NP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O05 | sing | 1.43Å | 1.43Å | |
| O05 | C06 | sing | 1.36Å | 1.38Å | |
| C06 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | N09 | doub | 1.32Å | 1.34Å | Aromatic |
| N09 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.49Å | |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C50 | doub | 1.41Å | 1.40Å | Aromatic |
| C16 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.35Å | Aromatic |
| C19 | N20 | sing | 1.39Å | 1.35Å | |
| C19 | C38 | doub | 1.40Å | 1.43Å | Aromatic |
| N20 | C22 | sing | 1.47Å | 1.46Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C35 | sing | 1.53Å | 1.52Å | |
| C24 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | N30 | sing | 1.47Å | 1.47Å | |
| N30 | C32 | sing | 1.47Å | 1.47Å | |
| C32 | C35 | sing | 1.53Å | 1.51Å | |
| C38 | N39 | sing | 1.38Å | 1.38Å | |
| C38 | C50 | sing | 1.40Å | 1.40Å | Aromatic |
| N39 | C41 | sing | 1.35Å | 1.35Å | |
| C41 | O42 | doub | 1.22Å | 1.23Å | |
| C41 | C43 | sing | 1.41Å | 1.46Å | |
| C43 | C44 | sing | 1.51Å | 1.50Å | |
| C43 | C48 | doub | 1.36Å | 1.36Å | |
| C48 | C50 | sing | 1.46Å | 1.44Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N30 | H30 | sing | 1.01Å | 1.00Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| N39 | H39 | sing | 0.97Å | 1.00Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O05 | C06 | 118.0° | 117.0° |
| O05 | C01 | H011 | 109.5° | 109.5° |
| O05 | C01 | H012 | 109.4° | 109.5° |
| O05 | C01 | H013 | 109.4° | 109.5° |
| O05 | C06 | C07 | 123.9° | 120.5° |
| O05 | C06 | C13 | 117.4° | 120.3° |
| C07 | C06 | C13 | 118.7° | 119.2° |
| C06 | C07 | N09 | 122.5° | 121.0° |
| C06 | C07 | H07 | 118.8° | 119.5° |
| C06 | C13 | C12 | 120.0° | 118.2° |
| C06 | C13 | H13 | 120.0° | 120.9° |
| C07 | N09 | C10 | 117.8° | 121.9° |
| N09 | C07 | H07 | 118.7° | 119.5° |
| N09 | C10 | C12 | 124.3° | 120.7° |
| N09 | C10 | H10 | 117.8° | 119.7° |
| C10 | C12 | C13 | 116.6° | 119.0° |
| C10 | C12 | C15 | 121.2° | 120.5° |
| C12 | C10 | H10 | 117.8° | 119.7° |
| C13 | C12 | C15 | 122.2° | 120.5° |
| C12 | C13 | H13 | 120.0° | 120.9° |
| C12 | C15 | C16 | 120.2° | 120.8° |
| C12 | C15 | C50 | 123.0° | 120.8° |
| C16 | C15 | C50 | 116.7° | 118.4° |
| C15 | C16 | N18 | 125.3° | 121.2° |
| C15 | C16 | H16 | 117.3° | 119.4° |
| C15 | C50 | C38 | 118.3° | 118.7° |
| C15 | C50 | C48 | 124.9° | 122.0° |
| C16 | N18 | C19 | 119.8° | 122.6° |
| N18 | C16 | H16 | 117.4° | 119.4° |
| N18 | C19 | N20 | 117.2° | 119.8° |
| N18 | C19 | C38 | 118.2° | 120.4° |
| N20 | C19 | C38 | 124.6° | 119.8° |
| C19 | N20 | C22 | 124.2° | 120.0° |
| C19 | N20 | H20 | 105.6° | 120.0° |
| C19 | C38 | N39 | 118.8° | 121.7° |
| C19 | C38 | C50 | 121.7° | 118.7° |
| N20 | C22 | C24 | 110.0° | 109.5° |
| N20 | C22 | C35 | 109.9° | 109.5° |
| C22 | N20 | H20 | 105.7° | 120.0° |
| N20 | C22 | H22 | 109.2° | 109.5° |
| C24 | C22 | C35 | 110.7° | 109.2° |
| C22 | C24 | C27 | 111.8° | 109.2° |
| C24 | C22 | H22 | 108.4° | 109.6° |
| C22 | C24 | H241 | 108.9° | 109.6° |
| C22 | C24 | H242 | 108.9° | 109.5° |
| C22 | C35 | C32 | 112.6° | 109.2° |
| C35 | C22 | H22 | 108.5° | 109.6° |
| C22 | C35 | H351 | 108.7° | 109.5° |
| C22 | C35 | H352 | 108.7° | 109.5° |
| C24 | C27 | N30 | 109.9° | 109.5° |
| C27 | C24 | H241 | 108.9° | 109.5° |
| C27 | C24 | H242 | 108.9° | 109.5° |
| C24 | C27 | H271 | 109.4° | 109.5° |
| C24 | C27 | H272 | 109.4° | 109.5° |
| C27 | N30 | C32 | 110.9° | 111.2° |
| N30 | C27 | H271 | 109.3° | 109.5° |
| N30 | C27 | H272 | 109.4° | 109.5° |
| C27 | N30 | H30 | 109.1° | 111.0° |
| N30 | C32 | C35 | 110.0° | 109.5° |
| C32 | N30 | H30 | 109.1° | 111.0° |
| N30 | C32 | H321 | 109.3° | 109.5° |
| N30 | C32 | H322 | 109.3° | 109.5° |
| C32 | C35 | H351 | 108.7° | 109.5° |
| C32 | C35 | H352 | 108.7° | 109.5° |
| C35 | C32 | H321 | 109.4° | 109.4° |
| C35 | C32 | H322 | 109.4° | 109.5° |
| N39 | C38 | C50 | 119.5° | 119.6° |
| C38 | N39 | C41 | 125.2° | 120.9° |
| C38 | N39 | H39 | 117.4° | 119.5° |
| C38 | C50 | C48 | 116.9° | 119.3° |
| N39 | C41 | O42 | 118.9° | 119.2° |
| N39 | C41 | C43 | 116.4° | 121.6° |
| C41 | N39 | H39 | 117.4° | 119.6° |
| O42 | C41 | C43 | 124.6° | 119.2° |
| C41 | C43 | C44 | 118.9° | 119.9° |
| C41 | C43 | C48 | 119.6° | 120.2° |
| C44 | C43 | C48 | 121.5° | 119.9° |
| C43 | C44 | H441 | 109.5° | 109.5° |
| C43 | C44 | H442 | 109.5° | 109.5° |
| C43 | C44 | H443 | 109.4° | 109.5° |
| C43 | C48 | C50 | 122.4° | 118.4° |
| C43 | C48 | H48 | 118.8° | 120.8° |
| C50 | C48 | H48 | 118.8° | 120.8° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.6° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.5° |
| H442 | C44 | H443 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O05 | C06 | C07 | 4.6° | 0.0° |
| C01 | O05 | C06 | C13 | 175.3° | 179.7° |
| O05 | C01 | H011 | H012 | 120.0° | 120.0° |
| O05 | C01 | H011 | H013 | 120.0° | 120.0° |
| O05 | C01 | H012 | H013 | 120.0° | 120.1° |
| O05 | C06 | C07 | C13 | 179.9° | 179.7° |
| O05 | C06 | C07 | N09 | 180.0° | 180.0° |
| O05 | C06 | C13 | C12 | 179.1° | 179.7° |
| C06 | O05 | C01 | H011 | 180.0° | 180.0° |
| C06 | O05 | C01 | H012 | 60.0° | 60.0° |
| C06 | O05 | C01 | H013 | 60.0° | 60.0° |
| O05 | C06 | C07 | H07 | 0.0° | 0.0° |
| O05 | C06 | C13 | H13 | 1.0° | 0.0° |
| C06 | C07 | N09 | H07 | 180.0° | 179.9° |
| C06 | C07 | N09 | C10 | 0.2° | 0.0° |
| C07 | C06 | C13 | C12 | 0.9° | 0.6° |
| C07 | C06 | C13 | H13 | 179.1° | 179.8° |
| C13 | C06 | C07 | N09 | 0.1° | 0.3° |
| C06 | C13 | C12 | C10 | 1.9° | 0.6° |
| C06 | C13 | C12 | H13 | 180.0° | 179.7° |
| C06 | C13 | C12 | C15 | 178.8° | 179.7° |
| C13 | C06 | C07 | H07 | 179.9° | 179.7° |
| C07 | N09 | C10 | C12 | 1.4° | 0.0° |
| C07 | N09 | C10 | H10 | 178.6° | 179.9° |
| N09 | C10 | C12 | H10 | 180.0° | 179.9° |
| N09 | C10 | C12 | C13 | 2.3° | 0.4° |
| N09 | C10 | C12 | C15 | 179.2° | 180.0° |
| C10 | N09 | C07 | H07 | 179.8° | 180.0° |
| C10 | C12 | C13 | C15 | 176.8° | 179.7° |
| C10 | C12 | C15 | C16 | 124.1° | 130.0° |
| C10 | C12 | C15 | C50 | 52.7° | 50.3° |
| C10 | C12 | C13 | H13 | 178.0° | 179.7° |
| C13 | C12 | C15 | C16 | 52.6° | 49.7° |
| C13 | C12 | C15 | C50 | 130.6° | 130.0° |
| C13 | C12 | C10 | H10 | 177.7° | 179.7° |
| C12 | C15 | C16 | C50 | 177.0° | 179.7° |
| C12 | C15 | C16 | N18 | 178.2° | 180.0° |
| C12 | C15 | C50 | C38 | 178.1° | 179.7° |
| C12 | C15 | C50 | C48 | 3.1° | 0.5° |
| C15 | C12 | C13 | H13 | 1.2° | 0.0° |
| C15 | C12 | C10 | H10 | 0.8° | 0.1° |
| C12 | C15 | C16 | H16 | 1.8° | 0.0° |
| C15 | C16 | N18 | H16 | 180.0° | 180.0° |
| C15 | C16 | N18 | C19 | 0.8° | 0.0° |
| C16 | C15 | C50 | C38 | 1.2° | 0.5° |
| C16 | C15 | C50 | C48 | 180.0° | 179.8° |
| C50 | C15 | C16 | N18 | 1.2° | 0.3° |
| C15 | C50 | C38 | C19 | 0.9° | 0.5° |
| C15 | C50 | C38 | N39 | 179.4° | 179.7° |
| C15 | C50 | C38 | C48 | 178.9° | 179.2° |
| C15 | C50 | C48 | C43 | 179.4° | 179.7° |
| C50 | C15 | C16 | H16 | 178.8° | 179.7° |
| C15 | C50 | C48 | H48 | 0.6° | 0.6° |
| C16 | N18 | C19 | N20 | 179.7° | 180.0° |
| C16 | N18 | C19 | C38 | 0.4° | 0.0° |
| N18 | C19 | N20 | C38 | 179.3° | 180.0° |
| N18 | C19 | N20 | C22 | 7.2° | 0.0° |
| N18 | C19 | C38 | N39 | 179.8° | 180.0° |
| N18 | C19 | C38 | C50 | 0.5° | 0.3° |
| C19 | N18 | C16 | H16 | 179.3° | 180.0° |
| N18 | C19 | N20 | H20 | 114.8° | 180.0° |
| C19 | N20 | C22 | H20 | 122.0° | 179.9° |
| C19 | N20 | C22 | C24 | 103.3° | 155.0° |
| C19 | N20 | C22 | C35 | 134.5° | 85.3° |
| N20 | C19 | C38 | N39 | 0.5° | 0.0° |
| N20 | C19 | C38 | C50 | 179.8° | 179.7° |
| C19 | N20 | C22 | H22 | 15.6° | 34.9° |
| C38 | C19 | N20 | C22 | 173.5° | 180.0° |
| C19 | C38 | N39 | C50 | 179.7° | 179.7° |
| C19 | C38 | N39 | C41 | 179.8° | 180.0° |
| C19 | C38 | C50 | C48 | 179.8° | 179.8° |
| C38 | C19 | N20 | H20 | 64.5° | 0.0° |
| C19 | C38 | N39 | H39 | 0.2° | 0.0° |
| N20 | C22 | C24 | C35 | 121.7° | 119.9° |
| N20 | C22 | C24 | H22 | 119.4° | 120.1° |
| N20 | C22 | C35 | H22 | 119.4° | 120.2° |
| N20 | C22 | C24 | C27 | 172.1° | 177.6° |
| N20 | C22 | C35 | C32 | 171.4° | 177.5° |
| N20 | C22 | C24 | H241 | 67.5° | 62.5° |
| N20 | C22 | C24 | H242 | 51.8° | 57.7° |
| N20 | C22 | C35 | H351 | 50.9° | 57.6° |
| N20 | C22 | C35 | H352 | 68.1° | 62.6° |
| C24 | C22 | C35 | H22 | 118.9° | 120.0° |
| C22 | C24 | C27 | H241 | 120.4° | 120.0° |
| C22 | C24 | C27 | H242 | 120.4° | 119.9° |
| C22 | C24 | C27 | N30 | 56.7° | 59.2° |
| C24 | C22 | C35 | C32 | 49.7° | 57.7° |
| C24 | C22 | N20 | H20 | 18.6° | 25.0° |
| C22 | C24 | H241 | H242 | 118.9° | 120.2° |
| C24 | C22 | C35 | H351 | 70.8° | 62.2° |
| C24 | C22 | C35 | H352 | 170.1° | 177.6° |
| C22 | C24 | C27 | H271 | 63.3° | 60.8° |
| C22 | C24 | C27 | H272 | 176.8° | 179.2° |
| C35 | C22 | C24 | C27 | 50.4° | 57.7° |
| C22 | C35 | C32 | N30 | 54.8° | 59.2° |
| C22 | C35 | C32 | H351 | 120.5° | 120.0° |
| C22 | C35 | C32 | H352 | 120.5° | 119.9° |
| C35 | C22 | N20 | H20 | 103.5° | 94.6° |
| C35 | C22 | C24 | H241 | 170.8° | 177.6° |
| C35 | C22 | C24 | H242 | 69.9° | 62.2° |
| C22 | C35 | H351 | H352 | 118.6° | 120.1° |
| C22 | C35 | C32 | H321 | 65.3° | 60.8° |
| C22 | C35 | C32 | H322 | 174.9° | 179.2° |
| C24 | C27 | N30 | H271 | 120.1° | 120.0° |
| C24 | C27 | N30 | H272 | 120.1° | 120.0° |
| C24 | C27 | N30 | C32 | 62.1° | 61.7° |
| C27 | C24 | C22 | H22 | 68.5° | 62.4° |
| C27 | C24 | H241 | H242 | 118.9° | 120.1° |
| C24 | C27 | H271 | H272 | 119.8° | 120.0° |
| C24 | C27 | N30 | H30 | 177.7° | 174.2° |
| C27 | N30 | C32 | H30 | 120.2° | 124.1° |
| C27 | N30 | C32 | C35 | 61.0° | 61.7° |
| N30 | C27 | C24 | H241 | 177.1° | 179.2° |
| N30 | C27 | C24 | H242 | 63.6° | 60.7° |
| N30 | C27 | H271 | H272 | 119.8° | 120.0° |
| C27 | N30 | C32 | H321 | 59.1° | 58.2° |
| C27 | N30 | C32 | H322 | 179.0° | 178.2° |
| N30 | C32 | C35 | H321 | 120.1° | 120.0° |
| N30 | C32 | C35 | H322 | 120.1° | 120.1° |
| N30 | C32 | C35 | H351 | 65.7° | 60.8° |
| N30 | C32 | C35 | H352 | 175.3° | 179.1° |
| C32 | N30 | C27 | H271 | 57.9° | 58.3° |
| C32 | N30 | C27 | H272 | 177.8° | 178.2° |
| N30 | C32 | H321 | H322 | 119.7° | 120.0° |
| C32 | C35 | C22 | H22 | 69.2° | 62.3° |
| C32 | C35 | H351 | H352 | 118.6° | 120.1° |
| C35 | C32 | N30 | H30 | 178.9° | 174.2° |
| C35 | C32 | H321 | H322 | 119.8° | 120.0° |
| C38 | N39 | C41 | H39 | 180.0° | 180.0° |
| C38 | N39 | C41 | O42 | 179.9° | 180.0° |
| C38 | N39 | C41 | C43 | 0.3° | 0.0° |
| N39 | C38 | C50 | C48 | 0.5° | 0.5° |
| C50 | C38 | N39 | C41 | 0.1° | 0.3° |
| C38 | C50 | C48 | C43 | 0.6° | 0.5° |
| C50 | C38 | N39 | H39 | 179.9° | 179.7° |
| C38 | C50 | C48 | H48 | 179.4° | 179.8° |
| N39 | C41 | O42 | C43 | 179.8° | 180.0° |
| N39 | C41 | C43 | C44 | 179.8° | 180.0° |
| N39 | C41 | C43 | C48 | 0.2° | 0.0° |
| O42 | C41 | C43 | C44 | 0.0° | 0.0° |
| O42 | C41 | C43 | C48 | 180.0° | 180.0° |
| O42 | C41 | N39 | H39 | 0.1° | 0.0° |
| C41 | C43 | C44 | C48 | 180.0° | 180.0° |
| C41 | C43 | C48 | C50 | 0.3° | 0.2° |
| C43 | C41 | N39 | H39 | 179.8° | 180.0° |
| C41 | C43 | C44 | H441 | 180.0° | 0.0° |
| C41 | C43 | C44 | H442 | 60.0° | 120.0° |
| C41 | C43 | C44 | H443 | 60.0° | 120.1° |
| C41 | C43 | C48 | H48 | 179.7° | 180.0° |
| C44 | C43 | C48 | C50 | 179.8° | 179.7° |
| C43 | C44 | H441 | H442 | 120.0° | 120.0° |
| C43 | C44 | H441 | H443 | 120.0° | 120.0° |
| C43 | C44 | H442 | H443 | 120.0° | 119.9° |
| C44 | C43 | C48 | H48 | 0.2° | 0.0° |
| C43 | C48 | C50 | H48 | 180.0° | 179.7° |
| C48 | C43 | C44 | H441 | 0.0° | 180.0° |
| C48 | C43 | C44 | H442 | 120.0° | 59.9° |
| C48 | C43 | C44 | H443 | 120.0° | 60.0° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H20 | N20 | C22 | H22 | 137.5° | 145.1° |
| H22 | C22 | C24 | H241 | 51.9° | 57.6° |
| H22 | C22 | C24 | H242 | 171.2° | 177.7° |
| H22 | C22 | C35 | H351 | 170.3° | 177.8° |
| H22 | C22 | C35 | H352 | 51.3° | 57.6° |
| H241 | C24 | C27 | H271 | 57.1° | 59.2° |
| H241 | C24 | C27 | H272 | 62.8° | 60.8° |
| H242 | C24 | C27 | H271 | 176.3° | 179.2° |
| H242 | C24 | C27 | H272 | 56.5° | 59.3° |
| H351 | C35 | C32 | H321 | 174.3° | 179.2° |
| H351 | C35 | C32 | H322 | 54.4° | 59.3° |
| H352 | C35 | C32 | H321 | 55.2° | 59.1° |
| H352 | C35 | C32 | H322 | 64.6° | 60.9° |
| H271 | C27 | N30 | H30 | 62.3° | 65.8° |
| H272 | C27 | N30 | H30 | 57.6° | 54.1° |
| H30 | N30 | C32 | H321 | 61.1° | 65.8° |
| H30 | N30 | C32 | H322 | 58.8° | 54.1° |
| H441 | C44 | H442 | H443 | 120.0° | 120.0° |
