DWP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C25 | trip | 1.14Å | 1.16Å | |
| C25 | C24 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C27 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C2 | sing | 1.53Å | 1.54Å | |
| C11 | N10 | sing | 1.40Å | 1.41Å | |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| N10 | C9 | sing | 1.38Å | 1.40Å | |
| O28 | C23 | doub | 1.21Å | 1.23Å | |
| C23 | C20 | sing | 1.51Å | 1.51Å | |
| N17 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N17 | C18 | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C18 | sing | 1.50Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C18 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C3 | sing | 1.53Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| N8 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.50Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| N10 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C25 | C24 | 174.6° | 180.0° |
| C25 | C24 | C27 | 110.7° | 109.6° |
| C25 | C24 | C23 | 112.0° | 109.5° |
| C25 | C24 | H12 | 105.3° | 109.7° |
| C12 | C13 | C14 | 119.1° | 120.1° |
| C13 | C12 | C11 | 121.1° | 119.9° |
| C12 | C13 | H6 | 120.5° | 120.0° |
| C13 | C12 | H14 | 119.5° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.1° |
| C14 | C13 | H6 | 120.5° | 119.9° |
| C13 | C14 | H13 | 119.7° | 119.9° |
| C12 | C11 | N10 | 117.5° | 120.1° |
| C12 | C11 | C16 | 119.3° | 119.8° |
| C11 | C12 | H14 | 119.5° | 120.0° |
| C27 | C24 | C23 | 118.2° | 108.9° |
| C24 | C27 | C2 | 114.2° | 109.0° |
| C27 | C24 | H12 | 104.6° | 109.6° |
| C24 | C27 | H16 | 108.3° | 109.5° |
| C24 | C27 | H17 | 108.3° | 109.5° |
| C24 | C23 | O28 | 120.5° | 120.7° |
| C24 | C23 | C20 | 117.8° | 118.6° |
| C23 | C24 | H12 | 104.8° | 109.5° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H7 | 120.0° | 119.9° |
| C15 | C14 | H13 | 119.7° | 120.0° |
| C27 | C2 | C18 | 107.9° | 110.7° |
| C27 | C2 | C1 | 110.6° | 108.8° |
| C27 | C2 | C3 | 108.2° | 109.6° |
| C2 | C27 | H16 | 108.3° | 109.6° |
| C2 | C27 | H17 | 108.3° | 109.5° |
| N10 | C11 | C16 | 123.1° | 120.1° |
| C11 | N10 | C9 | 128.6° | 120.0° |
| C11 | N10 | H22 | 115.7° | 120.0° |
| C11 | C16 | C15 | 120.0° | 120.0° |
| C11 | C16 | H15 | 120.0° | 120.0° |
| N10 | C9 | N17 | 114.2° | 119.3° |
| N10 | C9 | N8 | 121.5° | 119.3° |
| C9 | N10 | H22 | 115.7° | 120.0° |
| O28 | C23 | C20 | 121.6° | 120.7° |
| C23 | C20 | C3 | 109.7° | 108.1° |
| C23 | C20 | C22 | 106.5° | 109.8° |
| C23 | C20 | H8 | 109.8° | 109.8° |
| C9 | N17 | C18 | 118.3° | 121.0° |
| N17 | C9 | N8 | 124.3° | 121.4° |
| N17 | C18 | C2 | 117.1° | 118.8° |
| N17 | C18 | C6 | 121.0° | 119.1° |
| C9 | N8 | C7 | 116.1° | 120.5° |
| C16 | C15 | H7 | 120.0° | 120.0° |
| C15 | C16 | H15 | 120.0° | 120.0° |
| C18 | C2 | C1 | 106.7° | 108.9° |
| C18 | C2 | C3 | 109.7° | 110.5° |
| C2 | C18 | C6 | 121.8° | 122.2° |
| C1 | C2 | C3 | 113.6° | 108.2° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.4° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C3 | C20 | 113.4° | 109.1° |
| C2 | C3 | C4 | 111.1° | 108.6° |
| C2 | C3 | H18 | 105.8° | 109.7° |
| C18 | C6 | C7 | 116.3° | 118.4° |
| C18 | C6 | C5 | 124.1° | 123.0° |
| C3 | C20 | C22 | 111.7° | 109.8° |
| C20 | C3 | C4 | 113.6° | 110.3° |
| C3 | C20 | H8 | 109.4° | 109.7° |
| C20 | C3 | H18 | 106.0° | 109.5° |
| C22 | C20 | H8 | 109.7° | 109.7° |
| C20 | C22 | H9 | 109.5° | 109.5° |
| C20 | C22 | H10 | 109.5° | 109.5° |
| C20 | C22 | H11 | 109.5° | 109.5° |
| N8 | C7 | C6 | 123.9° | 119.5° |
| N8 | C7 | H5 | 118.1° | 120.3° |
| C3 | C4 | C5 | 109.0° | 108.4° |
| C3 | C4 | H1 | 109.6° | 109.7° |
| C3 | C4 | H2 | 109.6° | 109.7° |
| C4 | C3 | H18 | 106.2° | 109.6° |
| C7 | C6 | C5 | 119.5° | 118.6° |
| C6 | C7 | H5 | 118.0° | 120.2° |
| C6 | C5 | C4 | 111.0° | 110.8° |
| C6 | C5 | H3 | 109.1° | 109.2° |
| C6 | C5 | H4 | 109.1° | 109.2° |
| C5 | C4 | H1 | 109.6° | 109.7° |
| C5 | C4 | H2 | 109.6° | 109.7° |
| C4 | C5 | H3 | 109.1° | 109.2° |
| C4 | C5 | H4 | 109.1° | 109.2° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H3 | C5 | H4 | 109.5° | 109.2° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H9 | C22 | H11 | 109.4° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.6° |
| H19 | C1 | H20 | 109.4° | 109.5° |
| H19 | C1 | H21 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C25 | C24 | C27 | 109.1° | 42.3° |
| N26 | C25 | C24 | C23 | 116.7° | 161.7° |
| N26 | C25 | C24 | H12 | 3.3° | 78.0° |
| C25 | C24 | C27 | C23 | 131.0° | 119.8° |
| C25 | C24 | C27 | H12 | 112.9° | 120.4° |
| C25 | C24 | C23 | H12 | 113.7° | 120.3° |
| C25 | C24 | C27 | C2 | 153.5° | 65.8° |
| C25 | C24 | C23 | O28 | 15.1° | 110.7° |
| C25 | C24 | C23 | C20 | 169.5° | 69.4° |
| C25 | C24 | C27 | H16 | 85.8° | 174.3° |
| C25 | C24 | C27 | H17 | 32.8° | 54.0° |
| C12 | C13 | C14 | H6 | 180.0° | 179.7° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C13 | C12 | C11 | N10 | 178.7° | 180.0° |
| C13 | C12 | C11 | C16 | 1.0° | 0.0° |
| C12 | C13 | C14 | H13 | 179.7° | 180.0° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | H7 | 179.6° | 179.9° |
| C14 | C13 | C12 | H14 | 179.5° | 180.0° |
| C12 | C11 | N10 | C16 | 177.6° | 180.0° |
| C12 | C11 | N10 | C9 | 141.2° | 33.2° |
| C12 | C11 | C16 | C15 | 0.8° | 0.0° |
| C11 | C12 | C13 | H6 | 179.5° | 179.8° |
| C12 | C11 | C16 | H15 | 179.2° | 180.0° |
| C12 | C11 | N10 | H22 | 38.8° | 146.8° |
| C27 | C24 | C23 | H12 | 115.9° | 119.8° |
| C24 | C27 | C2 | H16 | 120.7° | 119.9° |
| C24 | C27 | C2 | H17 | 120.7° | 119.8° |
| C27 | C24 | C23 | O28 | 145.5° | 129.5° |
| C27 | C24 | C23 | C20 | 39.1° | 50.5° |
| C24 | C27 | C2 | C18 | 145.1° | 173.8° |
| C24 | C27 | C2 | C1 | 98.6° | 54.1° |
| C24 | C27 | C2 | C3 | 26.4° | 64.1° |
| C24 | C27 | H16 | H17 | 117.8° | 120.2° |
| C23 | C24 | C27 | C2 | 22.5° | 54.0° |
| C24 | C23 | O28 | C20 | 175.3° | 179.9° |
| C24 | C23 | C20 | C3 | 1.8° | 51.0° |
| C24 | C23 | C20 | C22 | 119.2° | 170.7° |
| C24 | C23 | C20 | H8 | 122.1° | 68.6° |
| C23 | C24 | C27 | H16 | 143.2° | 65.9° |
| C23 | C24 | C27 | H17 | 98.2° | 173.8° |
| C14 | C15 | C16 | C11 | 0.1° | 0.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | H6 | 179.8° | 179.8° |
| C14 | C15 | C16 | H15 | 179.9° | 180.0° |
| C27 | C2 | C18 | N17 | 46.8° | 39.7° |
| C27 | C2 | C18 | C1 | 118.9° | 119.7° |
| C27 | C2 | C18 | C3 | 117.7° | 121.6° |
| C27 | C2 | C1 | C3 | 121.9° | 119.1° |
| C27 | C2 | C18 | C6 | 131.5° | 140.6° |
| C27 | C2 | C3 | C20 | 65.7° | 65.2° |
| C27 | C2 | C3 | C4 | 164.9° | 174.6° |
| C2 | C27 | C24 | H12 | 93.6° | 173.8° |
| C2 | C27 | H16 | H17 | 117.8° | 120.2° |
| C27 | C2 | C3 | H18 | 50.0° | 54.8° |
| C27 | C2 | C1 | H19 | 180.0° | 74.2° |
| C27 | C2 | C1 | H20 | 60.0° | 165.8° |
| C27 | C2 | C1 | H21 | 60.0° | 45.8° |
| C11 | N10 | C9 | H22 | 180.0° | 180.0° |
| C11 | N10 | C9 | N17 | 178.4° | 174.7° |
| C11 | N10 | C9 | N8 | 2.7° | 5.3° |
| N10 | C11 | C16 | C15 | 178.4° | 180.0° |
| N10 | C11 | C12 | H14 | 1.3° | 0.0° |
| N10 | C11 | C16 | H15 | 1.6° | 0.0° |
| C16 | C11 | N10 | C9 | 41.1° | 146.8° |
| C11 | C16 | C15 | H15 | 180.0° | 179.9° |
| C11 | C16 | C15 | H7 | 179.9° | 180.0° |
| C16 | C11 | C12 | H14 | 179.0° | 180.0° |
| C16 | C11 | N10 | H22 | 138.8° | 33.2° |
| N10 | C9 | N17 | N8 | 178.9° | 180.0° |
| N10 | C9 | N17 | C18 | 179.3° | 179.9° |
| N10 | C9 | N8 | C7 | 179.5° | 179.9° |
| O28 | C23 | C20 | C3 | 177.2° | 128.9° |
| O28 | C23 | C20 | C22 | 56.2° | 9.2° |
| O28 | C23 | C20 | H8 | 62.5° | 111.5° |
| O28 | C23 | C24 | H12 | 98.6° | 9.6° |
| C23 | C20 | C3 | C2 | 50.4° | 55.5° |
| C23 | C20 | C3 | C22 | 117.9° | 119.7° |
| C23 | C20 | C3 | H8 | 120.5° | 119.7° |
| C23 | C20 | C22 | H8 | 118.7° | 120.7° |
| C23 | C20 | C3 | C4 | 178.5° | 174.6° |
| C23 | C20 | C22 | H9 | 180.0° | 178.6° |
| C23 | C20 | C22 | H10 | 60.0° | 61.4° |
| C23 | C20 | C22 | H11 | 60.0° | 58.6° |
| C20 | C23 | C24 | H12 | 76.9° | 170.3° |
| C23 | C20 | C3 | H18 | 65.3° | 64.7° |
| C9 | N17 | C18 | C2 | 178.1° | 179.5° |
| C9 | N17 | C18 | C6 | 0.2° | 0.3° |
| N17 | C9 | N8 | C7 | 0.8° | 0.1° |
| N17 | C9 | N10 | H22 | 1.6° | 5.2° |
| C18 | N17 | C9 | N8 | 0.4° | 0.1° |
| N17 | C18 | C2 | C6 | 178.3° | 179.8° |
| N17 | C18 | C2 | C1 | 72.1° | 80.0° |
| N17 | C18 | C2 | C3 | 164.4° | 161.3° |
| N17 | C18 | C6 | C7 | 0.4° | 0.3° |
| N17 | C18 | C6 | C5 | 179.4° | 179.4° |
| C9 | N8 | C7 | C6 | 0.5° | 0.0° |
| C9 | N8 | C7 | H5 | 179.5° | 179.9° |
| N8 | C9 | N10 | H22 | 177.3° | 174.8° |
| C16 | C15 | C14 | H13 | 179.5° | 179.9° |
| C18 | C2 | C1 | C3 | 121.0° | 120.1° |
| C18 | C2 | C3 | C20 | 176.8° | 172.5° |
| C18 | C2 | C3 | C4 | 47.4° | 52.3° |
| C2 | C18 | C6 | C7 | 177.8° | 179.4° |
| C2 | C18 | C6 | C5 | 1.2° | 0.8° |
| C18 | C2 | C27 | H16 | 24.4° | 66.3° |
| C18 | C2 | C27 | H17 | 94.2° | 54.0° |
| C18 | C2 | C3 | H18 | 67.4° | 67.5° |
| C18 | C2 | C1 | H19 | 62.9° | 165.0° |
| C18 | C2 | C1 | H20 | 57.1° | 45.0° |
| C18 | C2 | C1 | H21 | 177.0° | 75.0° |
| C1 | C2 | C18 | C6 | 109.6° | 99.8° |
| C1 | C2 | C3 | C20 | 57.6° | 53.4° |
| C1 | C2 | C3 | C4 | 71.9° | 66.9° |
| C1 | C2 | C27 | H16 | 140.7° | 174.0° |
| C1 | C2 | C27 | H17 | 22.1° | 65.7° |
| C1 | C2 | C3 | H18 | 173.3° | 173.4° |
| C2 | C1 | H19 | H20 | 120.0° | 120.0° |
| C2 | C1 | H19 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C3 | C2 | C18 | C6 | 13.9° | 18.9° |
| C2 | C3 | C20 | C4 | 128.1° | 119.2° |
| C2 | C3 | C20 | H18 | 115.7° | 120.2° |
| C2 | C3 | C20 | C22 | 168.3° | 175.1° |
| C2 | C3 | C4 | H18 | 114.6° | 119.9° |
| C2 | C3 | C4 | C5 | 67.5° | 69.6° |
| C2 | C3 | C4 | H1 | 52.4° | 170.7° |
| C2 | C3 | C4 | H2 | 172.6° | 50.1° |
| C2 | C3 | C20 | H8 | 70.1° | 64.2° |
| C3 | C2 | C27 | H16 | 94.2° | 55.8° |
| C3 | C2 | C27 | H17 | 147.1° | 176.1° |
| C3 | C2 | C1 | H19 | 58.1° | 44.9° |
| C3 | C2 | C1 | H20 | 178.0° | 75.1° |
| C3 | C2 | C1 | H21 | 62.0° | 164.9° |
| C18 | C6 | C7 | N8 | 0.0° | 0.2° |
| C18 | C6 | C7 | C5 | 179.1° | 179.7° |
| C18 | C6 | C5 | C4 | 17.1° | 16.6° |
| C18 | C6 | C5 | H3 | 103.1° | 136.9° |
| C18 | C6 | C5 | H4 | 137.3° | 103.8° |
| C18 | C6 | C7 | H5 | 180.0° | 179.9° |
| C3 | C20 | C22 | H8 | 121.5° | 120.7° |
| C20 | C3 | C4 | H18 | 116.1° | 120.6° |
| C20 | C3 | C4 | C5 | 163.2° | 170.9° |
| C20 | C3 | C4 | H1 | 76.9° | 51.2° |
| C20 | C3 | C4 | H2 | 43.2° | 69.4° |
| C3 | C20 | C22 | H9 | 60.2° | 60.0° |
| C3 | C20 | C22 | H10 | 179.8° | 180.0° |
| C3 | C20 | C22 | H11 | 59.8° | 60.0° |
| C22 | C20 | C3 | C4 | 63.6° | 65.7° |
| C20 | C22 | H9 | H10 | 120.0° | 120.0° |
| C20 | C22 | H9 | H11 | 120.0° | 120.0° |
| C20 | C22 | H10 | H11 | 120.0° | 120.0° |
| C22 | C20 | C3 | H18 | 52.6° | 55.0° |
| N8 | C7 | C6 | H5 | 180.0° | 180.0° |
| N8 | C7 | C6 | C5 | 179.1° | 179.6° |
| C3 | C4 | C5 | C6 | 49.6° | 49.6° |
| C3 | C4 | C5 | H1 | 119.9° | 119.7° |
| C3 | C4 | C5 | H2 | 119.9° | 119.7° |
| C3 | C4 | H1 | H2 | 120.2° | 120.6° |
| C3 | C4 | C5 | H3 | 70.6° | 170.0° |
| C3 | C4 | C5 | H4 | 169.9° | 70.7° |
| C4 | C3 | C20 | H8 | 58.0° | 55.0° |
| C7 | C6 | C5 | C4 | 164.0° | 163.7° |
| C7 | C6 | C5 | H3 | 75.8° | 43.4° |
| C7 | C6 | C5 | H4 | 43.7° | 76.0° |
| C6 | C5 | C4 | H3 | 120.2° | 120.3° |
| C6 | C5 | C4 | H4 | 120.2° | 120.3° |
| C6 | C5 | C4 | H1 | 70.3° | 169.4° |
| C6 | C5 | C4 | H2 | 169.6° | 70.1° |
| C6 | C5 | H3 | H4 | 119.4° | 119.4° |
| C5 | C6 | C7 | H5 | 0.9° | 0.4° |
| C5 | C4 | H1 | H2 | 120.2° | 120.5° |
| C4 | C5 | H3 | H4 | 119.3° | 119.3° |
| C5 | C4 | C3 | H18 | 47.1° | 50.3° |
| H1 | C4 | C5 | H3 | 169.5° | 70.3° |
| H1 | C4 | C5 | H4 | 50.0° | 49.0° |
| H1 | C4 | C3 | H18 | 167.0° | 69.4° |
| H2 | C4 | C5 | H3 | 49.3° | 50.3° |
| H2 | C4 | C5 | H4 | 70.2° | 169.6° |
| H2 | C4 | C3 | H18 | 72.9° | 170.0° |
| H6 | C13 | C14 | H13 | 0.2° | 0.3° |
| H6 | C13 | C12 | H14 | 0.5° | 0.2° |
| H7 | C15 | C14 | H13 | 0.4° | 0.0° |
| H7 | C15 | C16 | H15 | 0.1° | 0.1° |
| H8 | C20 | C22 | H9 | 61.3° | 60.7° |
| H8 | C20 | C22 | H10 | 58.7° | 59.3° |
| H8 | C20 | C22 | H11 | 178.7° | 179.3° |
| H8 | C20 | C3 | H18 | 174.2° | 175.7° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C24 | C27 | H16 | 27.1° | 53.8° |
| H12 | C24 | C27 | H17 | 145.7° | 66.4° |
| H19 | C1 | H20 | H21 | 120.0° | 120.0° |
