NL4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.40Å | |
| N02 | C03 | sing | 1.46Å | 1.45Å | |
| N02 | C04 | sing | 1.35Å | 1.50Å | |
| C04 | O05 | doub | 1.22Å | 1.20Å | |
| C04 | C06 | sing | 1.48Å | 1.54Å | |
| C06 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
| C06 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| N12 | C13 | sing | 1.35Å | 1.37Å | Aromatic |
| N12 | N33 | sing | 1.40Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.43Å | |
| C14 | C32 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C31 | doub | 1.40Å | 1.45Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.71Å | |
| C16 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.37Å | Aromatic |
| N19 | C20 | doub | 1.33Å | 1.40Å | Aromatic |
| C20 | N21 | sing | 1.35Å | 1.38Å | Aromatic |
| C20 | C31 | sing | 1.41Å | 1.39Å | Aromatic |
| N21 | C22 | doub | 1.31Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.44Å | |
| C22 | N30 | sing | 1.37Å | 1.36Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.34Å | Aromatic |
| N25 | C26 | sing | 1.47Å | 1.43Å | |
| N25 | N27 | sing | 1.40Å | 1.34Å | Aromatic |
| N27 | C28 | doub | 1.31Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| N30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | N33 | doub | 1.31Å | 1.34Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 118.8° | 120.0° |
| C01 | N02 | C04 | 119.1° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| C03 | N02 | C04 | 122.0° | 120.0° |
| N02 | C03 | H031 | 109.5° | 109.5° |
| N02 | C03 | H032 | 109.4° | 109.5° |
| N02 | C03 | H033 | 109.5° | 109.5° |
| N02 | C04 | O05 | 118.4° | 119.9° |
| N02 | C04 | C06 | 123.1° | 120.0° |
| O05 | C04 | C06 | 118.6° | 120.1° |
| C04 | C06 | C07 | 121.2° | 120.1° |
| C04 | C06 | C34 | 119.3° | 120.2° |
| C07 | C06 | C34 | 119.5° | 119.7° |
| C06 | C07 | C08 | 120.1° | 119.9° |
| C06 | C07 | H07 | 120.0° | 120.1° |
| C06 | C34 | C10 | 120.4° | 119.9° |
| C06 | C34 | H34 | 119.8° | 120.1° |
| C07 | C08 | C09 | 120.2° | 120.2° |
| C08 | C07 | H07 | 119.9° | 120.1° |
| C07 | C08 | H08 | 119.9° | 119.9° |
| C08 | C09 | C10 | 120.3° | 120.3° |
| C09 | C08 | H08 | 119.9° | 119.9° |
| C08 | C09 | H09 | 119.9° | 119.8° |
| C09 | C10 | C11 | 118.9° | 119.9° |
| C09 | C10 | C34 | 119.5° | 120.1° |
| C10 | C09 | H09 | 119.8° | 119.9° |
| C11 | C10 | C34 | 121.7° | 120.0° |
| C10 | C11 | N12 | 112.4° | 109.4° |
| C10 | C11 | H111 | 108.7° | 109.5° |
| C10 | C11 | H112 | 108.7° | 109.5° |
| C10 | C34 | H34 | 119.8° | 120.0° |
| C11 | N12 | C13 | 125.9° | 125.9° |
| C11 | N12 | N33 | 125.8° | 125.9° |
| N12 | C11 | H111 | 108.7° | 109.4° |
| N12 | C11 | H112 | 108.7° | 109.5° |
| C13 | N12 | N33 | 108.3° | 108.2° |
| N12 | C13 | C14 | 107.9° | 107.6° |
| N12 | C13 | H13 | 126.0° | 126.2° |
| N12 | N33 | C32 | 109.8° | 108.5° |
| C13 | C14 | C15 | 127.1° | 126.2° |
| C13 | C14 | C32 | 106.5° | 107.5° |
| C14 | C13 | H13 | 126.1° | 126.2° |
| C15 | C14 | C32 | 126.4° | 126.2° |
| C14 | C15 | C16 | 122.2° | 121.0° |
| C14 | C15 | C31 | 119.2° | 121.0° |
| C14 | C32 | N33 | 107.4° | 108.1° |
| C14 | C32 | H32 | 126.3° | 125.9° |
| C16 | C15 | C31 | 118.6° | 118.0° |
| C15 | C16 | CL1 | 120.2° | 120.3° |
| C15 | C16 | C18 | 120.4° | 119.3° |
| C15 | C31 | C20 | 119.4° | 119.3° |
| C15 | C31 | N30 | 133.4° | 134.2° |
| CL1 | C16 | C18 | 119.4° | 120.4° |
| C16 | C18 | N19 | 119.3° | 121.6° |
| C16 | C18 | H18 | 120.4° | 119.3° |
| C18 | N19 | C20 | 122.1° | 121.8° |
| N19 | C18 | H18 | 120.3° | 119.2° |
| N19 | C20 | N21 | 132.4° | 133.0° |
| N19 | C20 | C31 | 120.2° | 120.0° |
| N21 | C20 | C31 | 107.4° | 107.0° |
| C20 | N21 | C22 | 108.3° | 109.8° |
| C20 | C31 | N30 | 107.2° | 106.4° |
| N21 | C22 | C23 | 124.5° | 125.2° |
| N21 | C22 | N30 | 108.7° | 109.7° |
| C23 | C22 | N30 | 126.8° | 125.1° |
| C22 | C23 | C24 | 125.1° | 126.4° |
| C22 | C23 | C28 | 129.1° | 126.4° |
| C22 | N30 | C31 | 108.4° | 107.0° |
| C22 | N30 | H30 | 125.8° | 126.5° |
| C24 | C23 | C28 | 105.8° | 107.3° |
| C23 | C24 | N25 | 108.2° | 107.4° |
| C23 | C24 | H24 | 125.9° | 126.3° |
| C23 | C28 | N27 | 107.9° | 108.1° |
| C23 | C28 | C29 | 127.4° | 125.9° |
| C24 | N25 | C26 | 125.5° | 125.8° |
| C24 | N25 | N27 | 108.9° | 108.4° |
| N25 | C24 | H24 | 125.9° | 126.2° |
| C26 | N25 | N27 | 125.5° | 125.8° |
| N25 | C26 | H261 | 109.5° | 109.5° |
| N25 | C26 | H262 | 109.5° | 109.5° |
| N25 | C26 | H263 | 109.5° | 109.5° |
| N25 | N27 | C28 | 109.2° | 108.9° |
| N27 | C28 | C29 | 124.7° | 126.0° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.4° | 109.5° |
| C31 | N30 | H30 | 125.8° | 126.5° |
| N33 | C32 | H32 | 126.3° | 126.0° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 179.9° | 180.0° |
| C01 | N02 | C04 | O05 | 0.1° | 5.9° |
| C01 | N02 | C04 | C06 | 180.0° | 174.2° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 180.0° | 85.3° |
| C01 | N02 | C03 | H032 | 60.0° | 154.8° |
| C01 | N02 | C03 | H033 | 60.0° | 34.8° |
| C03 | N02 | C04 | O05 | 180.0° | 174.1° |
| C03 | N02 | C04 | C06 | 0.1° | 5.8° |
| C03 | N02 | C01 | H011 | 180.0° | 89.9° |
| C03 | N02 | C01 | H012 | 60.0° | 150.0° |
| C03 | N02 | C01 | H013 | 60.0° | 30.0° |
| N02 | C03 | H031 | H032 | 120.0° | 120.0° |
| N02 | C03 | H031 | H033 | 120.0° | 120.0° |
| N02 | C03 | H032 | H033 | 120.0° | 120.0° |
| N02 | C04 | O05 | C06 | 179.9° | 179.9° |
| N02 | C04 | C06 | C07 | 60.9° | 35.0° |
| N02 | C04 | C06 | C34 | 120.4° | 145.4° |
| C04 | N02 | C01 | H011 | 0.1° | 90.0° |
| C04 | N02 | C01 | H012 | 120.1° | 30.0° |
| C04 | N02 | C01 | H013 | 119.9° | 150.0° |
| C04 | N02 | C03 | H031 | 0.1° | 94.8° |
| C04 | N02 | C03 | H032 | 119.9° | 25.2° |
| C04 | N02 | C03 | H033 | 120.1° | 145.2° |
| O05 | C04 | C06 | C07 | 119.1° | 145.1° |
| O05 | C04 | C06 | C34 | 59.5° | 34.5° |
| C04 | C06 | C07 | C34 | 178.6° | 179.6° |
| C04 | C06 | C07 | C08 | 179.7° | 179.9° |
| C04 | C06 | C34 | C10 | 179.6° | 179.8° |
| C04 | C06 | C07 | H07 | 0.3° | 0.1° |
| C04 | C06 | C34 | H34 | 0.4° | 0.1° |
| C06 | C07 | C08 | H07 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.7° | 0.0° |
| C07 | C06 | C34 | C10 | 0.9° | 0.6° |
| C07 | C06 | C34 | H34 | 179.0° | 179.7° |
| C06 | C07 | C08 | H08 | 179.3° | 180.0° |
| C34 | C06 | C07 | C08 | 1.1° | 0.3° |
| C06 | C34 | C10 | C09 | 0.4° | 0.5° |
| C06 | C34 | C10 | C11 | 179.7° | 179.7° |
| C06 | C34 | C10 | H34 | 180.0° | 179.7° |
| C34 | C06 | C07 | H07 | 178.9° | 179.7° |
| C07 | C08 | C09 | H08 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C07 | C08 | C09 | H09 | 179.9° | 180.0° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 179.9° | 180.0° |
| C08 | C09 | C10 | C34 | 0.0° | 0.2° |
| C09 | C08 | C07 | H07 | 179.3° | 180.0° |
| C09 | C10 | C11 | C34 | 179.9° | 179.8° |
| C09 | C10 | C11 | N12 | 166.8° | 90.1° |
| C09 | C10 | C34 | H34 | 179.6° | 179.8° |
| C10 | C09 | C08 | H08 | 179.9° | 180.0° |
| C09 | C10 | C11 | H111 | 72.8° | 150.0° |
| C09 | C10 | C11 | H112 | 46.3° | 30.0° |
| C10 | C11 | N12 | H111 | 120.4° | 120.0° |
| C10 | C11 | N12 | H112 | 120.5° | 120.0° |
| C10 | C11 | N12 | C13 | 110.0° | 125.0° |
| C10 | C11 | N12 | N33 | 71.1° | 55.3° |
| C11 | C10 | C34 | H34 | 0.3° | 0.1° |
| C11 | C10 | C09 | H09 | 0.1° | 0.0° |
| C10 | C11 | H111 | H112 | 118.7° | 120.0° |
| C34 | C10 | C11 | N12 | 13.4° | 89.8° |
| C34 | C10 | C09 | H09 | 180.0° | 179.8° |
| C34 | C10 | C11 | H111 | 107.1° | 30.2° |
| C34 | C10 | C11 | H112 | 133.8° | 150.2° |
| C11 | N12 | C13 | N33 | 179.1° | 179.8° |
| C11 | N12 | C13 | C14 | 179.4° | 180.0° |
| C11 | N12 | N33 | C32 | 179.7° | 179.8° |
| N12 | C11 | H111 | H112 | 118.6° | 120.0° |
| C11 | N12 | C13 | H13 | 0.6° | 0.0° |
| N12 | C13 | C14 | H13 | 180.0° | 180.0° |
| N12 | C13 | C14 | C15 | 179.3° | 180.0° |
| N12 | C13 | C14 | C32 | 0.0° | 0.0° |
| C13 | N12 | N33 | C32 | 0.7° | 0.4° |
| C13 | N12 | C11 | H111 | 129.6° | 5.0° |
| C13 | N12 | C11 | H112 | 10.5° | 115.0° |
| N33 | N12 | C13 | C14 | 0.4° | 0.2° |
| N12 | N33 | C32 | C14 | 0.7° | 0.4° |
| N33 | N12 | C11 | H111 | 49.3° | 175.3° |
| N33 | N12 | C11 | H112 | 168.4° | 64.7° |
| N33 | N12 | C13 | H13 | 179.6° | 179.8° |
| N12 | N33 | C32 | H32 | 179.3° | 179.9° |
| C13 | C14 | C15 | C32 | 179.1° | 180.0° |
| C13 | C14 | C15 | C16 | 72.3° | 65.0° |
| C13 | C14 | C15 | C31 | 107.7° | 115.3° |
| C13 | C14 | C32 | N33 | 0.4° | 0.3° |
| C13 | C14 | C32 | H32 | 179.6° | 180.0° |
| C14 | C15 | C16 | C31 | 180.0° | 179.7° |
| C14 | C15 | C16 | CL1 | 0.0° | 0.0° |
| C14 | C15 | C16 | C18 | 180.0° | 180.0° |
| C14 | C15 | C31 | C20 | 179.9° | 179.7° |
| C14 | C15 | C31 | N30 | 0.0° | 0.7° |
| C15 | C14 | C32 | N33 | 179.7° | 179.7° |
| C15 | C14 | C13 | H13 | 0.7° | 0.1° |
| C15 | C14 | C32 | H32 | 0.3° | 0.0° |
| C32 | C14 | C15 | C16 | 108.6° | 115.0° |
| C32 | C14 | C15 | C31 | 71.4° | 64.7° |
| C14 | C32 | N33 | H32 | 180.0° | 179.7° |
| C32 | C14 | C13 | H13 | 179.9° | 180.0° |
| C15 | C16 | CL1 | C18 | 180.0° | 179.9° |
| C15 | C16 | C18 | N19 | 0.1° | 0.0° |
| C16 | C15 | C31 | C20 | 0.1° | 0.5° |
| C16 | C15 | C31 | N30 | 180.0° | 179.5° |
| C15 | C16 | C18 | H18 | 179.9° | 180.0° |
| C31 | C15 | C16 | CL1 | 180.0° | 179.7° |
| C31 | C15 | C16 | C18 | 0.0° | 0.2° |
| C15 | C31 | C20 | N19 | 0.1° | 0.6° |
| C15 | C31 | C20 | N21 | 179.9° | 179.7° |
| C15 | C31 | C20 | N30 | 179.9° | 179.3° |
| C15 | C31 | N30 | C22 | 179.9° | 179.6° |
| C15 | C31 | N30 | H30 | 0.1° | 0.8° |
| CL1 | C16 | C18 | N19 | 179.9° | 180.0° |
| CL1 | C16 | C18 | H18 | 0.1° | 0.1° |
| C16 | C18 | N19 | H18 | 180.0° | 180.0° |
| C16 | C18 | N19 | C20 | 0.2° | 0.0° |
| C18 | N19 | C20 | N21 | 179.9° | 180.0° |
| C18 | N19 | C20 | C31 | 0.0° | 0.3° |
| N19 | C20 | N21 | C31 | 180.0° | 179.7° |
| N19 | C20 | N21 | C22 | 180.0° | 180.0° |
| N19 | C20 | C31 | N30 | 179.9° | 179.8° |
| C20 | N19 | C18 | H18 | 179.9° | 180.0° |
| C20 | N21 | C22 | C23 | 180.0° | 180.0° |
| C20 | N21 | C22 | N30 | 0.0° | 0.0° |
| N21 | C20 | C31 | N30 | 0.0° | 0.5° |
| C31 | C20 | N21 | C22 | 0.0° | 0.3° |
| C20 | C31 | N30 | C22 | 0.0° | 0.5° |
| C20 | C31 | N30 | H30 | 180.0° | 179.9° |
| N21 | C22 | C23 | N30 | 180.0° | 179.9° |
| N21 | C22 | C23 | C24 | 8.2° | 180.0° |
| N21 | C22 | C23 | C28 | 171.4° | 0.3° |
| N21 | C22 | N30 | C31 | 0.0° | 0.3° |
| N21 | C22 | N30 | H30 | 180.0° | 180.0° |
| C22 | C23 | C24 | C28 | 179.7° | 179.7° |
| C22 | C23 | C24 | N25 | 179.8° | 180.0° |
| C22 | C23 | C28 | N27 | 179.8° | 179.8° |
| C22 | C23 | C28 | C29 | 0.4° | 0.1° |
| C23 | C22 | N30 | C31 | 180.0° | 179.7° |
| C23 | C22 | N30 | H30 | 0.0° | 0.1° |
| C22 | C23 | C24 | H24 | 0.2° | 0.0° |
| N30 | C22 | C23 | C24 | 171.8° | 0.1° |
| N30 | C22 | C23 | C28 | 8.6° | 179.6° |
| C22 | N30 | C31 | H30 | 180.0° | 179.7° |
| C23 | C24 | N25 | H24 | 180.0° | 180.0° |
| C23 | C24 | N25 | C26 | 180.0° | 180.0° |
| C23 | C24 | N25 | N27 | 0.1° | 0.0° |
| C24 | C23 | C28 | N27 | 0.1° | 0.4° |
| C24 | C23 | C28 | C29 | 180.0° | 179.7° |
| C28 | C23 | C24 | N25 | 0.1° | 0.2° |
| C23 | C28 | N27 | N25 | 0.1° | 0.5° |
| C23 | C28 | N27 | C29 | 179.8° | 179.9° |
| C28 | C23 | C24 | H24 | 179.9° | 179.8° |
| C23 | C28 | C29 | H291 | 179.8° | 90.0° |
| C23 | C28 | C29 | H292 | 60.2° | 150.0° |
| C23 | C28 | C29 | H293 | 59.8° | 30.0° |
| C24 | N25 | C26 | N27 | 179.9° | 180.0° |
| C24 | N25 | N27 | C28 | 0.0° | 0.3° |
| C24 | N25 | C26 | H261 | 179.9° | 90.0° |
| C24 | N25 | C26 | H262 | 60.1° | 150.0° |
| C24 | N25 | C26 | H263 | 59.9° | 30.0° |
| C26 | N25 | N27 | C28 | 179.9° | 179.7° |
| C26 | N25 | C24 | H24 | 0.0° | 0.0° |
| N25 | C26 | H261 | H262 | 120.0° | 120.0° |
| N25 | C26 | H261 | H263 | 120.0° | 120.0° |
| N25 | C26 | H262 | H263 | 120.0° | 120.0° |
| N25 | N27 | C28 | C29 | 179.9° | 179.7° |
| N27 | N25 | C24 | H24 | 179.9° | 180.0° |
| N27 | N25 | C26 | H261 | 0.0° | 90.0° |
| N27 | N25 | C26 | H262 | 120.0° | 30.0° |
| N27 | N25 | C26 | H263 | 120.0° | 150.0° |
| N27 | C28 | C29 | H291 | 0.0° | 89.8° |
| N27 | C28 | C29 | H292 | 120.0° | 30.1° |
| N27 | C28 | C29 | H293 | 120.0° | 150.1° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H293 | 120.0° | 120.0° |
| C28 | C29 | H292 | H293 | 119.9° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H07 | C07 | C08 | H08 | 0.7° | 0.0° |
| H08 | C08 | C09 | H09 | 0.1° | 0.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
