NL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N05 | doub | 1.32Å | 1.31Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.37Å | Aromatic |
| O11 | S09 | doub | 1.42Å | 1.43Å | |
| N05 | C04 | sing | 1.32Å | 1.34Å | Aromatic |
| N08 | C07 | sing | 1.40Å | 1.40Å | |
| N08 | S09 | sing | 1.66Å | 1.60Å | |
| C07 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| S09 | O10 | doub | 1.42Å | 1.42Å | |
| S09 | C12 | sing | 1.76Å | 1.74Å | |
| C04 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.34Å | |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | S16 | sing | 1.76Å | 1.75Å | |
| O18 | S16 | doub | 1.42Å | 1.39Å | |
| S16 | O17 | doub | 1.42Å | 1.40Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| S16 | O1 | sing | 1.52Å | 1.48Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C06 | C07 | 124.5° | 120.8° |
| C06 | N05 | C04 | 118.9° | 121.9° |
| N05 | C06 | H061 | 117.8° | 119.6° |
| C06 | C07 | N08 | 120.0° | 120.5° |
| C06 | C07 | C22 | 115.5° | 119.1° |
| C07 | C06 | H061 | 117.8° | 119.6° |
| O11 | S09 | N08 | 108.0° | 106.4° |
| O11 | S09 | O10 | 114.4° | 123.1° |
| O11 | S09 | C12 | 106.5° | 106.4° |
| N05 | C04 | C03 | 123.2° | 120.8° |
| N05 | C04 | H041 | 118.4° | 119.6° |
| C07 | N08 | S09 | 124.2° | 119.9° |
| N08 | C07 | C22 | 124.4° | 120.4° |
| C07 | N08 | H081 | 105.7° | 120.0° |
| N08 | S09 | O10 | 112.0° | 106.4° |
| N08 | S09 | C12 | 108.6° | 107.2° |
| S09 | N08 | H081 | 105.7° | 120.0° |
| C07 | C22 | C03 | 123.8° | 118.3° |
| C07 | C22 | H221 | 118.1° | 120.9° |
| O10 | S09 | C12 | 107.0° | 106.4° |
| S09 | C12 | C21 | 123.3° | 120.0° |
| S09 | C12 | C13 | 120.6° | 120.0° |
| C04 | C03 | C22 | 114.1° | 119.1° |
| C04 | C03 | O02 | 122.3° | 120.4° |
| C03 | C04 | H041 | 118.4° | 119.6° |
| C22 | C03 | O02 | 123.6° | 120.4° |
| C03 | C22 | H221 | 118.1° | 120.8° |
| C12 | C21 | C20 | 120.5° | 120.0° |
| C21 | C12 | C13 | 116.2° | 120.0° |
| C12 | C21 | H211 | 119.8° | 120.0° |
| C21 | C20 | C15 | 122.9° | 120.0° |
| C21 | C20 | H201 | 118.6° | 120.0° |
| C20 | C21 | H211 | 119.8° | 120.0° |
| C03 | O02 | C01 | 118.9° | 117.0° |
| C12 | C13 | C14 | 123.4° | 120.0° |
| C12 | C13 | H131 | 118.3° | 120.0° |
| C20 | C15 | C14 | 114.7° | 120.0° |
| C20 | C15 | S16 | 125.7° | 120.0° |
| C15 | C20 | H201 | 118.5° | 120.0° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.4° |
| C13 | C14 | C15 | 122.3° | 120.0° |
| C14 | C13 | H131 | 118.3° | 120.0° |
| C13 | C14 | H141 | 118.8° | 120.0° |
| C14 | C15 | S16 | 119.6° | 120.0° |
| C15 | C14 | H141 | 118.8° | 120.0° |
| C15 | S16 | O18 | 112.9° | 106.4° |
| C15 | S16 | O17 | 108.1° | 106.4° |
| C15 | S16 | O1 | 91.5° | 107.2° |
| O18 | S16 | O17 | 115.2° | 123.2° |
| O18 | S16 | O1 | 111.1° | 106.4° |
| O17 | S16 | O1 | 115.7° | 106.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| S16 | O1 | H1 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C06 | C07 | H061 | 180.0° | 179.2° |
| N05 | C06 | C07 | N08 | 179.3° | 180.0° |
| N05 | C06 | C07 | C22 | 0.1° | 0.5° |
| C06 | N05 | C04 | C03 | 1.6° | 0.6° |
| C06 | N05 | C04 | H041 | 178.4° | 179.5° |
| C07 | C06 | N05 | C04 | 0.6° | 0.9° |
| C06 | C07 | N08 | C22 | 179.3° | 179.5° |
| C06 | C07 | N08 | S09 | 160.2° | 45.0° |
| C06 | C07 | C22 | C03 | 0.2° | 0.0° |
| C06 | C07 | C22 | H221 | 179.7° | 179.7° |
| C06 | C07 | N08 | H081 | 77.8° | 134.9° |
| O11 | S09 | N08 | C07 | 160.0° | 178.5° |
| O11 | S09 | N08 | O10 | 126.9° | 132.9° |
| O11 | S09 | N08 | C12 | 115.1° | 113.5° |
| O11 | S09 | O10 | C12 | 117.8° | 122.9° |
| O11 | S09 | C12 | C21 | 48.3° | 23.6° |
| O11 | S09 | C12 | C13 | 132.6° | 156.5° |
| O11 | S09 | N08 | H081 | 78.0° | 1.5° |
| N05 | C04 | C03 | H041 | 180.0° | 179.9° |
| N05 | C04 | C03 | C22 | 1.8° | 0.0° |
| N05 | C04 | C03 | O02 | 180.0° | 180.0° |
| C04 | N05 | C06 | H061 | 179.4° | 180.0° |
| C07 | N08 | S09 | H081 | 122.0° | 180.0° |
| C07 | N08 | S09 | O10 | 33.1° | 48.6° |
| C07 | N08 | S09 | C12 | 84.8° | 65.0° |
| N08 | C07 | C22 | C03 | 179.6° | 179.4° |
| N08 | C07 | C22 | H221 | 0.4° | 0.2° |
| N08 | C07 | C06 | H061 | 0.7° | 0.8° |
| S09 | N08 | C07 | C22 | 19.2° | 134.4° |
| N08 | S09 | O10 | C12 | 118.9° | 114.1° |
| N08 | S09 | C12 | C21 | 67.8° | 89.9° |
| N08 | S09 | C12 | C13 | 111.3° | 90.0° |
| C07 | C22 | C03 | C04 | 1.1° | 0.3° |
| C07 | C22 | C03 | H221 | 180.0° | 179.7° |
| C07 | C22 | C03 | O02 | 179.2° | 179.7° |
| C22 | C07 | C06 | H061 | 179.9° | 179.7° |
| C22 | C07 | N08 | H081 | 102.9° | 45.6° |
| O10 | S09 | C12 | C21 | 171.1° | 156.5° |
| O10 | S09 | C12 | C13 | 9.8° | 23.6° |
| O10 | S09 | N08 | H081 | 155.1° | 131.4° |
| S09 | C12 | C21 | C13 | 179.1° | 179.9° |
| S09 | C12 | C21 | C20 | 179.1° | 179.4° |
| S09 | C12 | C13 | C14 | 180.0° | 180.0° |
| S09 | C12 | C13 | H131 | 0.0° | 0.4° |
| S09 | C12 | C21 | H211 | 1.0° | 0.1° |
| C12 | S09 | N08 | H081 | 37.2° | 115.0° |
| C04 | C03 | C22 | O02 | 178.1° | 180.0° |
| C04 | C03 | O02 | C01 | 5.8° | 0.0° |
| C04 | C03 | C22 | H221 | 178.9° | 180.0° |
| C22 | C03 | O02 | C01 | 172.2° | 180.0° |
| C22 | C03 | C04 | H041 | 178.2° | 180.0° |
| C12 | C21 | C20 | H211 | 180.0° | 179.4° |
| C12 | C21 | C20 | C15 | 0.2° | 0.9° |
| C21 | C12 | C13 | C14 | 0.9° | 0.0° |
| C21 | C12 | C13 | H131 | 179.2° | 179.7° |
| C12 | C21 | C20 | H201 | 179.8° | 179.7° |
| C20 | C21 | C12 | C13 | 0.0° | 0.5° |
| C21 | C20 | C15 | H201 | 180.0° | 179.4° |
| C21 | C20 | C15 | C14 | 0.5° | 0.7° |
| C21 | C20 | C15 | S16 | 178.9° | 179.4° |
| O02 | C03 | C22 | H221 | 0.8° | 0.0° |
| C03 | O02 | C01 | H012 | 180.0° | 59.9° |
| C03 | O02 | C01 | H013 | 60.0° | 180.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| O02 | C03 | C04 | H041 | 0.0° | 0.1° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 1.6° | 0.3° |
| C13 | C12 | C21 | H211 | 179.9° | 180.0° |
| C12 | C13 | C14 | H141 | 178.3° | 179.6° |
| C20 | C15 | C14 | C13 | 1.4° | 0.1° |
| C20 | C15 | C14 | S16 | 179.4° | 180.0° |
| C20 | C15 | S16 | O18 | 31.1° | 156.5° |
| C20 | C15 | S16 | O17 | 159.7° | 23.5° |
| C15 | C20 | C21 | H211 | 179.8° | 179.7° |
| C20 | C15 | C14 | H141 | 178.6° | 180.0° |
| C20 | C15 | S16 | O1 | 82.6° | 90.0° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O02 | C01 | H012 | H011 | 120.0° | 119.9° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | S16 | 178.1° | 180.0° |
| C14 | C15 | S16 | O18 | 149.5° | 23.5° |
| C14 | C15 | S16 | O17 | 20.9° | 156.5° |
| C15 | C14 | C13 | H131 | 178.4° | 180.0° |
| C14 | C15 | C20 | H201 | 179.5° | 180.0° |
| C14 | C15 | S16 | O1 | 96.8° | 90.0° |
| C15 | S16 | O18 | O17 | 124.8° | 123.0° |
| C15 | S16 | O18 | O1 | 101.1° | 114.0° |
| C15 | S16 | O17 | O1 | 100.8° | 114.1° |
| S16 | C15 | C20 | H201 | 1.1° | 0.0° |
| S16 | C15 | C14 | H141 | 2.0° | 0.0° |
| C15 | S16 | O1 | H1 | 115.3° | 180.0° |
| O18 | S16 | O17 | O1 | 131.9° | 122.9° |
| O18 | S16 | O1 | H1 | 0.0° | 66.5° |
| O17 | S16 | O1 | H1 | 133.8° | 66.5° |
| H131 | C13 | C14 | H141 | 1.6° | 0.0° |
| H201 | C20 | C21 | H211 | 0.2° | 0.3° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
