JNO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.44Å | |
| N02 | C03 | sing | 1.35Å | 1.40Å | |
| C03 | O04 | doub | 1.21Å | 1.23Å | |
| C03 | C05 | sing | 1.51Å | 1.52Å | |
| C05 | N06 | sing | 1.47Å | 1.47Å | |
| N06 | C07 | sing | 1.47Å | 1.49Å | |
| N06 | C11 | sing | 1.47Å | 1.50Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | N12 | sing | 1.47Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| N12 | C13 | sing | 1.38Å | 1.39Å | |
| C13 | N14 | doub | 1.32Å | 1.36Å | Aromatic |
| C13 | N18 | sing | 1.33Å | 1.36Å | Aromatic |
| N14 | C15 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C19 | sing | 1.47Å | 1.48Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | N18 | doub | 1.33Å | 1.36Å | Aromatic |
| C19 | N20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.36Å | 1.43Å | Aromatic |
| N20 | C25 | sing | 1.37Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.47Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.44Å | Aromatic |
| C25 | N26 | doub | 1.33Å | 1.30Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.37Å | Aromatic |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 121.5° | 120.0° |
| N02 | C01 | H01 | 109.5° | 109.4° |
| N02 | C01 | H01A | 109.4° | 109.5° |
| N02 | C01 | H01B | 109.5° | 109.5° |
| C01 | N02 | HN02 | 119.2° | 120.0° |
| N02 | C03 | O04 | 124.3° | 120.0° |
| N02 | C03 | C05 | 113.6° | 120.0° |
| C03 | N02 | HN02 | 119.2° | 120.0° |
| O04 | C03 | C05 | 122.1° | 120.0° |
| C03 | C05 | N06 | 110.7° | 109.5° |
| C03 | C05 | H05 | 109.0° | 109.5° |
| C03 | C05 | H05A | 108.8° | 109.5° |
| C05 | N06 | C07 | 111.2° | 111.0° |
| C05 | N06 | C11 | 109.4° | 111.0° |
| N06 | C05 | H05 | 109.1° | 109.4° |
| N06 | C05 | H05A | 108.8° | 109.5° |
| C07 | N06 | C11 | 112.4° | 111.2° |
| N06 | C07 | C08 | 111.3° | 109.5° |
| N06 | C07 | H07 | 108.9° | 109.4° |
| N06 | C07 | H07A | 108.5° | 109.4° |
| N06 | C11 | C10 | 111.0° | 109.6° |
| N06 | C11 | H11 | 109.0° | 109.5° |
| N06 | C11 | H11A | 108.6° | 109.5° |
| C07 | C08 | C09 | 109.2° | 109.3° |
| C08 | C07 | H07 | 108.9° | 109.5° |
| C08 | C07 | H07A | 108.5° | 109.5° |
| C07 | C08 | H08 | 109.5° | 109.5° |
| C07 | C08 | H08A | 109.6° | 109.5° |
| C08 | C09 | C10 | 109.3° | 109.2° |
| C08 | C09 | N12 | 109.5° | 109.5° |
| C09 | C08 | H08 | 109.5° | 109.5° |
| C09 | C08 | H08A | 109.6° | 109.5° |
| C08 | C09 | H09 | 109.9° | 109.5° |
| C10 | C09 | N12 | 110.6° | 109.6° |
| C09 | C10 | C11 | 109.6° | 109.3° |
| C10 | C09 | H09 | 108.9° | 109.5° |
| C09 | C10 | H10 | 109.4° | 109.5° |
| C09 | C10 | H10A | 109.4° | 109.5° |
| C09 | N12 | C13 | 123.8° | 120.0° |
| N12 | C09 | H09 | 108.6° | 109.5° |
| C09 | N12 | HN12 | 105.0° | 119.9° |
| C11 | C10 | H10 | 109.4° | 109.5° |
| C11 | C10 | H10A | 109.4° | 109.5° |
| C10 | C11 | H11 | 109.0° | 109.4° |
| C10 | C11 | H11A | 108.6° | 109.5° |
| N12 | C13 | N14 | 117.3° | 119.1° |
| N12 | C13 | N18 | 120.1° | 119.2° |
| C13 | N12 | HN12 | 104.9° | 120.1° |
| N14 | C13 | N18 | 122.6° | 121.7° |
| C13 | N14 | C15 | 117.9° | 120.5° |
| C13 | N18 | C17 | 118.0° | 121.1° |
| N14 | C15 | C16 | 122.5° | 118.9° |
| N14 | C15 | C19 | 116.3° | 120.5° |
| C16 | C15 | C19 | 121.2° | 120.5° |
| C15 | C16 | C17 | 114.7° | 118.4° |
| C15 | C16 | H16 | 122.6° | 120.8° |
| C15 | C19 | N20 | 127.6° | 126.7° |
| C15 | C19 | C27 | 129.0° | 126.7° |
| C16 | C17 | N18 | 124.2° | 119.3° |
| C17 | C16 | H16 | 122.6° | 120.8° |
| C16 | C17 | H17 | 117.9° | 120.3° |
| N18 | C17 | H17 | 117.9° | 120.4° |
| N20 | C19 | C27 | 103.4° | 106.6° |
| C19 | N20 | C21 | 131.7° | 132.4° |
| C19 | N20 | C25 | 106.4° | 107.0° |
| C19 | C27 | N26 | 113.4° | 108.3° |
| C19 | C27 | H27 | 123.3° | 125.9° |
| C21 | N20 | C25 | 122.0° | 120.6° |
| N20 | C21 | C22 | 119.9° | 120.6° |
| N20 | C21 | H21 | 120.0° | 119.7° |
| N20 | C25 | C24 | 117.7° | 119.6° |
| N20 | C25 | N26 | 112.0° | 108.5° |
| C21 | C22 | C23 | 118.8° | 120.2° |
| C22 | C21 | H21 | 120.0° | 119.7° |
| C21 | C22 | H22 | 120.6° | 119.9° |
| C22 | C23 | C24 | 122.0° | 119.7° |
| C23 | C22 | H22 | 120.6° | 119.9° |
| C22 | C23 | H23 | 119.0° | 120.2° |
| C23 | C24 | C25 | 119.7° | 119.4° |
| C24 | C23 | H23 | 119.0° | 120.2° |
| C23 | C24 | H24 | 120.2° | 120.3° |
| C24 | C25 | N26 | 130.3° | 132.0° |
| C25 | C24 | H24 | 120.2° | 120.3° |
| C25 | N26 | C27 | 104.9° | 109.7° |
| N26 | C27 | H27 | 123.3° | 125.9° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| H05 | C05 | H05A | 110.5° | 109.5° |
| H07 | C07 | H07A | 110.9° | 109.5° |
| H08 | C08 | H08A | 109.3° | 109.5° |
| H10 | C10 | H10A | 109.6° | 109.6° |
| H11 | C11 | H11A | 110.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | HN02 | 180.0° | 179.9° |
| C01 | N02 | C03 | O04 | 37.4° | 0.1° |
| C01 | N02 | C03 | C05 | 142.7° | 180.0° |
| N02 | C01 | H01 | H01A | 120.0° | 120.0° |
| N02 | C01 | H01 | H01B | 120.0° | 120.0° |
| N02 | C01 | H01A | H01B | 120.0° | 120.1° |
| N02 | C03 | O04 | C05 | 179.9° | 180.0° |
| N02 | C03 | C05 | N06 | 10.5° | 180.0° |
| C03 | N02 | C01 | H01 | 99.8° | 60.0° |
| C03 | N02 | C01 | H01A | 20.3° | 59.9° |
| C03 | N02 | C01 | H01B | 140.3° | 180.0° |
| N02 | C03 | C05 | H05 | 130.5° | 60.0° |
| N02 | C03 | C05 | H05A | 108.9° | 60.0° |
| O04 | C03 | C05 | N06 | 169.5° | 0.0° |
| O04 | C03 | N02 | HN02 | 142.6° | 180.0° |
| O04 | C03 | C05 | H05 | 49.5° | 119.9° |
| O04 | C03 | C05 | H05A | 71.0° | 120.0° |
| C03 | C05 | N06 | H05 | 120.0° | 120.0° |
| C03 | C05 | N06 | H05A | 119.5° | 120.0° |
| C03 | C05 | N06 | C07 | 144.3° | 170.0° |
| C03 | C05 | N06 | C11 | 90.9° | 65.8° |
| C05 | C03 | N02 | HN02 | 37.3° | 0.1° |
| C03 | C05 | H05 | H05A | 119.5° | 120.1° |
| C05 | N06 | C07 | C11 | 123.1° | 124.1° |
| C05 | N06 | C07 | C08 | 179.2° | 174.2° |
| C05 | N06 | C11 | C10 | 179.9° | 174.1° |
| N06 | C05 | H05 | H05A | 119.5° | 120.0° |
| C05 | N06 | C07 | H07 | 59.2° | 65.8° |
| C05 | N06 | C07 | H07A | 61.6° | 54.1° |
| C05 | N06 | C11 | H11 | 60.1° | 54.1° |
| C05 | N06 | C11 | H11A | 60.5° | 65.8° |
| N06 | C07 | C08 | H07 | 120.0° | 120.0° |
| N06 | C07 | C08 | H07A | 119.2° | 120.0° |
| N06 | C07 | C08 | C09 | 57.3° | 59.1° |
| C07 | N06 | C11 | C10 | 55.8° | 61.7° |
| C07 | N06 | C05 | H05 | 95.7° | 70.0° |
| C07 | N06 | C05 | H05A | 24.9° | 50.0° |
| N06 | C07 | H07 | H07A | 119.3° | 119.9° |
| N06 | C07 | C08 | H08 | 177.3° | 179.1° |
| N06 | C07 | C08 | H08A | 62.8° | 60.8° |
| C07 | N06 | C11 | H11 | 175.8° | 178.3° |
| C07 | N06 | C11 | H11A | 63.5° | 58.3° |
| C11 | N06 | C07 | C08 | 56.1° | 61.7° |
| N06 | C11 | C10 | C09 | 57.1° | 59.2° |
| N06 | C11 | C10 | H11 | 120.0° | 120.0° |
| N06 | C11 | C10 | H11A | 119.4° | 120.1° |
| C11 | N06 | C05 | H05 | 29.1° | 54.2° |
| C11 | N06 | C05 | H05A | 149.6° | 174.2° |
| C11 | N06 | C07 | H07 | 63.9° | 58.3° |
| C11 | N06 | C07 | H07A | 175.4° | 178.2° |
| N06 | C11 | C10 | H10 | 177.1° | 179.1° |
| N06 | C11 | C10 | H10A | 62.9° | 60.7° |
| N06 | C11 | H11 | H11A | 119.4° | 120.0° |
| C07 | C08 | C09 | H08 | 120.0° | 120.0° |
| C07 | C08 | C09 | H08A | 120.1° | 119.9° |
| C07 | C08 | C09 | C10 | 59.1° | 57.6° |
| C07 | C08 | C09 | N12 | 179.6° | 177.6° |
| C08 | C07 | H07 | H07A | 119.2° | 120.0° |
| C07 | C08 | H08 | H08A | 120.1° | 120.1° |
| C07 | C08 | C09 | H09 | 60.4° | 62.3° |
| C08 | C09 | C10 | N12 | 120.7° | 119.9° |
| C08 | C09 | C10 | H09 | 120.1° | 119.9° |
| C08 | C09 | N12 | H09 | 120.1° | 120.1° |
| C08 | C09 | C10 | C11 | 59.1° | 57.6° |
| C08 | C09 | N12 | C13 | 77.1° | 155.0° |
| C09 | C08 | C07 | H07 | 62.7° | 60.9° |
| C09 | C08 | C07 | H07A | 176.5° | 179.1° |
| C09 | C08 | H08 | H08A | 120.1° | 120.0° |
| C08 | C09 | C10 | H10 | 179.1° | 177.6° |
| C08 | C09 | C10 | H10A | 60.9° | 62.3° |
| C08 | C09 | N12 | HN12 | 42.9° | 25.1° |
| C10 | C09 | N12 | H09 | 119.4° | 120.2° |
| C09 | C10 | C11 | H10 | 120.0° | 119.9° |
| C09 | C10 | C11 | H10A | 120.0° | 119.9° |
| C10 | C09 | N12 | C13 | 162.4° | 85.3° |
| C10 | C09 | C08 | H08 | 179.0° | 177.6° |
| C10 | C09 | C08 | H08A | 61.1° | 62.3° |
| C09 | C10 | H10 | H10A | 119.9° | 120.1° |
| C09 | C10 | C11 | H11 | 177.1° | 179.2° |
| C09 | C10 | C11 | H11A | 62.3° | 60.9° |
| C10 | C09 | N12 | HN12 | 77.6° | 94.6° |
| N12 | C09 | C10 | C11 | 179.8° | 177.6° |
| C09 | N12 | C13 | HN12 | 120.0° | 179.9° |
| C09 | N12 | C13 | N14 | 8.1° | 180.0° |
| C09 | N12 | C13 | N18 | 171.3° | 0.2° |
| N12 | C09 | C08 | H08 | 59.7° | 62.4° |
| N12 | C09 | C08 | H08A | 60.3° | 57.7° |
| N12 | C09 | C10 | H10 | 60.3° | 62.5° |
| N12 | C09 | C10 | H10A | 59.8° | 57.6° |
| C11 | C10 | C09 | H09 | 61.0° | 62.3° |
| C11 | C10 | H10 | H10A | 120.0° | 120.1° |
| C10 | C11 | H11 | H11A | 119.4° | 119.9° |
| N12 | C13 | N14 | N18 | 179.3° | 179.8° |
| N12 | C13 | N14 | C15 | 179.9° | 180.0° |
| N12 | C13 | N18 | C17 | 179.9° | 179.7° |
| C13 | N12 | C09 | H09 | 43.0° | 34.9° |
| C13 | N14 | C15 | C16 | 0.3° | 0.0° |
| C13 | N14 | C15 | C19 | 178.9° | 180.0° |
| N14 | C13 | N18 | C17 | 0.6° | 0.5° |
| N14 | C13 | N12 | HN12 | 128.1° | 0.1° |
| N18 | C13 | N14 | C15 | 0.5° | 0.2° |
| C13 | N18 | C17 | C16 | 0.5° | 0.5° |
| N18 | C13 | N12 | HN12 | 51.2° | 179.7° |
| C13 | N18 | C17 | H17 | 179.6° | 179.8° |
| N14 | C15 | C16 | C19 | 178.6° | 180.0° |
| N14 | C15 | C16 | C17 | 0.1° | 0.0° |
| N14 | C15 | C19 | N20 | 0.9° | 173.2° |
| N14 | C15 | C19 | C27 | 178.8° | 7.1° |
| N14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 0.2° | 0.3° |
| C16 | C15 | C19 | N20 | 177.8° | 6.8° |
| C16 | C15 | C19 | C27 | 2.5° | 172.9° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C19 | C15 | C16 | C17 | 178.7° | 180.0° |
| C15 | C19 | N20 | C27 | 179.8° | 179.7° |
| C15 | C19 | N20 | C21 | 0.1° | 0.1° |
| C15 | C19 | N20 | C25 | 180.0° | 180.0° |
| C15 | C19 | C27 | N26 | 179.9° | 179.9° |
| C19 | C15 | C16 | H16 | 1.2° | 0.0° |
| C15 | C19 | C27 | H27 | 0.1° | 0.1° |
| C16 | C17 | N18 | H17 | 180.0° | 179.7° |
| N18 | C17 | C16 | H16 | 179.8° | 179.8° |
| C19 | N20 | C21 | C25 | 179.9° | 179.9° |
| C19 | N20 | C21 | C22 | 179.6° | 180.0° |
| C19 | N20 | C25 | C24 | 179.6° | 180.0° |
| C19 | N20 | C25 | N26 | 0.3° | 0.0° |
| N20 | C19 | C27 | N26 | 0.1° | 0.4° |
| C19 | N20 | C21 | H21 | 0.4° | 0.0° |
| N20 | C19 | C27 | H27 | 179.9° | 179.7° |
| C27 | C19 | N20 | C21 | 179.9° | 179.8° |
| C27 | C19 | N20 | C25 | 0.2° | 0.2° |
| C19 | C27 | N26 | C25 | 0.0° | 0.4° |
| C19 | C27 | N26 | H27 | 180.0° | 179.9° |
| N20 | C21 | C22 | H21 | 180.0° | 180.0° |
| N20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C21 | N20 | C25 | C24 | 0.3° | 0.0° |
| C21 | N20 | C25 | N26 | 179.8° | 179.9° |
| N20 | C21 | C22 | H22 | 179.8° | 180.0° |
| C25 | N20 | C21 | C22 | 0.3° | 0.1° |
| N20 | C25 | C24 | C23 | 0.2° | 0.0° |
| N20 | C25 | C24 | N26 | 179.8° | 180.0° |
| N20 | C25 | N26 | C27 | 0.2° | 0.3° |
| C25 | N20 | C21 | H21 | 179.7° | 180.0° |
| N20 | C25 | C24 | H24 | 179.8° | 179.9° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C21 | H21 | 179.8° | 180.0° |
| C22 | C23 | C24 | H24 | 179.9° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | N26 | 180.0° | 180.0° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C24 | C25 | N26 | C27 | 179.7° | 179.8° |
| C25 | C24 | C23 | H23 | 179.9° | 180.0° |
| N26 | C25 | C24 | H24 | 0.1° | 0.0° |
| C25 | N26 | C27 | H27 | 180.0° | 179.7° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | N02 | HN02 | 80.2° | 120.1° |
| H01A | C01 | N02 | HN02 | 159.8° | 120.0° |
| H01B | C01 | N02 | HN02 | 39.8° | 0.1° |
| H07 | C07 | C08 | H08 | 57.3° | 59.2° |
| H07 | C07 | C08 | H08A | 177.2° | 179.3° |
| H07A | C07 | C08 | H08 | 63.5° | 60.8° |
| H07A | C07 | C08 | H08A | 56.4° | 59.2° |
| H08 | C08 | C09 | H09 | 59.6° | 57.7° |
| H08A | C08 | C09 | H09 | 179.5° | 177.8° |
| H09 | C09 | C10 | H10 | 59.0° | 57.7° |
| H09 | C09 | C10 | H10A | 179.0° | 177.8° |
| H09 | C09 | N12 | HN12 | 163.0° | 145.2° |
| H10 | C10 | C11 | H11 | 62.9° | 60.9° |
| H10 | C10 | C11 | H11A | 57.7° | 59.0° |
| H10A | C10 | C11 | H11 | 57.2° | 59.3° |
| H10A | C10 | C11 | H11A | 177.8° | 179.2° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
