JMZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | N15 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.45Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.46Å | 1.42Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.41Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | N16 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | N12 | sing | 1.40Å | 1.36Å | |
| C10 | N17 | doub | 1.31Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| C9 | N14 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | N13 | sing | 1.38Å | 1.40Å | |
| C11 | N15 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | N16 | sing | 1.32Å | 1.34Å | Aromatic |
| N14 | N17 | sing | 1.40Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N12 | HN1A | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| N13 | HN1B | sing | 0.97Å | 1.00Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | N15 | 123.9° | 119.3° |
| C4 | C3 | C8 | 116.3° | 118.5° |
| C3 | C4 | H4 | 118.0° | 120.3° |
| C4 | C3 | H3 | 121.8° | 120.8° |
| C4 | N15 | C11 | 115.7° | 121.0° |
| N15 | C4 | H4 | 118.0° | 120.4° |
| C6 | C5 | C9 | 115.8° | 119.7° |
| C5 | C6 | C8 | 118.6° | 119.8° |
| C5 | C6 | C1 | 120.1° | 120.4° |
| C6 | C5 | H5 | 122.1° | 120.2° |
| C5 | C9 | C7 | 125.1° | 119.5° |
| C5 | C9 | N14 | 129.3° | 133.6° |
| C9 | C5 | H5 | 122.1° | 120.1° |
| C8 | C6 | C1 | 121.3° | 119.8° |
| C6 | C8 | C3 | 120.9° | 120.5° |
| C6 | C8 | N16 | 117.4° | 120.5° |
| C6 | C1 | C2 | 123.8° | 120.5° |
| C6 | C1 | H1 | 118.1° | 119.8° |
| C10 | C7 | C2 | 136.0° | 133.8° |
| C10 | C7 | C9 | 105.3° | 106.3° |
| C7 | C10 | N12 | 124.3° | 126.1° |
| C7 | C10 | N17 | 110.6° | 107.7° |
| C2 | C7 | C9 | 118.7° | 120.0° |
| C7 | C2 | C1 | 116.5° | 120.0° |
| C7 | C2 | H2 | 121.7° | 120.0° |
| C7 | C9 | N14 | 105.6° | 106.8° |
| C3 | C8 | N16 | 121.6° | 118.9° |
| C8 | C3 | H3 | 121.8° | 120.8° |
| C8 | N16 | C11 | 117.6° | 120.6° |
| N12 | C10 | N17 | 125.2° | 126.2° |
| C10 | N12 | HN12 | 109.5° | 120.0° |
| C10 | N12 | HN1A | 109.5° | 120.0° |
| C10 | N17 | N14 | 105.1° | 110.1° |
| C2 | C1 | H1 | 118.1° | 119.7° |
| C1 | C2 | H2 | 121.7° | 120.0° |
| C9 | N14 | N17 | 113.3° | 109.2° |
| C9 | N14 | HN14 | 123.3° | 125.4° |
| N13 | C11 | N15 | 116.0° | 119.1° |
| N13 | C11 | N16 | 119.2° | 119.2° |
| C11 | N13 | HN13 | 109.5° | 120.1° |
| C11 | N13 | HN1B | 109.5° | 119.9° |
| N15 | C11 | N16 | 124.8° | 121.7° |
| N17 | N14 | HN14 | 123.3° | 125.4° |
| HN12 | N12 | HN1A | 109.5° | 120.0° |
| HN13 | N13 | HN1B | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | N15 | H4 | 180.0° | 179.8° |
| C4 | C3 | C8 | C6 | 177.4° | 180.0° |
| C4 | C3 | C8 | H3 | 180.0° | 180.0° |
| C4 | C3 | C8 | N16 | 0.2° | 0.0° |
| C3 | C4 | N15 | C11 | 0.4° | 0.1° |
| N15 | C4 | C3 | C8 | 0.7° | 0.0° |
| C4 | N15 | C11 | N13 | 179.7° | 179.9° |
| C4 | N15 | C11 | N16 | 0.3° | 0.1° |
| N15 | C4 | C3 | H3 | 179.3° | 180.0° |
| C6 | C5 | C9 | H5 | 180.0° | 179.7° |
| C5 | C6 | C8 | C1 | 179.8° | 180.0° |
| C6 | C5 | C9 | C7 | 0.4° | 0.0° |
| C5 | C6 | C8 | C3 | 168.5° | 180.0° |
| C5 | C6 | C8 | N16 | 9.2° | 0.0° |
| C5 | C6 | C1 | C2 | 1.3° | 0.0° |
| C6 | C5 | C9 | N14 | 179.4° | 180.0° |
| C5 | C6 | C1 | H1 | 178.6° | 180.0° |
| C9 | C5 | C6 | C8 | 179.6° | 180.0° |
| C9 | C5 | C6 | C1 | 0.6° | 0.0° |
| C5 | C9 | C7 | C10 | 179.4° | 180.0° |
| C5 | C9 | C7 | C2 | 0.8° | 0.0° |
| C5 | C9 | C7 | N14 | 179.2° | 180.0° |
| C5 | C9 | N14 | N17 | 179.2° | 180.0° |
| C5 | C9 | N14 | HN14 | 0.8° | 0.1° |
| C6 | C8 | C3 | N16 | 177.7° | 180.0° |
| C8 | C6 | C1 | C2 | 178.9° | 180.0° |
| C6 | C8 | N16 | C11 | 178.1° | 180.0° |
| C8 | C6 | C5 | H5 | 0.4° | 0.3° |
| C8 | C6 | C1 | H1 | 1.2° | 0.0° |
| C6 | C8 | C3 | H3 | 2.6° | 0.0° |
| C6 | C1 | C2 | C7 | 1.0° | 0.0° |
| C1 | C6 | C8 | C3 | 11.3° | 0.0° |
| C1 | C6 | C8 | N16 | 171.0° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.4° | 179.7° |
| C6 | C1 | C2 | H2 | 179.0° | 179.9° |
| C10 | C7 | C2 | C9 | 179.8° | 180.0° |
| C7 | C10 | N12 | N17 | 179.5° | 179.9° |
| C10 | C7 | C2 | C1 | 179.8° | 180.0° |
| C10 | C7 | C9 | N14 | 0.2° | 0.0° |
| C7 | C10 | N17 | N14 | 0.3° | 0.1° |
| C7 | C10 | N12 | HN12 | 179.5° | 0.0° |
| C7 | C10 | N12 | HN1A | 59.5° | 180.0° |
| C10 | C7 | C2 | H2 | 0.2° | 0.1° |
| C2 | C7 | C10 | N12 | 0.3° | 0.0° |
| C2 | C7 | C10 | N17 | 179.9° | 180.0° |
| C7 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C7 | C9 | N14 | 179.9° | 180.0° |
| C7 | C2 | C1 | H1 | 179.0° | 180.0° |
| C9 | C7 | C10 | N12 | 179.9° | 180.0° |
| C9 | C7 | C10 | N17 | 0.4° | 0.0° |
| C9 | C7 | C2 | C1 | 0.1° | 0.0° |
| C7 | C9 | N14 | N17 | 0.0° | 0.0° |
| C7 | C9 | C5 | H5 | 179.6° | 179.7° |
| C9 | C7 | C2 | H2 | 179.9° | 179.9° |
| C7 | C9 | N14 | HN14 | 179.9° | 179.9° |
| C3 | C8 | N16 | C11 | 0.4° | 0.0° |
| C8 | C3 | C4 | H4 | 179.3° | 179.8° |
| C8 | N16 | C11 | N13 | 179.3° | 180.0° |
| C8 | N16 | C11 | N15 | 0.7° | 0.1° |
| N16 | C8 | C3 | H3 | 179.8° | 180.0° |
| N12 | C10 | N17 | N14 | 179.9° | 180.0° |
| C10 | N12 | HN12 | HN1A | 120.0° | 180.0° |
| C10 | N17 | N14 | C9 | 0.2° | 0.1° |
| N17 | C10 | N12 | HN12 | 0.0° | 179.9° |
| N17 | C10 | N12 | HN1A | 120.0° | 0.1° |
| C10 | N17 | N14 | HN14 | 179.8° | 179.9° |
| C9 | N14 | N17 | HN14 | 180.0° | 180.0° |
| N14 | C9 | C5 | H5 | 0.6° | 0.3° |
| N13 | C11 | N15 | N16 | 180.0° | 179.9° |
| C11 | N13 | HN13 | HN1B | 120.0° | 180.0° |
| C11 | N15 | C4 | H4 | 179.6° | 179.7° |
| N15 | C11 | N13 | HN13 | 0.0° | 0.0° |
| N15 | C11 | N13 | HN1B | 120.0° | 180.0° |
| N16 | C11 | N13 | HN13 | 180.0° | 180.0° |
| N16 | C11 | N13 | HN1B | 60.0° | 0.0° |
| H4 | C4 | C3 | H3 | 0.7° | 0.2° |
| H1 | C1 | C2 | H2 | 1.0° | 0.1° |
