JNF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.47Å | |
| N02 | C03 | sing | 1.38Å | 1.47Å | |
| N02 | C18 | sing | 1.47Å | 1.50Å | |
| C03 | N04 | doub | 1.32Å | 1.41Å | Aromatic |
| C03 | N17 | sing | 1.33Å | 1.38Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.48Å | Aromatic |
| C05 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| N07 | C08 | sing | 1.37Å | 1.42Å | Aromatic |
| N07 | C12 | sing | 1.36Å | 1.42Å | Aromatic |
| C08 | C09 | sing | 1.41Å | 1.44Å | Aromatic |
| C08 | N13 | doub | 1.33Å | 1.30Å | Aromatic |
| C09 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.47Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.36Å | Aromatic |
| N13 | C14 | sing | 1.33Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | N17 | doub | 1.33Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C23 | sing | 1.53Å | 1.56Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 112.1° | 120.0° |
| C01 | N02 | C18 | 113.2° | 120.0° |
| N02 | C01 | H01 | 109.5° | 109.5° |
| N02 | C01 | H01A | 109.5° | 109.5° |
| N02 | C01 | H01B | 109.5° | 109.5° |
| C03 | N02 | C18 | 117.1° | 120.0° |
| N02 | C03 | N04 | 121.3° | 119.1° |
| N02 | C03 | N17 | 118.2° | 119.1° |
| N02 | C18 | C19 | 116.6° | 109.5° |
| N02 | C18 | C23 | 109.9° | 109.4° |
| N02 | C18 | H18 | 104.0° | 109.5° |
| N04 | C03 | N17 | 120.5° | 121.7° |
| C03 | N04 | C05 | 118.3° | 120.5° |
| C03 | N17 | C16 | 118.2° | 121.1° |
| N04 | C05 | C06 | 117.0° | 120.6° |
| N04 | C05 | C15 | 123.3° | 118.9° |
| C06 | C05 | C15 | 119.7° | 120.5° |
| C05 | C06 | N07 | 127.1° | 126.7° |
| C05 | C06 | C14 | 129.5° | 126.7° |
| C05 | C15 | C16 | 115.1° | 118.4° |
| C05 | C15 | H15 | 122.4° | 120.8° |
| N07 | C06 | C14 | 103.4° | 106.6° |
| C06 | N07 | C08 | 106.7° | 107.0° |
| C06 | N07 | C12 | 130.7° | 132.5° |
| C06 | C14 | N13 | 113.0° | 108.2° |
| C06 | C14 | H14 | 123.5° | 125.9° |
| C08 | N07 | C12 | 122.6° | 120.6° |
| N07 | C08 | C09 | 117.2° | 119.6° |
| N07 | C08 | N13 | 112.2° | 108.5° |
| N07 | C12 | C11 | 120.0° | 120.6° |
| N07 | C12 | H12 | 120.0° | 119.7° |
| C09 | C08 | N13 | 130.7° | 132.0° |
| C08 | C09 | C10 | 119.7° | 119.4° |
| C08 | C09 | H09 | 120.2° | 120.3° |
| C08 | N13 | C14 | 104.7° | 109.7° |
| C09 | C10 | C11 | 121.9° | 119.6° |
| C10 | C09 | H09 | 120.2° | 120.3° |
| C09 | C10 | H10 | 119.1° | 120.2° |
| C10 | C11 | C12 | 118.7° | 120.2° |
| C11 | C10 | H10 | 119.0° | 120.2° |
| C10 | C11 | H11 | 120.7° | 119.9° |
| C12 | C11 | H11 | 120.6° | 119.9° |
| C11 | C12 | H12 | 120.0° | 119.7° |
| N13 | C14 | H14 | 123.5° | 125.9° |
| C15 | C16 | N17 | 124.6° | 119.3° |
| C16 | C15 | H15 | 122.5° | 120.8° |
| C15 | C16 | H16 | 117.7° | 120.3° |
| N17 | C16 | H16 | 117.7° | 120.4° |
| C19 | C18 | C23 | 109.2° | 109.5° |
| C18 | C19 | C20 | 111.6° | 109.4° |
| C19 | C18 | H18 | 104.8° | 109.5° |
| C18 | C19 | H19 | 108.7° | 109.5° |
| C18 | C19 | H19A | 108.3° | 109.5° |
| C18 | C23 | C22 | 115.1° | 109.5° |
| C23 | C18 | H18 | 112.2° | 109.5° |
| C18 | C23 | H23 | 107.6° | 109.4° |
| C18 | C23 | H23A | 106.4° | 109.5° |
| C19 | C20 | C21 | 112.0° | 109.5° |
| C20 | C19 | H19 | 108.8° | 109.5° |
| C20 | C19 | H19A | 108.3° | 109.5° |
| C19 | C20 | H20 | 108.6° | 109.5° |
| C19 | C20 | H20A | 108.0° | 109.5° |
| C20 | C21 | C22 | 112.1° | 109.4° |
| C21 | C20 | H20 | 108.6° | 109.4° |
| C21 | C20 | H20A | 108.1° | 109.4° |
| C20 | C21 | H21 | 108.6° | 109.5° |
| C20 | C21 | H21A | 108.0° | 109.5° |
| C21 | C22 | C23 | 112.8° | 109.5° |
| C22 | C21 | H21 | 108.6° | 109.4° |
| C22 | C21 | H21A | 108.0° | 109.5° |
| C21 | C22 | H22 | 108.4° | 109.5° |
| C21 | C22 | H22A | 107.6° | 109.5° |
| C23 | C22 | H22 | 108.4° | 109.5° |
| C23 | C22 | H22A | 107.6° | 109.5° |
| C22 | C23 | H23 | 107.7° | 109.5° |
| C22 | C23 | H23A | 106.4° | 109.5° |
| H01 | C01 | H01A | 109.4° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.4° |
| H01A | C01 | H01B | 109.5° | 109.4° |
| H19 | C19 | H19A | 111.2° | 109.5° |
| H20 | C20 | H20A | 111.5° | 109.5° |
| H21 | C21 | H21A | 111.5° | 109.5° |
| H22 | C22 | H22A | 112.1° | 109.4° |
| H23 | C23 | H23A | 113.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C18 | 133.3° | 179.9° |
| C01 | N02 | C03 | N04 | 176.0° | 0.1° |
| C01 | N02 | C03 | N17 | 5.8° | 179.8° |
| C01 | N02 | C18 | C19 | 82.6° | 60.0° |
| C01 | N02 | C18 | C23 | 152.4° | 60.0° |
| N02 | C01 | H01 | H01A | 120.0° | 120.1° |
| N02 | C01 | H01 | H01B | 120.0° | 120.0° |
| N02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | N02 | C18 | H18 | 32.1° | 180.0° |
| N02 | C03 | N04 | N17 | 178.2° | 179.7° |
| N02 | C03 | N04 | C05 | 178.4° | 180.0° |
| N02 | C03 | N17 | C16 | 178.1° | 179.8° |
| C03 | N02 | C18 | C19 | 50.1° | 120.0° |
| C03 | N02 | C18 | C23 | 74.8° | 120.1° |
| C03 | N02 | C01 | H01 | 70.6° | 90.0° |
| C03 | N02 | C01 | H01A | 169.4° | 150.0° |
| C03 | N02 | C01 | H01B | 49.4° | 30.0° |
| C03 | N02 | C18 | H18 | 164.9° | 0.1° |
| C18 | N02 | C03 | N04 | 42.8° | 180.0° |
| C18 | N02 | C03 | N17 | 139.0° | 0.3° |
| N02 | C18 | C19 | C23 | 125.3° | 120.0° |
| N02 | C18 | C19 | H18 | 114.4° | 120.0° |
| N02 | C18 | C23 | H18 | 115.2° | 120.0° |
| N02 | C18 | C19 | C20 | 179.6° | 180.0° |
| N02 | C18 | C23 | C22 | 179.7° | 180.0° |
| C18 | N02 | C01 | H01 | 154.3° | 90.0° |
| C18 | N02 | C01 | H01A | 34.3° | 30.1° |
| C18 | N02 | C01 | H01B | 85.7° | 150.1° |
| N02 | C18 | C19 | H19 | 60.4° | 60.0° |
| N02 | C18 | C19 | H19A | 60.5° | 60.0° |
| N02 | C18 | C23 | H23 | 60.3° | 60.0° |
| N02 | C18 | C23 | H23A | 62.2° | 60.0° |
| C03 | N04 | C05 | C06 | 178.7° | 180.0° |
| C03 | N04 | C05 | C15 | 0.3° | 0.0° |
| N04 | C03 | N17 | C16 | 0.1° | 0.5° |
| N17 | C03 | N04 | C05 | 0.2° | 0.3° |
| C03 | N17 | C16 | C15 | 0.5° | 0.5° |
| C03 | N17 | C16 | H16 | 179.5° | 179.8° |
| N04 | C05 | C06 | C15 | 179.0° | 180.0° |
| N04 | C05 | C06 | N07 | 0.4° | 173.2° |
| N04 | C05 | C06 | C14 | 179.8° | 7.1° |
| N04 | C05 | C15 | C16 | 0.0° | 0.0° |
| N04 | C05 | C15 | H15 | 180.0° | 180.0° |
| C05 | C06 | N07 | C14 | 179.5° | 179.8° |
| C05 | C06 | N07 | C08 | 179.6° | 179.9° |
| C05 | C06 | N07 | C12 | 0.5° | 0.0° |
| C05 | C06 | C14 | N13 | 179.8° | 179.9° |
| C06 | C05 | C15 | C16 | 179.0° | 180.0° |
| C05 | C06 | C14 | H14 | 0.2° | 0.0° |
| C06 | C05 | C15 | H15 | 1.0° | 0.0° |
| C15 | C05 | C06 | N07 | 179.4° | 6.9° |
| C15 | C05 | C06 | C14 | 1.1° | 172.8° |
| C05 | C15 | C16 | H15 | 180.0° | 180.0° |
| C05 | C15 | C16 | N17 | 0.4° | 0.2° |
| C05 | C15 | C16 | H16 | 179.6° | 180.0° |
| C06 | N07 | C08 | C12 | 179.8° | 179.9° |
| C06 | N07 | C08 | C09 | 179.8° | 180.0° |
| C06 | N07 | C08 | N13 | 0.1° | 0.0° |
| C06 | N07 | C12 | C11 | 179.7° | 180.0° |
| N07 | C06 | C14 | N13 | 0.2° | 0.4° |
| C06 | N07 | C12 | H12 | 0.3° | 0.1° |
| N07 | C06 | C14 | H14 | 179.8° | 179.7° |
| C14 | C06 | N07 | C08 | 0.1° | 0.2° |
| C14 | C06 | N07 | C12 | 179.9° | 179.7° |
| C06 | C14 | N13 | C08 | 0.3° | 0.4° |
| C06 | C14 | N13 | H14 | 180.0° | 179.9° |
| N07 | C08 | C09 | N13 | 179.6° | 179.9° |
| N07 | C08 | C09 | C10 | 0.2° | 0.1° |
| C08 | N07 | C12 | C11 | 0.1° | 0.1° |
| N07 | C08 | N13 | C14 | 0.2° | 0.3° |
| N07 | C08 | C09 | H09 | 179.8° | 180.0° |
| C08 | N07 | C12 | H12 | 179.9° | 180.0° |
| C12 | N07 | C08 | C09 | 0.1° | 0.1° |
| C12 | N07 | C08 | N13 | 179.8° | 180.0° |
| N07 | C12 | C11 | C10 | 0.2° | 0.1° |
| N07 | C12 | C11 | H12 | 180.0° | 179.9° |
| N07 | C12 | C11 | H11 | 179.8° | 180.0° |
| C08 | C09 | C10 | H09 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.3° | 0.1° |
| C09 | C08 | N13 | C14 | 179.8° | 179.8° |
| C08 | C09 | C10 | H10 | 179.7° | 179.9° |
| N13 | C08 | C09 | C10 | 179.8° | 180.0° |
| N13 | C08 | C09 | H09 | 0.2° | 0.1° |
| C08 | N13 | C14 | H14 | 179.7° | 179.7° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.3° | 0.1° |
| C09 | C10 | C11 | H11 | 179.7° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C10 | C09 | H09 | 179.7° | 180.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C12 | C11 | C10 | H10 | 179.7° | 179.9° |
| C15 | C16 | N17 | H16 | 180.0° | 179.8° |
| N17 | C16 | C15 | H15 | 179.6° | 179.7° |
| C19 | C18 | C23 | H18 | 115.7° | 120.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 119.1° | 120.0° |
| C18 | C19 | C20 | C21 | 58.7° | 60.0° |
| C19 | C18 | C23 | C22 | 50.6° | 60.0° |
| C18 | C19 | H19 | H19A | 119.1° | 120.0° |
| C18 | C19 | C20 | H20 | 178.7° | 179.9° |
| C18 | C19 | C20 | H20A | 60.2° | 60.0° |
| C19 | C18 | C23 | H23 | 170.6° | 180.0° |
| C19 | C18 | C23 | H23A | 66.9° | 60.0° |
| C23 | C18 | C19 | C20 | 55.1° | 60.0° |
| C18 | C23 | C22 | C21 | 48.1° | 60.0° |
| C18 | C23 | C22 | H23 | 120.0° | 119.9° |
| C18 | C23 | C22 | H23A | 117.5° | 120.0° |
| C23 | C18 | C19 | H19 | 64.9° | 60.0° |
| C23 | C18 | C19 | H19A | 174.2° | 180.0° |
| C18 | C23 | C22 | H22 | 168.1° | 180.0° |
| C18 | C23 | C22 | H22A | 70.5° | 60.0° |
| C18 | C23 | H23 | H23A | 117.7° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 118.9° | 120.1° |
| C19 | C20 | C21 | C22 | 54.5° | 60.0° |
| C20 | C19 | C18 | H18 | 65.2° | 60.0° |
| C20 | C19 | H19 | H19A | 119.1° | 120.0° |
| C19 | C20 | H20 | H20A | 118.9° | 120.1° |
| C19 | C20 | C21 | H21 | 65.5° | 59.9° |
| C19 | C20 | C21 | H21A | 173.4° | 180.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 118.9° | 120.0° |
| C20 | C21 | C22 | C23 | 48.6° | 60.0° |
| C21 | C20 | C19 | H19 | 61.3° | 60.0° |
| C21 | C20 | C19 | H19A | 177.8° | 180.0° |
| C21 | C20 | H20 | H20A | 119.0° | 119.9° |
| C20 | C21 | H21 | H21A | 118.9° | 120.0° |
| C20 | C21 | C22 | H22 | 168.6° | 180.0° |
| C20 | C21 | C22 | H22A | 70.0° | 60.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 118.6° | 120.0° |
| C22 | C21 | C20 | H20 | 174.5° | 180.0° |
| C22 | C21 | C20 | H20A | 64.4° | 60.0° |
| C22 | C21 | H21 | H21A | 118.9° | 120.0° |
| C21 | C22 | H22 | H22A | 118.7° | 120.0° |
| C21 | C22 | C23 | H23 | 168.1° | 180.0° |
| C21 | C22 | C23 | H23A | 69.4° | 60.0° |
| C22 | C23 | C18 | H18 | 65.1° | 60.0° |
| C23 | C22 | C21 | H21 | 71.4° | 60.0° |
| C23 | C22 | C21 | H21A | 167.5° | 180.0° |
| C23 | C22 | H22 | H22A | 118.6° | 120.0° |
| C22 | C23 | H23 | H23A | 117.7° | 120.0° |
| H01 | C01 | H01A | H01B | 120.0° | 119.9° |
| H09 | C09 | C10 | H10 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.3° | 0.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| H15 | C15 | C16 | H16 | 0.4° | 0.0° |
| H18 | C18 | C19 | H19 | 174.8° | 180.0° |
| H18 | C18 | C19 | H19A | 53.8° | 60.0° |
| H18 | C18 | C23 | H23 | 54.9° | 59.9° |
| H18 | C18 | C23 | H23A | 177.4° | 180.0° |
| H19 | C19 | C20 | H20 | 58.7° | 60.0° |
| H19 | C19 | C20 | H20A | 179.8° | 179.9° |
| H19A | C19 | C20 | H20 | 62.2° | 60.0° |
| H19A | C19 | C20 | H20A | 58.8° | 60.0° |
| H20 | C20 | C21 | H21 | 54.5° | 60.0° |
| H20 | C20 | C21 | H21A | 66.6° | 60.1° |
| H20A | C20 | C21 | H21 | 175.6° | 180.0° |
| H20A | C20 | C21 | H21A | 54.5° | 59.9° |
| H21 | C21 | C22 | H22 | 48.6° | 60.0° |
| H21 | C21 | C22 | H22A | 170.0° | 180.0° |
| H21A | C21 | C22 | H22 | 72.5° | 60.0° |
| H21A | C21 | C22 | H22A | 48.9° | 60.0° |
| H22 | C22 | C23 | H23 | 71.9° | 60.0° |
| H22 | C22 | C23 | H23A | 50.6° | 60.0° |
| H22A | C22 | C23 | H23 | 49.5° | 59.9° |
| H22A | C22 | C23 | H23A | 172.0° | 179.9° |
