3 | C4 | C5 | N5 | 179.7° | 180.0° |
| C3 | C4 | C5 | N6 | 2.0° | 0.3° |
| C4 | C3 | C7 | C8 | 6.4° | 0.0° |
| C4 | C3 | C7 | H7 | 173.6° | 180.0° |
| C3 | C4 | C10 | C9 | 0.7° | 0.2° |
| C3 | C4 | C10 | H10 | 179.3° | 179.9° |
| C7 | C3 | C4 | C5 | 178.7° | 180.0° |
| C7 | C3 | C4 | C10 | 1.2° | 0.0° |
| C3 | C7 | C8 | H7 | 180.0° | 180.0° |
| C3 | C7 | C8 | C9 | 15.8° | 0.0° |
| C3 | C7 | C8 | O8 | 140.0° | 180.0° |
| C4 | C5 | N5 | N6 | 177.7° | 179.7° |
| C4 | C5 | N5 | HN5A | 177.7° | 180.0° |
| C4 | C5 | N5 | HN5 | 62.3° | 0.1° |
| C5 | C4 | C10 | C9 | 176.8° | 179.9° |
| C5 | C4 | C10 | H10 | 3.2° | 0.1° |
| C10 | C4 | C5 | N5 | 2.8° | 0.1° |
| C10 | C4 | C5 | N6 | 179.5° | 179.8° |
| C4 | C10 | C9 | C8 | 10.5° | 0.2° |
| C4 | C10 | C9 | H10 | 180.0° | 179.7° |
| C4 | C10 | C9 | O9 | 165.6° | 179.9° |
| C5 | N5 | HN5A | HN5 | 120.0° | 179.9° |
| N6 | C5 | N5 | HN5A | 0.0° | 0.4° |
| N6 | C5 | N5 | HN5 | 120.0° | 179.7° |
| C7 | C8 | C9 | O8 | 155.4° | 179.9° |
| C7 | C8 | O8 | C8A | 64.4° | 0.0° |
| C7 | C8 | C9 | C10 | 17.9° | 0.2° |
| C7 | C8 | C9 | O9 | 158.1° | 180.0° |
| H7 | C7 | C8 | C9 | 164.2° | 180.0° |
| H7 | C7 | C8 | O8 | 40.0° | 0.0° |
| C9 | C8 | O8 | C8A | 91.2° | 180.0° |
| C8 | C9 | C10 | O9 | 176.0° | 179.8° |
| C8 | C9 | O9 | C9A | 68.3° | 180.0° |
| C8 | C9 | C10 | H10 | 169.5° | 180.0° |
| O8 | C8 | C9 | C10 | 137.5° | 179.9° |
| O8 | C8 | C9 | O9 | 46.5° | 0.0° |
| C8 | O8 | C8A | H8A | 180.0° | 60.0° |
| C8 | O8 | C8A | H8AB | 60.0° | 60.0° |
| C8 | O8 | C8A | H8AA | 60.0° | 180.0° |
| O8 | C8A | H8A | H8AB | 120.0° | 120.0° |
| O8 | C8A | H8A | H8AA | 120.0° | 120.0° |
| O8 | C8A | H8AB | H8AA | 120.0° | 120.0° |
| C10 | C9 | O9 | C9A | 115.7° | 0.1° |
| O9 | C9 | C10 | H10 | 14.4° | 0.2° |
| C9 | O9 | C9A | H9AB | 180.0° | 60.0° |
| C9 | O9 | C9A | H9AA | 60.0° | 60.0° |
| C9 | O9 | C9A | H9A | 60.0° | 180.0° |
| O9 | C9A | H9AB | H9AA | 120.0° | 119.9° |
| O9 | C9A | H9AB | H9A | 120.0° | 120.0° |
| O9 | C9A | H9AA | H9A | 120.0° | 120.0° |
| C16 | N11 | C12 | C13 | 58.3° | 59.3° |
| C16 | N11 | C12 | H12 | 178.3° | 60.7° |
| C16 | N11 | C12 | H12A | 61.8° | 179.4° |
| N11 | C16 | C15 | N14 | 60.1° | 58.3° |
| N11 | C16 | C15 | H15A | 59.8° | 61.6° |
| N11 | C16 | C15 | H15 | 179.9° | 178.4° |
| N11 | C16 | C15 | H16 | 120.1° | 120.0° |
| N11 | C16 | C15 | H16A | 120.1° | 119.9° |
| N11 | C16 | H16 | H16A | 119.8° | 120.0° |
| N11 | C12 | C13 | H12 | 120.1° | 119.9° |
| N11 | C12 | C13 | H12A | 120.1° | 120.1° |
| N11 | C12 | H12 | H12A | 119.8° | 120.0° |
| N11 | C12 | C13 | N14 | 60.8° | 58.3° |
| N11 | C12 | C13 | H13 | 59.2° | 178.4° |
| N11 | C12 | C13 | H13A | 179.2° | 61.6° |
| C12 | N11 | C16 | C15 | 58.2° | 59.3° |
| C12 | N11 | C16 | H16 | 61.8° | 179.3° |
| C12 | N11 | C16 | H16A | 178.3° | 60.7° |
| C13 | C12 | H12 | H12A | 119.7° | 120.1° |
| C12 | C13 | N14 | H13 | 120.0° | 120.0° |
| C12 | C13 | N14 | H13A | 120.0° | 119.9° |
| C12 | C13 | H13 | H13A | 119.9° | 120.0° |
| C12 | C13 | N14 | C15 | 61.6° | 59.3° |
| C12 | C13 | N14 | HN14 | 178.7° | 64.6° |
| H12 | C12 | C13 | N14 | 179.1° | 61.6° |
| H12 | C12 | C13 | H13 | 60.9° | 58.5° |
| H12 | C12 | C13 | H13A | 59.1° | 178.5° |
| H12A | C12 | C13 | N14 | 59.3° | 178.4° |
| H12A | C12 | C13 | H13 | 179.3° | 61.6° |
| H12A | C12 | C13 | H13A | 60.7° | 58.4° |
| N14 | C13 | H13 | H13A | 119.9° | 120.1° |
| C13 | N14 | C15 | HN14 | 119.6° | 123.9° |
| C13 | N14 | C15 | H15A | 58.4° | 60.6° |
| C13 | N14 | C15 | H15 | 178.5° | 179.3° |
| C13 | N14 | C15 | C16 | 61.5° | 59.3° |
| H13 | C13 | N14 | C15 | 58.4° | 179.3° |
| H13 | C13 | N14 | HN14 | 61.3° | 55.4° |
| H13A | C13 | N14 | C15 | 178.4° | 60.6° |
| H13A | C13 | N14 | HN14 | 58.7° | 175.5° |
| N14 | C15 | H15A | H15 | 120.1° | 120.2° |
| N14 | C15 | H15A | C16 | 119.8° | 119.9° |
| N14 | C15 | H15 | C16 | 119.8° | 120.0° |
| N14 | C15 | C16 | H16 | 59.9° | 178.3° |
| N14 | C15 | C16 | H16A | 179.8° | 61.6° |
| HN14 | N14 | C15 | H15A | 61.2° | 175.5° |
| HN14 | N14 | C15 | H15 | 58.8° | 55.4° |
| HN14 | N14 | C15 | C16 | 178.8° | 64.6° |
| H15A | C15 | H15 | C16 | 120.1° | 119.9° |
| H15A | C15 | C16 | H16 | 179.9° | 58.4° |
| H15A | C15 | C16 | H16A | 60.3° | 178.5° |
| H15 | C15 | C16 | H16 | 60.1° | 61.6° |
| H15 | C15 | C16 | H16A | 59.8° | 58.5° |
| C15 | C16 | H16 | H16A | 119.8° | 120.1° |
| H8A | C8A | H8AB | H8AA | 120.0° | 120.0° |
| H9AB | C9A | H9AA | H9A | 120.0° | 120.0° |
