P8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C16 | sing | 1.53Å | 1.52Å | |
| C13 | N12 | sing | 1.47Å | 1.46Å | |
| C29 | N32 | sing | 1.46Å | 1.46Å | |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C16 | N05 | sing | 1.47Å | 1.49Å | |
| N32 | C34 | sing | 1.38Å | 1.34Å | |
| C46 | C45 | sing | 1.51Å | 1.51Å | |
| C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C24 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | N12 | sing | 1.40Å | 1.41Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| N12 | C09 | sing | 1.47Å | 1.47Å | |
| N05 | C01 | sing | 1.47Å | 1.47Å | |
| N05 | C06 | sing | 1.47Å | 1.46Å | |
| C22 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C45 | doub | 1.38Å | 1.34Å | |
| C34 | C35 | sing | 1.41Å | 1.43Å | |
| C45 | C43 | sing | 1.40Å | 1.45Å | |
| C09 | C06 | sing | 1.53Å | 1.51Å | |
| C35 | N37 | doub | 1.30Å | 1.28Å | |
| C43 | O44 | doub | 1.22Å | 1.22Å | |
| C43 | N38 | sing | 1.35Å | 1.37Å | |
| N37 | N38 | sing | 1.40Å | 1.36Å | |
| N38 | C39 | sing | 1.47Å | 1.46Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| N32 | H19 | sing | 0.97Å | 1.00Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C13 | N12 | 110.4° | 109.3° |
| C13 | C16 | N05 | 111.2° | 109.4° |
| C16 | C13 | H1 | 109.3° | 109.5° |
| C16 | C13 | H2 | 109.2° | 109.5° |
| C13 | C16 | H15 | 109.0° | 109.5° |
| C13 | C16 | H16 | 109.1° | 109.5° |
| C13 | N12 | C19 | 117.9° | 111.0° |
| C13 | N12 | C09 | 111.1° | 110.9° |
| N12 | C13 | H1 | 109.2° | 109.5° |
| N12 | C13 | H2 | 109.2° | 109.5° |
| N32 | C29 | C28 | 113.9° | 109.5° |
| C29 | N32 | C34 | 125.3° | 120.0° |
| N32 | C29 | H17 | 108.4° | 109.5° |
| N32 | C29 | H18 | 108.4° | 109.5° |
| C29 | N32 | H19 | 105.4° | 120.0° |
| C29 | C28 | C26 | 120.2° | 120.1° |
| C29 | C28 | C19 | 121.7° | 120.0° |
| C28 | C29 | H17 | 108.4° | 109.5° |
| C28 | C29 | H18 | 108.4° | 109.5° |
| C16 | N05 | C01 | 110.5° | 111.0° |
| C16 | N05 | C06 | 109.8° | 110.9° |
| N05 | C16 | H15 | 109.1° | 109.5° |
| N05 | C16 | H16 | 109.1° | 109.5° |
| N32 | C34 | C45 | 121.1° | 120.3° |
| N32 | C34 | C35 | 121.2° | 120.3° |
| C34 | N32 | H19 | 105.4° | 120.0° |
| C46 | C45 | C34 | 122.3° | 120.5° |
| C46 | C45 | C43 | 117.4° | 120.5° |
| C45 | C46 | H24 | 109.5° | 109.5° |
| C45 | C46 | H25 | 109.5° | 109.4° |
| C45 | C46 | H26 | 109.5° | 109.4° |
| C28 | C26 | C24 | 120.9° | 120.1° |
| C26 | C28 | C19 | 118.0° | 119.9° |
| C28 | C26 | H6 | 119.6° | 119.9° |
| C26 | C24 | C22 | 120.5° | 120.1° |
| C26 | C24 | H5 | 119.8° | 119.9° |
| C24 | C26 | H6 | 119.5° | 120.0° |
| C28 | C19 | N12 | 117.8° | 120.1° |
| C28 | C19 | C20 | 120.0° | 119.8° |
| C24 | C22 | C20 | 120.5° | 120.1° |
| C24 | C22 | H4 | 119.8° | 120.0° |
| C22 | C24 | H5 | 119.8° | 119.9° |
| N12 | C19 | C20 | 122.2° | 120.1° |
| C19 | N12 | C09 | 117.1° | 111.0° |
| C19 | C20 | C22 | 120.1° | 119.9° |
| C19 | C20 | H3 | 120.0° | 120.1° |
| N12 | C09 | C06 | 110.2° | 109.3° |
| N12 | C09 | H13 | 109.3° | 109.5° |
| N12 | C09 | H14 | 109.3° | 109.5° |
| C01 | N05 | C06 | 110.7° | 111.1° |
| N05 | C01 | H7 | 109.5° | 109.5° |
| N05 | C01 | H8 | 109.4° | 109.5° |
| N05 | C01 | H9 | 109.5° | 109.5° |
| N05 | C06 | C09 | 111.0° | 109.4° |
| N05 | C06 | H11 | 109.1° | 109.4° |
| N05 | C06 | H12 | 109.1° | 109.5° |
| C22 | C20 | H3 | 120.0° | 120.1° |
| C20 | C22 | H4 | 119.7° | 119.9° |
| C45 | C34 | C35 | 117.6° | 119.4° |
| C34 | C45 | C43 | 120.3° | 119.1° |
| C34 | C35 | N37 | 124.8° | 120.4° |
| C34 | C35 | H20 | 117.6° | 119.8° |
| C45 | C43 | O44 | 124.0° | 120.3° |
| C45 | C43 | N38 | 114.9° | 119.6° |
| C09 | C06 | H11 | 109.1° | 109.5° |
| C09 | C06 | H12 | 109.1° | 109.5° |
| C06 | C09 | H13 | 109.3° | 109.4° |
| C06 | C09 | H14 | 109.3° | 109.6° |
| C35 | N37 | N38 | 116.6° | 121.0° |
| N37 | C35 | H20 | 117.6° | 119.9° |
| O44 | C43 | N38 | 121.0° | 120.2° |
| C43 | N38 | N37 | 125.7° | 120.6° |
| C43 | N38 | C39 | 119.5° | 119.7° |
| N37 | N38 | C39 | 114.7° | 119.7° |
| N38 | C39 | H21 | 109.5° | 109.4° |
| N38 | C39 | H22 | 109.5° | 109.5° |
| N38 | C39 | H23 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.4° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H13 | C09 | H14 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.4° | 109.5° |
| H17 | C29 | H18 | 109.4° | 109.4° |
| H21 | C39 | H22 | 109.4° | 109.5° |
| H21 | C39 | H23 | 109.5° | 109.5° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H24 | C46 | H25 | 109.5° | 109.5° |
| H24 | C46 | H26 | 109.5° | 109.5° |
| H25 | C46 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C13 | N12 | H1 | 120.1° | 120.0° |
| C16 | C13 | N12 | H2 | 120.1° | 119.9° |
| C13 | C16 | N05 | H15 | 120.3° | 120.0° |
| C13 | C16 | N05 | H16 | 120.3° | 120.0° |
| C16 | C13 | N12 | C19 | 164.0° | 176.8° |
| C16 | C13 | N12 | C09 | 56.7° | 59.3° |
| C13 | C16 | N05 | C01 | 178.9° | 176.8° |
| C13 | C16 | N05 | C06 | 56.5° | 59.3° |
| C16 | C13 | H1 | H2 | 119.6° | 120.1° |
| C13 | C16 | H15 | H16 | 119.2° | 120.0° |
| N12 | C13 | C16 | N05 | 56.2° | 58.4° |
| C13 | N12 | C19 | C28 | 74.9° | 116.2° |
| C13 | N12 | C19 | C09 | 136.9° | 123.8° |
| C13 | N12 | C19 | C20 | 105.3° | 63.3° |
| C13 | N12 | C09 | C06 | 57.5° | 59.4° |
| N12 | C13 | H1 | H2 | 119.6° | 120.1° |
| C13 | N12 | C09 | H13 | 177.7° | 179.3° |
| C13 | N12 | C09 | H14 | 62.6° | 60.7° |
| N12 | C13 | C16 | H15 | 176.4° | 178.4° |
| N12 | C13 | C16 | H16 | 64.1° | 61.6° |
| N32 | C29 | C28 | H17 | 120.7° | 120.0° |
| N32 | C29 | C28 | H18 | 120.7° | 120.0° |
| C29 | N32 | C34 | H19 | 122.1° | 180.0° |
| N32 | C29 | C28 | C26 | 33.8° | 100.0° |
| N32 | C29 | C28 | C19 | 146.1° | 80.2° |
| C29 | N32 | C34 | C45 | 175.8° | 180.0° |
| C29 | N32 | C34 | C35 | 2.9° | 0.3° |
| N32 | C29 | H17 | H18 | 118.0° | 120.0° |
| C28 | C29 | N32 | C34 | 73.2° | 180.0° |
| C29 | C28 | C26 | C19 | 179.9° | 179.9° |
| C29 | C28 | C26 | C24 | 179.8° | 180.0° |
| C29 | C28 | C19 | N12 | 0.1° | 0.2° |
| C29 | C28 | C19 | C20 | 180.0° | 179.7° |
| C29 | C28 | C26 | H6 | 0.2° | 0.2° |
| C28 | C29 | H17 | H18 | 118.0° | 120.0° |
| C28 | C29 | N32 | H19 | 164.7° | 0.1° |
| C16 | N05 | C01 | C06 | 121.9° | 123.8° |
| C16 | N05 | C06 | C09 | 57.4° | 59.3° |
| N05 | C16 | C13 | H1 | 176.3° | 61.5° |
| N05 | C16 | C13 | H2 | 64.0° | 178.4° |
| C16 | N05 | C01 | H7 | 180.0° | 176.2° |
| C16 | N05 | C01 | H8 | 60.0° | 56.2° |
| C16 | N05 | C01 | H9 | 60.0° | 63.9° |
| C16 | N05 | C06 | H11 | 177.7° | 179.3° |
| C16 | N05 | C06 | H12 | 62.8° | 60.7° |
| N05 | C16 | H15 | H16 | 119.2° | 120.1° |
| N32 | C34 | C45 | C46 | 0.9° | 0.1° |
| N32 | C34 | C45 | C35 | 178.7° | 179.7° |
| N32 | C34 | C45 | C43 | 180.0° | 179.8° |
| N32 | C34 | C35 | N37 | 179.4° | 180.0° |
| C34 | N32 | C29 | H17 | 166.2° | 60.0° |
| C34 | N32 | C29 | H18 | 47.5° | 60.0° |
| N32 | C34 | C35 | H20 | 0.6° | 0.1° |
| C46 | C45 | C34 | C43 | 179.2° | 179.7° |
| C46 | C45 | C34 | C35 | 179.6° | 179.7° |
| C46 | C45 | C43 | O44 | 0.8° | 0.0° |
| C46 | C45 | C43 | N38 | 179.4° | 179.8° |
| C45 | C46 | H24 | H25 | 120.0° | 120.0° |
| C45 | C46 | H24 | H26 | 120.0° | 120.0° |
| C45 | C46 | H25 | H26 | 120.0° | 119.9° |
| C28 | C26 | C24 | H6 | 180.0° | 179.7° |
| C28 | C26 | C24 | C22 | 0.6° | 0.0° |
| C26 | C28 | C19 | N12 | 179.7° | 180.0° |
| C26 | C28 | C19 | C20 | 0.1° | 0.4° |
| C28 | C26 | C24 | H5 | 179.4° | 180.0° |
| C26 | C28 | C29 | H17 | 86.9° | 20.0° |
| C26 | C28 | C29 | H18 | 154.4° | 140.0° |
| C24 | C26 | C28 | C19 | 0.0° | 0.2° |
| C26 | C24 | C22 | H5 | 180.0° | 180.0° |
| C26 | C24 | C22 | C20 | 1.1° | 0.0° |
| C26 | C24 | C22 | H4 | 178.9° | 180.0° |
| C28 | C19 | N12 | C20 | 179.8° | 179.5° |
| C28 | C19 | N12 | C09 | 148.3° | 120.0° |
| C28 | C19 | C20 | C22 | 0.4° | 0.5° |
| C28 | C19 | C20 | H3 | 179.6° | 179.8° |
| C19 | C28 | C26 | H6 | 180.0° | 179.9° |
| C19 | C28 | C29 | H17 | 93.2° | 159.8° |
| C19 | C28 | C29 | H18 | 25.4° | 39.9° |
| C24 | C22 | C20 | C19 | 1.0° | 0.3° |
| C24 | C22 | C20 | H4 | 180.0° | 180.0° |
| C24 | C22 | C20 | H3 | 179.0° | 180.0° |
| C22 | C24 | C26 | H6 | 179.4° | 179.7° |
| N12 | C19 | C20 | C22 | 179.8° | 180.0° |
| C19 | N12 | C09 | C06 | 162.9° | 176.8° |
| C19 | N12 | C13 | H1 | 43.9° | 63.2° |
| C19 | N12 | C13 | H2 | 75.8° | 56.9° |
| N12 | C19 | C20 | H3 | 0.2° | 0.3° |
| C19 | N12 | C09 | H13 | 42.7° | 56.9° |
| C19 | N12 | C09 | H14 | 77.0° | 63.2° |
| C20 | C19 | N12 | C09 | 31.6° | 60.5° |
| C19 | C20 | C22 | H3 | 180.0° | 179.7° |
| C19 | C20 | C22 | H4 | 179.0° | 179.7° |
| N12 | C09 | C06 | N05 | 58.2° | 58.5° |
| N12 | C09 | C06 | H13 | 120.1° | 119.9° |
| N12 | C09 | C06 | H14 | 120.1° | 120.0° |
| C09 | N12 | C13 | H1 | 176.8° | 60.6° |
| C09 | N12 | C13 | H2 | 63.5° | 179.3° |
| N12 | C09 | C06 | H11 | 178.4° | 178.4° |
| N12 | C09 | C06 | H12 | 62.1° | 61.5° |
| N12 | C09 | H13 | H14 | 119.7° | 120.1° |
| C01 | N05 | C06 | C09 | 179.7° | 176.8° |
| N05 | C01 | H7 | H8 | 120.0° | 120.0° |
| N05 | C01 | H7 | H9 | 120.0° | 119.9° |
| N05 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | N05 | C06 | H11 | 60.1° | 56.9° |
| C01 | N05 | C06 | H12 | 59.5° | 63.2° |
| C01 | N05 | C16 | H15 | 60.8° | 56.8° |
| C01 | N05 | C16 | H16 | 58.6° | 63.3° |
| N05 | C06 | C09 | H11 | 120.2° | 119.9° |
| N05 | C06 | C09 | H12 | 120.3° | 120.0° |
| C06 | N05 | C01 | H7 | 58.1° | 60.0° |
| C06 | N05 | C01 | H8 | 178.1° | 180.0° |
| C06 | N05 | C01 | H9 | 61.9° | 59.9° |
| N05 | C06 | H11 | H12 | 119.3° | 120.0° |
| N05 | C06 | C09 | H13 | 178.3° | 178.4° |
| N05 | C06 | C09 | H14 | 61.9° | 61.5° |
| C06 | N05 | C16 | H15 | 176.8° | 179.3° |
| C06 | N05 | C16 | H16 | 63.7° | 60.6° |
| C20 | C22 | C24 | H5 | 178.9° | 179.9° |
| C45 | C34 | C35 | N37 | 0.7° | 0.4° |
| C34 | C45 | C43 | O44 | 180.0° | 179.7° |
| C34 | C45 | C43 | N38 | 1.4° | 0.5° |
| C45 | C34 | N32 | H19 | 53.6° | 0.0° |
| C45 | C34 | C35 | H20 | 179.3° | 179.8° |
| C34 | C45 | C46 | H24 | 180.0° | 90.0° |
| C34 | C45 | C46 | H25 | 60.0° | 150.0° |
| C34 | C45 | C46 | H26 | 60.0° | 30.0° |
| C35 | C34 | C45 | C43 | 1.3° | 0.6° |
| C34 | C35 | N37 | H20 | 180.0° | 179.9° |
| C34 | C35 | N37 | N38 | 0.2° | 0.1° |
| C35 | C34 | N32 | H19 | 125.0° | 179.6° |
| C45 | C43 | O44 | N38 | 178.5° | 179.8° |
| C45 | C43 | N38 | N37 | 1.0° | 0.3° |
| C45 | C43 | N38 | C39 | 179.0° | 179.7° |
| C43 | C45 | C46 | H24 | 0.8° | 89.7° |
| C43 | C45 | C46 | H25 | 120.8° | 30.3° |
| C43 | C45 | C46 | H26 | 119.2° | 150.3° |
| C09 | C06 | H11 | H12 | 119.3° | 120.1° |
| C06 | C09 | H13 | H14 | 119.7° | 120.1° |
| C35 | N37 | N38 | C43 | 0.4° | 0.1° |
| C35 | N37 | N38 | C39 | 179.6° | 180.0° |
| O44 | C43 | N38 | N37 | 179.6° | 180.0° |
| O44 | C43 | N38 | C39 | 0.3° | 0.0° |
| C43 | N38 | N37 | C39 | 180.0° | 180.0° |
| C43 | N38 | C39 | H21 | 179.9° | 179.9° |
| C43 | N38 | C39 | H22 | 60.0° | 60.0° |
| C43 | N38 | C39 | H23 | 60.0° | 60.0° |
| N38 | N37 | C35 | H20 | 179.8° | 180.0° |
| N37 | N38 | C39 | H21 | 0.0° | 0.1° |
| N37 | N38 | C39 | H22 | 120.0° | 120.0° |
| N37 | N38 | C39 | H23 | 120.0° | 120.0° |
| N38 | C39 | H21 | H22 | 120.0° | 120.0° |
| N38 | C39 | H21 | H23 | 120.0° | 120.0° |
| N38 | C39 | H22 | H23 | 120.0° | 120.0° |
| H1 | C13 | C16 | H15 | 63.4° | 58.4° |
| H1 | C13 | C16 | H16 | 56.0° | 178.5° |
| H2 | C13 | C16 | H15 | 56.3° | 61.7° |
| H2 | C13 | C16 | H16 | 175.7° | 58.4° |
| H3 | C20 | C22 | H4 | 1.0° | 0.0° |
| H4 | C22 | C24 | H5 | 1.1° | 0.0° |
| H5 | C24 | C26 | H6 | 0.6° | 0.3° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H11 | C06 | C09 | H13 | 61.5° | 61.7° |
| H11 | C06 | C09 | H14 | 58.3° | 58.4° |
| H12 | C06 | C09 | H13 | 58.1° | 58.4° |
| H12 | C06 | C09 | H14 | 177.8° | 178.5° |
| H17 | C29 | N32 | H19 | 44.0° | 120.1° |
| H18 | C29 | N32 | H19 | 74.6° | 120.0° |
| H21 | C39 | H22 | H23 | 120.0° | 120.0° |
| H24 | C46 | H25 | H26 | 120.0° | 120.0° |
