P64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | N27 | sing | 1.47Å | 1.45Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| N27 | C24 | sing | 1.40Å | 1.40Å | |
| N27 | C28 | sing | 1.46Å | 1.46Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C14 | sing | 1.51Å | 1.51Å | |
| C21 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| N12 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C08 | sing | 1.51Å | 1.51Å | |
| C09 | C08 | doub | 1.36Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| N01 | C10 | doub | 1.34Å | 1.35Å | Aromatic |
| N01 | C02 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | C05 | sing | 1.42Å | 1.48Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.40Å | Aromatic |
| N02 | C02 | sing | 1.39Å | 1.36Å | |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.40Å | Aromatic |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N12 | H15 | sing | 1.01Å | 1.00Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.08Å | 1.08Å | |
| C07 | H20 | sing | 1.08Å | 1.08Å | |
| C06 | H21 | sing | 1.08Å | 1.08Å | |
| C04 | H22 | sing | 1.08Å | 1.08Å | |
| C03 | H23 | sing | 1.08Å | 1.08Å | |
| N02 | H24 | sing | 0.97Å | 1.00Å | |
| N02 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N27 | C24 | 119.1° | 120.0° |
| C29 | N27 | C28 | 120.2° | 120.0° |
| N27 | C29 | H4 | 109.5° | 109.5° |
| N27 | C29 | H5 | 109.4° | 109.5° |
| N27 | C29 | H6 | 109.4° | 109.5° |
| C22 | C23 | C24 | 120.1° | 119.9° |
| C23 | C22 | C21 | 119.5° | 120.1° |
| C22 | C23 | H9 | 120.0° | 120.0° |
| C23 | C22 | H10 | 120.3° | 119.9° |
| C23 | C24 | N27 | 120.1° | 120.1° |
| C23 | C24 | C25 | 120.3° | 119.9° |
| C24 | C23 | H9 | 119.9° | 120.0° |
| C22 | C21 | C14 | 120.8° | 119.9° |
| C22 | C21 | C26 | 120.1° | 120.1° |
| C21 | C22 | H10 | 120.3° | 120.0° |
| C24 | N27 | C28 | 120.7° | 120.0° |
| N27 | C24 | C25 | 119.6° | 120.0° |
| N27 | C28 | H1 | 109.5° | 109.5° |
| N27 | C28 | H2 | 109.5° | 109.5° |
| N27 | C28 | H3 | 109.5° | 109.5° |
| C24 | C25 | C26 | 119.4° | 119.9° |
| C24 | C25 | H8 | 120.3° | 120.0° |
| C14 | C21 | C26 | 119.1° | 120.0° |
| C21 | C14 | C13 | 108.8° | 109.4° |
| C21 | C14 | H11 | 109.7° | 109.4° |
| C21 | C14 | H12 | 109.6° | 109.5° |
| C21 | C26 | C25 | 120.5° | 120.1° |
| C21 | C26 | H7 | 119.7° | 119.9° |
| C14 | C13 | N12 | 109.8° | 109.5° |
| C13 | C14 | H11 | 109.6° | 109.5° |
| C13 | C14 | H12 | 109.7° | 109.5° |
| C14 | C13 | H13 | 109.4° | 109.5° |
| C14 | C13 | H14 | 109.4° | 109.5° |
| C25 | C26 | H7 | 119.7° | 120.0° |
| C26 | C25 | H8 | 120.3° | 120.0° |
| C13 | N12 | C11 | 107.3° | 111.0° |
| N12 | C13 | H13 | 109.4° | 109.5° |
| N12 | C13 | H14 | 109.4° | 109.4° |
| C13 | N12 | H15 | 110.0° | 111.0° |
| N12 | C11 | C08 | 115.4° | 109.4° |
| C11 | N12 | H15 | 110.0° | 111.0° |
| N12 | C11 | H17 | 108.0° | 109.5° |
| N12 | C11 | H18 | 108.0° | 109.5° |
| C11 | C08 | C09 | 116.3° | 119.5° |
| C11 | C08 | C07 | 123.3° | 119.5° |
| C08 | C11 | H17 | 108.0° | 109.5° |
| C08 | C11 | H18 | 108.0° | 109.5° |
| C08 | C09 | C10 | 120.2° | 119.8° |
| C09 | C08 | C07 | 120.4° | 121.0° |
| C08 | C09 | H19 | 119.9° | 120.1° |
| C09 | C10 | N01 | 119.7° | 121.0° |
| C09 | C10 | C05 | 119.7° | 119.0° |
| C10 | C09 | H19 | 119.9° | 120.1° |
| C08 | C07 | C06 | 122.0° | 120.8° |
| C08 | C07 | H20 | 119.0° | 119.6° |
| C10 | N01 | C02 | 120.8° | 121.2° |
| N01 | C10 | C05 | 120.6° | 120.0° |
| N01 | C02 | N02 | 118.5° | 119.3° |
| N01 | C02 | C03 | 120.6° | 121.5° |
| C10 | C05 | C06 | 119.0° | 119.6° |
| C10 | C05 | C04 | 117.8° | 119.1° |
| C07 | C06 | C05 | 118.7° | 119.7° |
| C06 | C07 | H20 | 119.0° | 119.6° |
| C07 | C06 | H21 | 120.6° | 120.2° |
| N02 | C02 | C03 | 120.9° | 119.2° |
| C02 | N02 | H24 | 109.5° | 120.1° |
| C02 | N02 | H25 | 109.5° | 120.0° |
| C02 | C03 | C04 | 121.6° | 119.8° |
| C02 | C03 | H23 | 119.2° | 120.0° |
| C06 | C05 | C04 | 123.2° | 121.2° |
| C05 | C06 | H21 | 120.6° | 120.2° |
| C05 | C04 | C03 | 118.6° | 118.3° |
| C05 | C04 | H22 | 120.7° | 120.9° |
| C03 | C04 | H22 | 120.7° | 120.8° |
| C04 | C03 | H23 | 119.2° | 120.1° |
| H1 | C28 | H2 | 109.4° | 109.5° |
| H1 | C28 | H3 | 109.5° | 109.5° |
| H2 | C28 | H3 | 109.5° | 109.5° |
| H4 | C29 | H5 | 109.5° | 109.5° |
| H4 | C29 | H6 | 109.5° | 109.4° |
| H5 | C29 | H6 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H24 | N02 | H25 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N27 | C24 | C23 | 37.4° | 0.1° |
| C29 | N27 | C24 | C28 | 179.7° | 180.0° |
| C29 | N27 | C24 | C25 | 142.3° | 180.0° |
| C29 | N27 | C28 | H1 | 180.0° | 120.0° |
| C29 | N27 | C28 | H2 | 60.0° | 0.0° |
| C29 | N27 | C28 | H3 | 60.0° | 120.0° |
| N27 | C29 | H4 | H5 | 120.0° | 120.1° |
| N27 | C29 | H4 | H6 | 120.0° | 120.0° |
| N27 | C29 | H5 | H6 | 120.0° | 120.0° |
| C22 | C23 | C24 | H9 | 180.0° | 179.8° |
| C23 | C22 | C21 | H10 | 180.0° | 179.8° |
| C22 | C23 | C24 | N27 | 179.7° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C21 | C14 | 179.8° | 180.0° |
| C23 | C22 | C21 | C26 | 0.8° | 0.5° |
| C24 | C23 | C22 | C21 | 0.4° | 0.2° |
| C23 | C24 | N27 | C25 | 179.7° | 179.9° |
| C23 | C24 | N27 | C28 | 142.3° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H8 | 179.9° | 179.9° |
| C24 | C23 | C22 | H10 | 179.6° | 180.0° |
| C22 | C21 | C14 | C26 | 179.4° | 179.4° |
| C22 | C21 | C14 | C13 | 115.1° | 90.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.6° |
| C22 | C21 | C26 | H7 | 179.3° | 179.7° |
| C21 | C22 | C23 | H9 | 179.6° | 180.0° |
| C22 | C21 | C14 | H11 | 125.0° | 150.0° |
| C22 | C21 | C14 | H12 | 4.8° | 30.0° |
| N27 | C24 | C25 | C26 | 179.8° | 180.0° |
| C24 | N27 | C28 | H1 | 0.3° | 60.0° |
| C24 | N27 | C28 | H2 | 119.7° | 180.0° |
| C24 | N27 | C28 | H3 | 120.3° | 60.0° |
| C24 | N27 | C29 | H4 | 180.0° | 90.0° |
| C24 | N27 | C29 | H5 | 60.0° | 150.0° |
| C24 | N27 | C29 | H6 | 60.0° | 30.0° |
| N27 | C24 | C25 | H8 | 0.2° | 0.0° |
| N27 | C24 | C23 | H9 | 0.3° | 0.2° |
| C28 | N27 | C24 | C25 | 38.0° | 0.0° |
| N27 | C28 | H1 | H2 | 120.0° | 120.0° |
| N27 | C28 | H1 | H3 | 120.0° | 120.0° |
| N27 | C28 | H2 | H3 | 120.0° | 120.0° |
| C28 | N27 | C29 | H4 | 0.2° | 90.0° |
| C28 | N27 | C29 | H5 | 119.7° | 30.0° |
| C28 | N27 | C29 | H6 | 120.2° | 150.0° |
| C24 | C25 | C26 | C21 | 0.2° | 0.3° |
| C24 | C25 | C26 | H8 | 180.0° | 180.0° |
| C24 | C25 | C26 | H7 | 179.8° | 180.0° |
| C25 | C24 | C23 | H9 | 180.0° | 179.7° |
| C21 | C14 | C13 | H11 | 119.9° | 119.9° |
| C21 | C14 | C13 | H12 | 119.9° | 120.0° |
| C14 | C21 | C26 | C25 | 179.9° | 180.0° |
| C21 | C14 | C13 | N12 | 148.1° | 180.0° |
| C14 | C21 | C26 | H7 | 0.1° | 0.3° |
| C14 | C21 | C22 | H10 | 0.2° | 0.3° |
| C21 | C14 | H11 | H12 | 120.3° | 120.0° |
| C21 | C14 | C13 | H13 | 91.9° | 60.0° |
| C21 | C14 | C13 | H14 | 28.0° | 60.0° |
| C26 | C21 | C14 | C13 | 65.4° | 90.6° |
| C21 | C26 | C25 | H7 | 180.0° | 179.7° |
| C21 | C26 | C25 | H8 | 179.8° | 179.8° |
| C26 | C21 | C22 | H10 | 179.2° | 179.7° |
| C26 | C21 | C14 | H11 | 54.4° | 29.4° |
| C26 | C21 | C14 | H12 | 174.7° | 149.5° |
| C14 | C13 | N12 | H13 | 120.1° | 120.0° |
| C14 | C13 | N12 | H14 | 120.0° | 120.0° |
| C14 | C13 | N12 | C11 | 134.3° | 180.0° |
| C13 | C14 | H11 | H12 | 120.3° | 120.1° |
| C14 | C13 | H13 | H14 | 119.8° | 120.0° |
| C14 | C13 | N12 | H15 | 106.1° | 56.0° |
| C13 | N12 | C11 | H15 | 119.6° | 123.9° |
| C13 | N12 | C11 | C08 | 175.2° | 180.0° |
| N12 | C13 | C14 | H11 | 28.2° | 60.1° |
| N12 | C13 | C14 | H12 | 92.1° | 60.0° |
| N12 | C13 | H13 | H14 | 119.8° | 119.9° |
| C13 | N12 | C11 | H17 | 63.9° | 60.0° |
| C13 | N12 | C11 | H18 | 54.4° | 60.0° |
| N12 | C11 | C08 | H17 | 120.9° | 120.0° |
| N12 | C11 | C08 | H18 | 120.9° | 120.0° |
| N12 | C11 | C08 | C09 | 135.9° | 90.0° |
| N12 | C11 | C08 | C07 | 45.0° | 90.1° |
| C11 | N12 | C13 | H13 | 14.2° | 60.0° |
| C11 | N12 | C13 | H14 | 105.7° | 60.0° |
| N12 | C11 | H17 | H18 | 117.3° | 120.0° |
| C11 | C08 | C09 | C07 | 179.2° | 179.9° |
| C11 | C08 | C09 | C10 | 179.5° | 180.0° |
| C11 | C08 | C07 | C06 | 179.2° | 180.0° |
| C08 | C11 | N12 | H15 | 55.6° | 56.1° |
| C08 | C11 | H17 | H18 | 117.3° | 120.0° |
| C11 | C08 | C09 | H19 | 0.5° | 0.0° |
| C11 | C08 | C07 | H20 | 0.8° | 0.0° |
| C08 | C09 | C10 | H19 | 180.0° | 179.9° |
| C08 | C09 | C10 | N01 | 179.8° | 179.8° |
| C08 | C09 | C10 | C05 | 1.9° | 0.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.0° |
| C09 | C08 | C11 | H17 | 15.0° | 30.0° |
| C09 | C08 | C11 | H18 | 103.3° | 150.0° |
| C09 | C08 | C07 | H20 | 179.9° | 179.9° |
| C10 | C09 | C08 | C07 | 1.3° | 0.0° |
| C09 | C10 | N01 | C05 | 178.2° | 179.8° |
| C09 | C10 | N01 | C02 | 178.2° | 179.7° |
| C09 | C10 | C05 | C06 | 1.2° | 0.0° |
| C09 | C10 | C05 | C04 | 178.3° | 180.0° |
| C08 | C07 | C06 | H20 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C07 | C08 | C11 | H17 | 165.9° | 150.0° |
| C07 | C08 | C11 | H18 | 75.9° | 29.9° |
| C07 | C08 | C09 | H19 | 178.7° | 179.9° |
| C08 | C07 | C06 | H21 | 179.5° | 180.0° |
| C10 | N01 | C02 | N02 | 179.5° | 179.7° |
| C10 | N01 | C02 | C03 | 0.2° | 0.5° |
| N01 | C10 | C05 | C06 | 179.5° | 179.8° |
| N01 | C10 | C05 | C04 | 0.1° | 0.2° |
| N01 | C10 | C09 | H19 | 0.2° | 0.1° |
| C02 | N01 | C10 | C05 | 0.1° | 0.5° |
| N01 | C02 | N02 | C03 | 179.3° | 179.8° |
| N01 | C02 | C03 | C04 | 0.2° | 0.2° |
| N01 | C02 | C03 | H23 | 179.8° | 179.7° |
| N01 | C02 | N02 | H24 | 0.0° | 179.8° |
| N01 | C02 | N02 | H25 | 120.0° | 0.2° |
| C10 | C05 | C06 | C07 | 0.0° | 0.0° |
| C10 | C05 | C06 | C04 | 179.5° | 180.0° |
| C10 | C05 | C04 | C03 | 0.0° | 0.0° |
| C05 | C10 | C09 | H19 | 178.1° | 179.9° |
| C10 | C05 | C06 | H21 | 179.9° | 179.9° |
| C10 | C05 | C04 | H22 | 180.0° | 180.0° |
| C07 | C06 | C05 | H21 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 179.5° | 180.0° |
| N02 | C02 | C03 | C04 | 179.5° | 180.0° |
| N02 | C02 | C03 | H23 | 0.5° | 0.1° |
| C02 | N02 | H24 | H25 | 120.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | H23 | 180.0° | 179.9° |
| C02 | C03 | C04 | H22 | 179.9° | 180.0° |
| C03 | C02 | N02 | H24 | 179.3° | 0.0° |
| C03 | C02 | N02 | H25 | 60.7° | 180.0° |
| C06 | C05 | C04 | C03 | 179.5° | 179.9° |
| C05 | C06 | C07 | H20 | 179.4° | 179.9° |
| C06 | C05 | C04 | H22 | 0.5° | 0.0° |
| C05 | C04 | C03 | H22 | 180.0° | 180.0° |
| C04 | C05 | C06 | H21 | 0.6° | 0.1° |
| C05 | C04 | C03 | H23 | 179.9° | 180.0° |
| H1 | C28 | H2 | H3 | 120.0° | 120.0° |
| H4 | C29 | H5 | H6 | 120.0° | 120.0° |
| H7 | C26 | C25 | H8 | 0.2° | 0.0° |
| H9 | C23 | C22 | H10 | 0.4° | 0.2° |
| H11 | C14 | C13 | H13 | 148.2° | 179.9° |
| H11 | C14 | C13 | H14 | 91.9° | 59.9° |
| H12 | C14 | C13 | H13 | 28.0° | 60.0° |
| H12 | C14 | C13 | H14 | 147.9° | 180.0° |
| H13 | C13 | N12 | H15 | 133.9° | 176.1° |
| H14 | C13 | N12 | H15 | 14.0° | 64.0° |
| H15 | N12 | C11 | H17 | 176.5° | 176.0° |
| H15 | N12 | C11 | H18 | 65.2° | 63.9° |
| H20 | C07 | C06 | H21 | 0.5° | 0.0° |
| H22 | C04 | C03 | H23 | 0.1° | 0.0° |
