JFS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | N07 | doub | 1.30Å | 1.30Å | Aromatic |
| C08 | N09 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| N07 | C05 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| O17 | C16 | sing | 1.43Å | 1.39Å | |
| N09 | C10 | sing | 1.40Å | 1.42Å | |
| N09 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.45Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.35Å | Aromatic |
| C13 | C16 | sing | 1.51Å | 1.56Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.34Å | Aromatic |
| C06 | C01 | doub | 1.37Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C08 | N09 | 115.0° | 110.0° |
| C08 | N07 | C05 | 105.1° | 109.8° |
| N07 | C08 | H081 | 122.5° | 125.0° |
| C08 | N09 | C10 | 126.2° | 126.4° |
| C08 | N09 | C04 | 106.4° | 107.2° |
| N09 | C08 | H081 | 122.5° | 125.0° |
| C14 | C15 | C10 | 121.0° | 119.9° |
| C15 | C14 | C13 | 122.6° | 120.1° |
| C14 | C15 | H151 | 119.5° | 120.0° |
| C15 | C14 | H141 | 118.7° | 120.0° |
| C15 | C10 | N09 | 118.7° | 120.1° |
| C15 | C10 | C11 | 117.8° | 119.9° |
| C10 | C15 | H151 | 119.5° | 120.1° |
| N07 | C05 | C04 | 108.9° | 106.9° |
| N07 | C05 | C06 | 133.7° | 133.6° |
| C14 | C13 | C16 | 123.4° | 119.9° |
| C14 | C13 | C12 | 113.3° | 120.1° |
| C13 | C14 | H141 | 118.7° | 120.0° |
| O17 | C16 | C13 | 113.6° | 109.5° |
| O17 | C16 | H162 | 108.4° | 109.5° |
| O17 | C16 | H161 | 108.4° | 109.5° |
| C16 | O17 | H171 | 109.5° | 113.9° |
| C10 | N09 | C04 | 127.3° | 126.4° |
| N09 | C10 | C11 | 123.6° | 120.0° |
| N09 | C04 | C05 | 104.5° | 106.0° |
| N09 | C04 | C03 | 137.4° | 134.1° |
| C10 | C11 | C12 | 120.6° | 119.9° |
| C10 | C11 | H111 | 119.7° | 120.1° |
| C04 | C05 | C06 | 117.4° | 119.5° |
| C05 | C04 | C03 | 118.1° | 119.8° |
| C05 | C06 | C01 | 123.3° | 119.9° |
| C05 | C06 | H061 | 118.3° | 120.1° |
| C16 | C13 | C12 | 123.2° | 119.9° |
| C13 | C16 | H162 | 108.4° | 109.5° |
| C13 | C16 | H161 | 108.4° | 109.5° |
| C13 | C12 | C11 | 124.6° | 120.1° |
| C13 | C12 | H121 | 117.7° | 119.9° |
| C04 | C03 | C02 | 122.1° | 119.7° |
| C04 | C03 | H031 | 118.9° | 120.1° |
| C06 | C01 | C02 | 120.1° | 120.7° |
| C06 | C01 | H011 | 120.0° | 119.7° |
| C01 | C06 | H061 | 118.3° | 120.1° |
| C12 | C11 | H111 | 119.7° | 120.0° |
| C11 | C12 | H121 | 117.7° | 120.0° |
| C03 | C02 | C01 | 119.0° | 120.5° |
| C03 | C02 | H021 | 120.5° | 119.8° |
| C02 | C03 | H031 | 119.0° | 120.2° |
| C02 | C01 | H011 | 120.0° | 119.6° |
| C01 | C02 | H021 | 120.5° | 119.8° |
| H162 | C16 | H161 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C08 | N09 | H081 | 180.0° | 179.9° |
| N07 | C08 | N09 | C10 | 179.2° | 180.0° |
| N07 | C08 | N09 | C04 | 0.2° | 0.0° |
| C08 | N07 | C05 | C04 | 1.6° | 0.0° |
| C08 | N07 | C05 | C06 | 179.3° | 179.7° |
| C08 | N09 | C10 | C15 | 46.6° | 129.7° |
| N09 | C08 | N07 | C05 | 0.9° | 0.0° |
| C08 | N09 | C10 | C04 | 179.3° | 180.0° |
| C08 | N09 | C10 | C11 | 134.3° | 50.0° |
| C08 | N09 | C04 | C05 | 1.1° | 0.0° |
| C08 | N09 | C04 | C03 | 178.7° | 180.0° |
| C14 | C15 | C10 | H151 | 180.0° | 180.0° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C14 | C15 | C10 | N09 | 179.1° | 179.7° |
| C14 | C15 | C10 | C11 | 0.1° | 0.0° |
| C15 | C14 | C13 | C16 | 178.2° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C10 | C15 | C14 | C13 | 0.6° | 0.0° |
| C15 | C10 | N09 | C11 | 179.1° | 179.7° |
| C15 | C10 | N09 | C04 | 132.6° | 50.3° |
| C15 | C10 | C11 | C12 | 1.1° | 0.0° |
| C15 | C10 | C11 | H111 | 178.9° | 180.0° |
| C10 | C15 | C14 | H141 | 179.4° | 180.0° |
| N07 | C05 | C04 | N09 | 1.7° | 0.0° |
| N07 | C05 | C04 | C06 | 179.3° | 179.7° |
| N07 | C05 | C04 | C03 | 179.9° | 180.0° |
| N07 | C05 | C06 | C01 | 179.6° | 179.9° |
| N07 | C05 | C06 | H061 | 0.4° | 0.3° |
| C05 | N07 | C08 | H081 | 179.1° | 180.0° |
| C14 | C13 | C16 | O17 | 25.0° | 90.0° |
| C14 | C13 | C16 | C12 | 178.1° | 180.0° |
| C14 | C13 | C12 | C11 | 1.1° | 0.1° |
| C13 | C14 | C15 | H151 | 179.3° | 180.0° |
| C14 | C13 | C12 | H121 | 178.9° | 180.0° |
| C14 | C13 | C16 | H162 | 145.7° | 30.0° |
| C14 | C13 | C16 | H161 | 95.6° | 150.0° |
| O17 | C16 | C13 | H162 | 120.6° | 120.0° |
| O17 | C16 | C13 | H161 | 120.6° | 120.0° |
| O17 | C16 | C13 | C12 | 156.9° | 90.0° |
| O17 | C16 | H162 | H161 | 118.1° | 120.0° |
| C10 | N09 | C04 | C05 | 178.2° | 180.0° |
| C10 | N09 | C04 | C03 | 0.7° | 0.1° |
| N09 | C10 | C11 | C12 | 179.8° | 179.7° |
| N09 | C10 | C15 | H151 | 0.9° | 0.3° |
| C10 | N09 | C08 | H081 | 0.8° | 0.1° |
| N09 | C10 | C11 | H111 | 0.2° | 0.3° |
| C04 | N09 | C10 | C11 | 46.5° | 130.0° |
| N09 | C04 | C05 | C03 | 178.2° | 180.0° |
| N09 | C04 | C05 | C06 | 179.0° | 179.7° |
| N09 | C04 | C03 | C02 | 177.9° | 180.0° |
| N09 | C04 | C03 | H031 | 2.2° | 0.1° |
| C04 | N09 | C08 | H081 | 179.8° | 180.0° |
| C10 | C11 | C12 | C13 | 1.7° | 0.1° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C11 | C10 | C15 | H151 | 179.9° | 180.0° |
| C10 | C11 | C12 | H121 | 178.3° | 180.0° |
| C04 | C05 | C06 | C01 | 0.6° | 0.5° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | H031 | 179.5° | 180.0° |
| C04 | C05 | C06 | H061 | 179.4° | 180.0° |
| C06 | C05 | C04 | C03 | 0.9° | 0.2° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C16 | C13 | C12 | C11 | 179.4° | 179.9° |
| C16 | C13 | C12 | H121 | 0.6° | 0.0° |
| C16 | C13 | C14 | H141 | 1.8° | 0.0° |
| C13 | C16 | H162 | H161 | 118.1° | 120.0° |
| C13 | C16 | O17 | H171 | 180.0° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | H111 | 178.3° | 179.9° |
| C12 | C13 | C14 | H141 | 179.9° | 180.0° |
| C12 | C13 | C16 | H162 | 36.2° | 150.0° |
| C12 | C13 | C16 | H161 | 82.5° | 30.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.1° | 0.1° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C06 | C01 | C02 | C03 | 0.5° | 0.2° |
| C06 | C01 | C02 | H011 | 180.0° | 179.9° |
| C06 | C01 | C02 | H021 | 179.5° | 179.8° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | H011 | 179.5° | 180.0° |
| C01 | C02 | C03 | H031 | 179.8° | 180.0° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| H151 | C15 | C14 | H141 | 0.6° | 0.0° |
| H011 | C01 | C02 | H021 | 0.5° | 0.1° |
| H011 | C01 | C06 | H061 | 0.1° | 0.1° |
| H021 | C02 | C03 | H031 | 0.2° | 0.0° |
| H111 | C11 | C12 | H121 | 1.7° | 0.0° |
| H162 | C16 | O17 | H171 | 59.4° | 59.9° |
| H161 | C16 | O17 | H171 | 59.3° | 60.1° |
