JFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N18 | C15 | sing | 1.40Å | 1.43Å | |
| C08 | C07 | doub | 1.39Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.48Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.46Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.36Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.46Å | Aromatic |
| C12 | O11 | sing | 1.36Å | 1.45Å | |
| C06 | C05 | doub | 1.40Å | 1.36Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.38Å | |
| C10 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C05 | C03 | sing | 1.47Å | 1.48Å | |
| C03 | O04 | doub | 1.21Å | 1.20Å | |
| C03 | O02 | sing | 1.35Å | 1.36Å | |
| O02 | C01 | sing | 1.45Å | 1.32Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N18 | H182 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C15 | C14 | 122.1° | 120.0° |
| N18 | C15 | C16 | 121.8° | 120.0° |
| C15 | N18 | H182 | 109.5° | 120.0° |
| C15 | N18 | H181 | 109.5° | 119.9° |
| C07 | C08 | C09 | 120.0° | 120.4° |
| C08 | C07 | C06 | 118.7° | 120.3° |
| C08 | C07 | H071 | 120.7° | 119.8° |
| C07 | C08 | H081 | 120.0° | 119.8° |
| C08 | C09 | C10 | 123.0° | 120.1° |
| C09 | C08 | H081 | 120.0° | 119.8° |
| C08 | C09 | H091 | 118.5° | 120.0° |
| C15 | C14 | C13 | 122.4° | 120.0° |
| C14 | C15 | C16 | 116.1° | 120.0° |
| C15 | C14 | H141 | 118.8° | 120.0° |
| C14 | C13 | C12 | 122.4° | 120.0° |
| C14 | C13 | H131 | 118.8° | 119.9° |
| C13 | C14 | H141 | 118.8° | 120.1° |
| C15 | C16 | C17 | 119.5° | 120.0° |
| C15 | C16 | H161 | 120.2° | 120.0° |
| C07 | C06 | C05 | 123.1° | 119.9° |
| C07 | C06 | H061 | 118.4° | 120.1° |
| C06 | C07 | H071 | 120.6° | 119.9° |
| C09 | C10 | O11 | 119.0° | 120.2° |
| C09 | C10 | C05 | 116.4° | 119.7° |
| C10 | C09 | H091 | 118.5° | 119.9° |
| C13 | C12 | C17 | 116.1° | 120.0° |
| C13 | C12 | O11 | 121.7° | 119.9° |
| C12 | C13 | H131 | 118.8° | 120.0° |
| C16 | C17 | C12 | 123.4° | 120.0° |
| C16 | C17 | H171 | 118.3° | 120.0° |
| C17 | C16 | H161 | 120.3° | 120.0° |
| C17 | C12 | O11 | 122.2° | 120.0° |
| C12 | C17 | H171 | 118.3° | 120.0° |
| C12 | O11 | C10 | 128.7° | 118.0° |
| C06 | C05 | C10 | 118.7° | 119.6° |
| C06 | C05 | C03 | 115.3° | 120.2° |
| C05 | C06 | H061 | 118.5° | 120.0° |
| O11 | C10 | C05 | 124.4° | 120.2° |
| C10 | C05 | C03 | 125.9° | 120.2° |
| C05 | C03 | O04 | 124.6° | 120.0° |
| C05 | C03 | O02 | 115.8° | 119.9° |
| O04 | C03 | O02 | 119.6° | 120.1° |
| C03 | O02 | C01 | 121.8° | 117.0° |
| O02 | C01 | H011 | 109.5° | 109.4° |
| O02 | C01 | H012 | 109.4° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H182 | N18 | H181 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C15 | C14 | C16 | 179.3° | 179.7° |
| N18 | C15 | C14 | C13 | 179.0° | 179.7° |
| N18 | C15 | C16 | C17 | 179.9° | 180.0° |
| N18 | C15 | C14 | H141 | 1.0° | 0.3° |
| N18 | C15 | C16 | H161 | 0.1° | 0.3° |
| C15 | N18 | H182 | H181 | 120.0° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.8° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 1.3° | 0.4° |
| C08 | C07 | C06 | C05 | 0.9° | 0.0° |
| C08 | C07 | C06 | H061 | 179.1° | 180.0° |
| C07 | C08 | C09 | H091 | 178.7° | 180.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.2° |
| C08 | C09 | C10 | H091 | 180.0° | 179.6° |
| C08 | C09 | C10 | O11 | 176.8° | 179.8° |
| C08 | C09 | C10 | C05 | 1.7° | 0.4° |
| C09 | C08 | C07 | H071 | 179.9° | 179.7° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.6° | 0.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.3° |
| C15 | C14 | C13 | H131 | 178.4° | 179.8° |
| C14 | C15 | C16 | H161 | 179.2° | 180.0° |
| C14 | C15 | N18 | H182 | 180.0° | 179.8° |
| C14 | C15 | N18 | H181 | 60.0° | 0.3° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 1.6° | 0.2° |
| C14 | C13 | C12 | O11 | 178.3° | 179.8° |
| C15 | C16 | C17 | H161 | 180.0° | 179.7° |
| C15 | C16 | C17 | C12 | 0.7° | 0.6° |
| C15 | C16 | C17 | H171 | 179.3° | 180.0° |
| C16 | C15 | C14 | H141 | 179.7° | 180.0° |
| C16 | C15 | N18 | H182 | 0.7° | 0.1° |
| C16 | C15 | N18 | H181 | 119.3° | 179.9° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.4° | 0.0° |
| C07 | C06 | C05 | C03 | 178.5° | 180.0° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C09 | C10 | O11 | C12 | 63.4° | 0.6° |
| C09 | C10 | C05 | C06 | 0.9° | 0.2° |
| C09 | C10 | O11 | C05 | 174.7° | 179.8° |
| C09 | C10 | C05 | C03 | 177.0° | 179.8° |
| C10 | C09 | C08 | H081 | 178.7° | 179.8° |
| C13 | C12 | C17 | C16 | 0.5° | 0.5° |
| C13 | C12 | C17 | O11 | 176.7° | 180.0° |
| C13 | C12 | O11 | C10 | 48.4° | 90.2° |
| C13 | C12 | C17 | H171 | 179.5° | 180.0° |
| C12 | C13 | C14 | H141 | 178.4° | 180.0° |
| C16 | C17 | C12 | H171 | 180.0° | 179.5° |
| C16 | C17 | C12 | O11 | 177.2° | 179.5° |
| C17 | C12 | O11 | C10 | 135.2° | 89.8° |
| C17 | C12 | C13 | H131 | 178.4° | 180.0° |
| C12 | C17 | C16 | H161 | 179.3° | 179.8° |
| C12 | O11 | C10 | C05 | 121.9° | 179.2° |
| O11 | C12 | C13 | H131 | 1.7° | 0.0° |
| O11 | C12 | C17 | H171 | 2.8° | 0.0° |
| C06 | C05 | C10 | O11 | 175.7° | 180.0° |
| C06 | C05 | C10 | C03 | 177.9° | 179.9° |
| C06 | C05 | C03 | O04 | 122.4° | 180.0° |
| C06 | C05 | C03 | O02 | 58.2° | 0.0° |
| C05 | C06 | C07 | H071 | 179.1° | 180.0° |
| O11 | C10 | C05 | C03 | 2.2° | 0.1° |
| O11 | C10 | C09 | H091 | 3.2° | 0.2° |
| C10 | C05 | C03 | O04 | 59.7° | 0.0° |
| C10 | C05 | C03 | O02 | 119.7° | 179.9° |
| C10 | C05 | C06 | H061 | 179.6° | 180.0° |
| C05 | C10 | C09 | H091 | 178.3° | 180.0° |
| C05 | C03 | O04 | O02 | 179.4° | 179.9° |
| C05 | C03 | O02 | C01 | 121.8° | 180.0° |
| C03 | C05 | C06 | H061 | 1.5° | 0.0° |
| O04 | C03 | O02 | C01 | 58.7° | 0.1° |
| C03 | O02 | C01 | H011 | 180.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 180.0° |
| C03 | O02 | C01 | H013 | 60.0° | 59.9° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 119.9° |
| O02 | C01 | H012 | H013 | 120.0° | 120.1° |
| H131 | C13 | C14 | H141 | 1.6° | 0.2° |
| H171 | C17 | C16 | H161 | 0.7° | 0.3° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 0.9° | 0.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.0° |
| H081 | C08 | C09 | H091 | 1.3° | 0.2° |
