8NH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.82Å | |
| C2 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C30 | sing | 1.50Å | 1.49Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N12 | sing | 1.43Å | 1.34Å | |
| C5 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C7 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C9 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | N11 | trip | 1.16Å | 1.15Å | |
| N12 | C13 | sing | 1.40Å | 1.35Å | |
| N12 | C27 | sing | 1.40Å | 1.33Å | |
| C13 | O29 | doub | 1.22Å | 1.23Å | |
| C13 | N14 | sing | 1.39Å | 1.33Å | |
| N14 | C22 | sing | 1.45Å | 1.43Å | |
| N14 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C17 | sing | 1.52Å | 1.51Å | |
| C15 | C27 | sing | 1.51Å | 1.54Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C17 | C19 | sing | 1.54Å | 1.54Å | |
| C17 | O25 | sing | 1.42Å | 1.43Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| C27 | O28 | doub | 1.22Å | 1.23Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C30 | H303 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C9 | 122.0° | 120.5° |
| CL1 | C2 | C3 | 119.5° | 119.5° |
| C9 | C2 | C3 | 118.5° | 120.0° |
| C2 | C9 | C7 | 120.6° | 120.0° |
| C2 | C9 | C10 | 123.9° | 122.1° |
| C2 | C3 | C4 | 118.9° | 120.2° |
| C2 | C3 | C30 | 121.2° | 120.8° |
| C4 | C3 | C30 | 119.8° | 119.0° |
| C3 | C4 | C5 | 122.7° | 119.6° |
| C3 | C4 | N12 | 121.4° | 121.3° |
| C3 | C30 | H301 | 109.5° | 110.0° |
| C3 | C30 | H302 | 109.5° | 111.0° |
| C3 | C30 | H303 | 109.4° | 111.0° |
| C5 | C4 | N12 | 115.9° | 119.1° |
| C4 | C5 | C7 | 118.2° | 120.2° |
| C4 | C5 | H5 | 120.9° | 120.5° |
| C4 | N12 | C13 | 125.9° | 124.4° |
| C4 | N12 | C27 | 122.0° | 125.4° |
| C7 | C5 | H5 | 120.9° | 119.3° |
| C5 | C7 | C9 | 120.7° | 120.0° |
| C5 | C7 | H7 | 119.6° | 119.0° |
| C9 | C7 | H7 | 119.6° | 121.0° |
| C7 | C9 | C10 | 115.1° | 118.0° |
| C9 | C10 | N11 | 174.4° | 179.9° |
| C13 | N12 | C27 | 111.4° | 110.1° |
| N12 | C13 | O29 | 125.3° | 129.1° |
| N12 | C13 | N14 | 108.3° | 106.2° |
| N12 | C27 | C15 | 106.4° | 108.5° |
| N12 | C27 | O28 | 127.4° | 129.9° |
| O29 | C13 | N14 | 126.4° | 124.4° |
| C13 | N14 | C22 | 125.8° | 126.8° |
| C13 | N14 | C15 | 112.3° | 113.8° |
| C22 | N14 | C15 | 113.2° | 113.0° |
| N14 | C22 | C19 | 102.1° | 103.4° |
| N14 | C22 | H221 | 112.0° | 109.1° |
| N14 | C22 | H222 | 113.6° | 109.8° |
| N14 | C15 | C17 | 97.9° | 102.9° |
| N14 | C15 | C27 | 99.8° | 100.9° |
| N14 | C15 | H15 | 120.8° | 107.8° |
| C17 | C15 | C27 | 106.2° | 120.4° |
| C17 | C15 | H15 | 115.6° | 112.5° |
| C15 | C17 | C19 | 105.0° | 101.8° |
| C15 | C17 | O25 | 103.9° | 110.7° |
| C15 | C17 | H17 | 116.2° | 113.0° |
| C27 | C15 | H15 | 114.0° | 110.6° |
| C15 | C27 | O28 | 126.1° | 121.5° |
| C19 | C17 | O25 | 110.9° | 109.8° |
| C19 | C17 | H17 | 109.8° | 113.0° |
| C17 | C19 | C22 | 104.6° | 104.1° |
| C17 | C19 | H191 | 111.1° | 109.7° |
| C17 | C19 | H192 | 112.2° | 113.3° |
| O25 | C17 | H17 | 110.8° | 108.4° |
| C17 | O25 | HO25 | 109.5° | 106.7° |
| C22 | C19 | H191 | 111.1° | 109.4° |
| C22 | C19 | H192 | 112.2° | 111.4° |
| C19 | C22 | H221 | 112.0° | 112.2° |
| C19 | C22 | H222 | 113.6° | 112.6° |
| H191 | C19 | H192 | 105.8° | 108.8° |
| H221 | C22 | H222 | 103.9° | 109.5° |
| H301 | C30 | H302 | 109.5° | 108.8° |
| H301 | C30 | H303 | 109.5° | 108.8° |
| H302 | C30 | H303 | 109.5° | 107.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C9 | C3 | 178.5° | 179.9° |
| CL1 | C2 | C3 | C4 | 174.5° | 180.0° |
| CL1 | C2 | C3 | C30 | 6.6° | 0.0° |
| CL1 | C2 | C9 | C7 | 178.8° | 180.0° |
| CL1 | C2 | C9 | C10 | 5.6° | 0.1° |
| C9 | C2 | C3 | C4 | 4.1° | 0.0° |
| C9 | C2 | C3 | C30 | 174.8° | 180.0° |
| C2 | C9 | C7 | C5 | 5.7° | 0.0° |
| C2 | C9 | C7 | C10 | 173.8° | 180.0° |
| C2 | C9 | C7 | H7 | 174.4° | 180.0° |
| C2 | C9 | C10 | N11 | 91.5° | 63.3° |
| C2 | C3 | C4 | C30 | 178.9° | 180.0° |
| C2 | C3 | C4 | C5 | 3.4° | 0.0° |
| C2 | C3 | C4 | N12 | 178.1° | 180.0° |
| C3 | C2 | C9 | C7 | 0.3° | 0.0° |
| C3 | C2 | C9 | C10 | 173.0° | 180.0° |
| C2 | C3 | C30 | H301 | 104.1° | 26.0° |
| C2 | C3 | C30 | H302 | 135.9° | 146.5° |
| C2 | C3 | C30 | H303 | 15.9° | 94.5° |
| C3 | C4 | C5 | N12 | 178.6° | 179.9° |
| C3 | C4 | C5 | C7 | 1.9° | 0.0° |
| C3 | C4 | C5 | H5 | 178.2° | 179.9° |
| C3 | C4 | N12 | C13 | 73.4° | 85.5° |
| C3 | C4 | N12 | C27 | 117.2° | 89.9° |
| C4 | C3 | C30 | H301 | 77.0° | 154.0° |
| C4 | C3 | C30 | H302 | 43.0° | 33.5° |
| C4 | C3 | C30 | H303 | 163.0° | 85.5° |
| C30 | C3 | C4 | C5 | 175.5° | 179.9° |
| C30 | C3 | C4 | N12 | 3.0° | 0.0° |
| C3 | C30 | H301 | H302 | 120.0° | 121.8° |
| C3 | C30 | H301 | H303 | 120.0° | 121.8° |
| C3 | C30 | H302 | H303 | 119.9° | 121.3° |
| C4 | C5 | C7 | H5 | 180.0° | 179.9° |
| C4 | C5 | C7 | C9 | 6.3° | 0.0° |
| C4 | C5 | C7 | H7 | 173.7° | 180.0° |
| C5 | C4 | N12 | C13 | 108.0° | 94.6° |
| C5 | C4 | N12 | C27 | 61.4° | 90.0° |
| N12 | C4 | C5 | C7 | 176.7° | 180.0° |
| N12 | C4 | C5 | H5 | 3.3° | 0.1° |
| C4 | N12 | C13 | C27 | 170.4° | 176.0° |
| C4 | N12 | C13 | O29 | 6.0° | 7.4° |
| C4 | N12 | C13 | N14 | 175.7° | 179.0° |
| C4 | N12 | C27 | C15 | 175.7° | 176.4° |
| C4 | N12 | C27 | O28 | 5.9° | 0.4° |
| C5 | C7 | C9 | H7 | 180.0° | 179.9° |
| C5 | C7 | C9 | C10 | 168.2° | 180.0° |
| H5 | C5 | C7 | C9 | 173.7° | 179.9° |
| H5 | C5 | C7 | H7 | 6.3° | 0.2° |
| C7 | C9 | C10 | N11 | 82.0° | 116.7° |
| H7 | C7 | C9 | C10 | 11.8° | 0.1° |
| N12 | C13 | O29 | N14 | 178.0° | 172.6° |
| N12 | C13 | N14 | C22 | 153.3° | 149.9° |
| N12 | C13 | N14 | C15 | 8.1° | 0.3° |
| C13 | N12 | C27 | C15 | 13.4° | 7.6° |
| C13 | N12 | C27 | O28 | 165.0° | 175.6° |
| C27 | N12 | C13 | O29 | 164.4° | 168.7° |
| C27 | N12 | C13 | N14 | 13.8° | 5.0° |
| N12 | C27 | C15 | N14 | 7.8° | 6.8° |
| N12 | C27 | C15 | C17 | 109.1° | 119.0° |
| N12 | C27 | C15 | O28 | 178.4° | 177.1° |
| N12 | C27 | C15 | H15 | 122.4° | 107.1° |
| O29 | C13 | N14 | C22 | 24.9° | 24.1° |
| O29 | C13 | N14 | C15 | 170.1° | 173.7° |
| C13 | N14 | C22 | C15 | 144.9° | 149.8° |
| C13 | N14 | C15 | C17 | 107.8° | 128.9° |
| C13 | N14 | C15 | C27 | 0.2° | 4.0° |
| C13 | N14 | C15 | H15 | 126.0° | 112.0° |
| C13 | N14 | C22 | C19 | 117.0° | 147.7° |
| C13 | N14 | C22 | H221 | 3.0° | 28.1° |
| C13 | N14 | C22 | H222 | 120.3° | 91.9° |
| C22 | N14 | C15 | C17 | 42.0° | 25.0° |
| C22 | N14 | C15 | C27 | 150.0° | 149.9° |
| C22 | N14 | C15 | H15 | 84.2° | 94.1° |
| N14 | C22 | C19 | C17 | 1.1° | 21.4° |
| N14 | C22 | C19 | H221 | 120.0° | 117.5° |
| N14 | C22 | C19 | H222 | 122.6° | 118.4° |
| N14 | C22 | C19 | H191 | 121.1° | 95.8° |
| N14 | C22 | C19 | H192 | 120.7° | 143.9° |
| N14 | C22 | H221 | H222 | 123.0° | 120.2° |
| N14 | C15 | C17 | C27 | 102.7° | 111.1° |
| N14 | C15 | C17 | H15 | 129.8° | 115.8° |
| N14 | C15 | C27 | H15 | 130.2° | 113.9° |
| N14 | C15 | C17 | C19 | 37.3° | 36.6° |
| N14 | C15 | C17 | O25 | 79.1° | 80.1° |
| N14 | C15 | C17 | H17 | 158.9° | 158.1° |
| C15 | N14 | C22 | C19 | 27.9° | 2.1° |
| C15 | N14 | C22 | H221 | 147.9° | 121.7° |
| C15 | N14 | C22 | H222 | 94.7° | 118.3° |
| N14 | C15 | C27 | O28 | 170.6° | 176.0° |
| C17 | C15 | C27 | H15 | 128.4° | 134.0° |
| C15 | C17 | C19 | O25 | 111.6° | 117.4° |
| C15 | C17 | C19 | H17 | 125.6° | 121.5° |
| C15 | C17 | O25 | H17 | 125.5° | 124.5° |
| C15 | C17 | C19 | C22 | 23.2° | 35.9° |
| C15 | C17 | C19 | H191 | 96.8° | 81.1° |
| C15 | C17 | C19 | H192 | 145.0° | 157.1° |
| C15 | C17 | O25 | HO25 | 65.6° | 79.6° |
| C17 | C15 | C27 | O28 | 69.3° | 63.9° |
| C27 | C15 | C17 | C19 | 140.1° | 147.7° |
| C27 | C15 | C17 | O25 | 23.6° | 31.0° |
| C27 | C15 | C17 | H17 | 98.4° | 90.8° |
| H15 | C15 | C17 | C19 | 92.4° | 79.1° |
| H15 | C15 | C17 | O25 | 151.1° | 164.1° |
| H15 | C15 | C17 | H17 | 29.1° | 42.3° |
| H15 | C15 | C27 | O28 | 59.2° | 70.0° |
| C19 | C17 | O25 | H17 | 122.2° | 123.8° |
| C17 | C19 | C22 | H191 | 120.0° | 117.2° |
| C17 | C19 | C22 | H192 | 121.8° | 122.5° |
| C17 | C19 | H191 | H192 | 122.0° | 124.5° |
| C17 | C19 | C22 | H221 | 121.1° | 96.0° |
| C17 | C19 | C22 | H222 | 121.5° | 139.9° |
| C19 | C17 | O25 | HO25 | 177.9° | 32.1° |
| O25 | C17 | C19 | C22 | 88.4° | 81.5° |
| O25 | C17 | C19 | H191 | 151.6° | 161.5° |
| O25 | C17 | C19 | H192 | 33.4° | 39.7° |
| H17 | C17 | C19 | C22 | 148.8° | 157.4° |
| H17 | C17 | C19 | H191 | 28.8° | 40.4° |
| H17 | C17 | C19 | H192 | 89.4° | 81.4° |
| H17 | C17 | O25 | HO25 | 59.9° | 155.9° |
| C22 | C19 | H191 | H192 | 122.0° | 121.8° |
| C19 | C22 | H221 | H222 | 123.0° | 125.8° |
| H191 | C19 | C22 | H221 | 118.8° | 146.8° |
| H191 | C19 | C22 | H222 | 1.5° | 22.6° |
| H192 | C19 | C22 | H221 | 0.7° | 26.5° |
| H192 | C19 | C22 | H222 | 116.7° | 97.7° |
| H301 | C30 | H302 | H303 | 120.0° | 117.5° |
