DNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | N5 | sing | 1.47Å | 1.48Å | |
| C6 | C1 | sing | 1.53Å | 1.54Å | |
| O20 | C21 | sing | 1.37Å | 1.36Å | |
| O20 | C2 | sing | 1.43Å | 1.42Å | |
| C26 | C25 | sing | 1.38Å | 1.34Å | Aromatic |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C4 | sing | 1.47Å | 1.46Å | |
| N5 | C7 | sing | 1.35Å | 1.38Å | |
| N11 | C10 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.59Å | |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| C9 | C13 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O23 | sing | 1.44Å | 1.42Å | |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | O8 | doub | 1.21Å | 1.24Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | O23 | sing | 1.37Å | 1.37Å | |
| C22 | C24 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | CL | sing | 1.74Å | 1.71Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N11 | H18 | sing | 1.01Å | 1.00Å | |
| N11 | H19 | sing | 1.01Å | 1.00Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C21 | 116.0° | 120.0° |
| C27 | C26 | C25 | 118.4° | 120.2° |
| C27 | C26 | H7 | 120.8° | 119.9° |
| C26 | C27 | H8 | 122.0° | 120.0° |
| C27 | C21 | O20 | 127.5° | 131.5° |
| C27 | C21 | C22 | 122.6° | 119.8° |
| C21 | C27 | H8 | 122.0° | 120.0° |
| N5 | C6 | C1 | 112.2° | 108.7° |
| C6 | N5 | C4 | 114.2° | 118.9° |
| C6 | N5 | C7 | 123.6° | 120.6° |
| N5 | C6 | H15 | 108.8° | 109.6° |
| N5 | C6 | H16 | 108.8° | 109.6° |
| C6 | C1 | C2 | 109.0° | 109.4° |
| C6 | C1 | H9 | 109.6° | 109.5° |
| C6 | C1 | H10 | 109.6° | 109.5° |
| C1 | C6 | H15 | 108.8° | 109.6° |
| C1 | C6 | H16 | 108.8° | 109.6° |
| C21 | O20 | C2 | 106.3° | 105.3° |
| O20 | C21 | C22 | 109.2° | 108.7° |
| O20 | C2 | C1 | 110.5° | 110.2° |
| O20 | C2 | C3 | 104.4° | 110.7° |
| O20 | C2 | O23 | 109.0° | 104.3° |
| C26 | C25 | C24 | 125.7° | 120.1° |
| C26 | C25 | H6 | 117.2° | 119.9° |
| C25 | C26 | H7 | 120.8° | 119.9° |
| C12 | C10 | N11 | 108.2° | 109.5° |
| C12 | C10 | C9 | 111.7° | 109.5° |
| C12 | C10 | H1 | 108.0° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C10 | C12 | H22 | 109.4° | 109.5° |
| C10 | C12 | H23 | 109.4° | 109.5° |
| C21 | C22 | O23 | 109.7° | 108.6° |
| C21 | C22 | C24 | 121.3° | 119.9° |
| C4 | N5 | C7 | 117.4° | 120.6° |
| N5 | C4 | C3 | 108.8° | 108.7° |
| N5 | C4 | H13 | 109.7° | 109.6° |
| N5 | C4 | H14 | 109.6° | 109.7° |
| N5 | C7 | C9 | 118.1° | 120.0° |
| N5 | C7 | O8 | 118.4° | 120.0° |
| N11 | C10 | C9 | 112.1° | 109.4° |
| N11 | C10 | H1 | 109.1° | 109.4° |
| C10 | N11 | H18 | 109.5° | 111.0° |
| C10 | N11 | H19 | 109.5° | 111.0° |
| C1 | C2 | C3 | 113.5° | 110.8° |
| C1 | C2 | O23 | 112.4° | 110.4° |
| C2 | C1 | H9 | 109.6° | 109.5° |
| C2 | C1 | H10 | 109.6° | 109.5° |
| C10 | C9 | C7 | 110.6° | 109.5° |
| C10 | C9 | C13 | 108.8° | 109.5° |
| C9 | C10 | H1 | 107.5° | 109.5° |
| C10 | C9 | H17 | 108.6° | 109.5° |
| C7 | C9 | C13 | 109.8° | 109.5° |
| C9 | C7 | O8 | 123.5° | 120.0° |
| C7 | C9 | H17 | 109.5° | 109.5° |
| C9 | C13 | C14 | 120.3° | 120.0° |
| C9 | C13 | C19 | 120.2° | 120.0° |
| C13 | C9 | H17 | 109.6° | 109.5° |
| C4 | C3 | C2 | 109.5° | 109.4° |
| C4 | C3 | H11 | 109.5° | 109.5° |
| C4 | C3 | H12 | 109.5° | 109.5° |
| C3 | C4 | H13 | 109.6° | 109.6° |
| C3 | C4 | H14 | 109.6° | 109.6° |
| C3 | C2 | O23 | 106.6° | 110.4° |
| C2 | C3 | H11 | 109.5° | 109.4° |
| C2 | C3 | H12 | 109.5° | 109.5° |
| C2 | O23 | C22 | 105.3° | 105.2° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C14 | C13 | C19 | 119.4° | 120.0° |
| C13 | C14 | H24 | 119.9° | 119.9° |
| C14 | C15 | C16 | 118.3° | 120.0° |
| C14 | C15 | H2 | 120.9° | 120.0° |
| C15 | C14 | H24 | 119.9° | 120.0° |
| C25 | C24 | C22 | 113.8° | 120.0° |
| C25 | C24 | H5 | 123.1° | 119.9° |
| C24 | C25 | H6 | 117.2° | 119.9° |
| O23 | C22 | C24 | 128.5° | 131.5° |
| C22 | C24 | H5 | 123.1° | 120.0° |
| C13 | C19 | C18 | 120.5° | 120.0° |
| C13 | C19 | H4 | 119.7° | 120.0° |
| C15 | C16 | C18 | 122.7° | 119.9° |
| C15 | C16 | CL | 119.1° | 120.0° |
| C16 | C15 | H2 | 120.9° | 119.9° |
| C19 | C18 | C16 | 118.6° | 120.0° |
| C19 | C18 | H3 | 120.7° | 120.0° |
| C18 | C19 | H4 | 119.8° | 120.0° |
| C18 | C16 | CL | 118.2° | 120.0° |
| C16 | C18 | H3 | 120.7° | 120.0° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H13 | C4 | H14 | 109.5° | 109.6° |
| H15 | C6 | H16 | 109.5° | 109.7° |
| H18 | N11 | H19 | 109.4° | 111.0° |
| H21 | C12 | H22 | 109.5° | 109.4° |
| H21 | C12 | H23 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C21 | H8 | 180.0° | 180.0° |
| C26 | C27 | C21 | O20 | 173.7° | 179.6° |
| C27 | C26 | C25 | H7 | 180.0° | 180.0° |
| C26 | C27 | C21 | C22 | 4.3° | 0.0° |
| C27 | C26 | C25 | C24 | 17.9° | 0.0° |
| C27 | C26 | C25 | H6 | 162.1° | 179.9° |
| C27 | C21 | O20 | C22 | 170.6° | 179.6° |
| C27 | C21 | O20 | C2 | 174.3° | 162.8° |
| C21 | C27 | C26 | C25 | 8.2° | 0.1° |
| C27 | C21 | C22 | O23 | 178.3° | 179.9° |
| C27 | C21 | C22 | C24 | 8.9° | 0.0° |
| C21 | C27 | C26 | H7 | 171.8° | 179.9° |
| N5 | C6 | C1 | H15 | 120.4° | 119.8° |
| N5 | C6 | C1 | H16 | 120.4° | 119.8° |
| C6 | N5 | C4 | C7 | 156.5° | 180.0° |
| N5 | C6 | C1 | C2 | 50.4° | 53.8° |
| C6 | N5 | C7 | C9 | 26.8° | 5.4° |
| C6 | N5 | C4 | C3 | 59.6° | 54.2° |
| C6 | N5 | C7 | O8 | 153.6° | 174.6° |
| N5 | C6 | C1 | H9 | 170.3° | 66.2° |
| N5 | C6 | C1 | H10 | 69.5° | 173.8° |
| C6 | N5 | C4 | H13 | 179.5° | 65.6° |
| C6 | N5 | C4 | H14 | 60.3° | 174.0° |
| N5 | C6 | H15 | H16 | 118.7° | 120.4° |
| C6 | C1 | C2 | O20 | 65.1° | 62.7° |
| C1 | C6 | N5 | C4 | 57.1° | 54.1° |
| C1 | C6 | N5 | C7 | 97.7° | 126.0° |
| C6 | C1 | C2 | H9 | 119.9° | 120.0° |
| C6 | C1 | C2 | H10 | 119.9° | 120.0° |
| C6 | C1 | C2 | C3 | 51.7° | 60.1° |
| C6 | C1 | C2 | O23 | 172.8° | 177.4° |
| C6 | C1 | H9 | H10 | 120.2° | 120.0° |
| C1 | C6 | H15 | H16 | 118.8° | 120.4° |
| C21 | O20 | C2 | C1 | 124.9° | 145.3° |
| C21 | O20 | C2 | C3 | 112.7° | 91.8° |
| C21 | O20 | C2 | O23 | 0.9° | 26.8° |
| O20 | C21 | C22 | O23 | 7.2° | 0.2° |
| O20 | C21 | C22 | C24 | 179.9° | 179.7° |
| O20 | C21 | C27 | H8 | 6.3° | 0.4° |
| C2 | O20 | C21 | C22 | 3.7° | 16.9° |
| O20 | C2 | C1 | C3 | 116.9° | 122.8° |
| O20 | C2 | C1 | O23 | 122.0° | 114.7° |
| O20 | C2 | C3 | C4 | 64.2° | 62.4° |
| O20 | C2 | C3 | O23 | 115.3° | 114.9° |
| O20 | C2 | O23 | C22 | 5.2° | 27.0° |
| O20 | C2 | C1 | H9 | 54.8° | 177.3° |
| O20 | C2 | C1 | H10 | 175.0° | 57.2° |
| O20 | C2 | C3 | H11 | 175.8° | 57.6° |
| O20 | C2 | C3 | H12 | 55.8° | 177.6° |
| C26 | C25 | C24 | H6 | 180.0° | 180.0° |
| C26 | C25 | C24 | C22 | 13.0° | 0.0° |
| C26 | C25 | C24 | H5 | 167.0° | 179.9° |
| C25 | C26 | C27 | H8 | 171.8° | 180.0° |
| C12 | C10 | N11 | C9 | 123.7° | 120.0° |
| C12 | C10 | N11 | H1 | 117.3° | 120.0° |
| C12 | C10 | C9 | H1 | 118.4° | 120.0° |
| C12 | C10 | C9 | C7 | 56.9° | 64.8° |
| C12 | C10 | C9 | C13 | 177.6° | 175.2° |
| C12 | C10 | C9 | H17 | 63.2° | 55.1° |
| C12 | C10 | N11 | H18 | 180.0° | 56.0° |
| C12 | C10 | N11 | H19 | 60.0° | 180.0° |
| C10 | C12 | H21 | H22 | 120.0° | 120.1° |
| C10 | C12 | H21 | H23 | 120.0° | 120.1° |
| C10 | C12 | H22 | H23 | 120.0° | 120.0° |
| C21 | C22 | O23 | C2 | 7.4° | 17.2° |
| C21 | C22 | C24 | C25 | 0.6° | 0.0° |
| C21 | C22 | O23 | C24 | 172.1° | 179.9° |
| C21 | C22 | C24 | H5 | 179.4° | 180.0° |
| C22 | C21 | C27 | H8 | 175.7° | 180.0° |
| C4 | N5 | C7 | C9 | 179.2° | 174.6° |
| N5 | C4 | C3 | H13 | 119.9° | 119.7° |
| N5 | C4 | C3 | H14 | 119.9° | 119.9° |
| N5 | C4 | C3 | C2 | 57.4° | 53.9° |
| C4 | N5 | C7 | O8 | 0.4° | 5.4° |
| N5 | C4 | C3 | H11 | 62.7° | 173.8° |
| N5 | C4 | C3 | H12 | 177.4° | 66.1° |
| N5 | C4 | H13 | H14 | 120.3° | 120.5° |
| C4 | N5 | C6 | H15 | 63.3° | 173.9° |
| C4 | N5 | C6 | H16 | 177.5° | 65.7° |
| N5 | C7 | C9 | C10 | 144.4° | 145.3° |
| N5 | C7 | C9 | O8 | 179.6° | 180.0° |
| N5 | C7 | C9 | C13 | 95.5° | 94.7° |
| C7 | N5 | C4 | C3 | 96.8° | 125.9° |
| C7 | N5 | C4 | H13 | 23.1° | 114.3° |
| C7 | N5 | C4 | H14 | 143.3° | 6.1° |
| C7 | N5 | C6 | H15 | 141.9° | 6.2° |
| C7 | N5 | C6 | H16 | 22.7° | 114.3° |
| N5 | C7 | C9 | H17 | 24.8° | 25.3° |
| N11 | C10 | C9 | H1 | 119.9° | 120.0° |
| N11 | C10 | C9 | C7 | 178.6° | 175.2° |
| N11 | C10 | C9 | C13 | 60.7° | 55.1° |
| N11 | C10 | C9 | H17 | 58.5° | 64.9° |
| C10 | N11 | H18 | H19 | 120.0° | 124.0° |
| N11 | C10 | C12 | H21 | 180.0° | 175.0° |
| N11 | C10 | C12 | H22 | 60.0° | 55.0° |
| N11 | C10 | C12 | H23 | 60.0° | 65.0° |
| C1 | C2 | C3 | C4 | 56.2° | 60.1° |
| C1 | C2 | C3 | O23 | 124.3° | 122.6° |
| C1 | C2 | O23 | C22 | 128.0° | 145.3° |
| C2 | C1 | H9 | H10 | 120.2° | 120.0° |
| C1 | C2 | C3 | H11 | 63.8° | 179.9° |
| C1 | C2 | C3 | H12 | 176.2° | 59.9° |
| C2 | C1 | C6 | H15 | 70.0° | 173.6° |
| C2 | C1 | C6 | H16 | 170.8° | 66.0° |
| C10 | C9 | C7 | C13 | 120.1° | 120.0° |
| C10 | C9 | C7 | H17 | 119.6° | 120.0° |
| C10 | C9 | C13 | H17 | 118.6° | 120.0° |
| C10 | C9 | C13 | C14 | 116.3° | 60.2° |
| C10 | C9 | C7 | O8 | 35.2° | 34.7° |
| C10 | C9 | C13 | C19 | 62.6° | 120.0° |
| C9 | C10 | N11 | H18 | 56.3° | 176.0° |
| C9 | C10 | N11 | H19 | 63.7° | 60.0° |
| C9 | C10 | C12 | H21 | 56.1° | 65.0° |
| C9 | C10 | C12 | H22 | 176.1° | 175.0° |
| C9 | C10 | C12 | H23 | 63.9° | 55.0° |
| C7 | C9 | C13 | H17 | 120.3° | 120.0° |
| C7 | C9 | C13 | C14 | 122.5° | 59.8° |
| C7 | C9 | C13 | C19 | 58.5° | 120.0° |
| C7 | C9 | C10 | H1 | 61.5° | 55.2° |
| C9 | C13 | C14 | C19 | 178.9° | 179.8° |
| C9 | C13 | C14 | C15 | 178.2° | 179.7° |
| C13 | C9 | C7 | O8 | 84.9° | 85.3° |
| C9 | C13 | C19 | C18 | 177.9° | 180.0° |
| C13 | C9 | C10 | H1 | 59.2° | 64.8° |
| C9 | C13 | C19 | H4 | 2.0° | 0.0° |
| C9 | C13 | C14 | H24 | 1.9° | 0.2° |
| C4 | C3 | C2 | H11 | 120.0° | 120.0° |
| C4 | C3 | C2 | H12 | 120.0° | 120.0° |
| C4 | C3 | C2 | O23 | 179.5° | 177.3° |
| C4 | C3 | H11 | H12 | 120.0° | 120.1° |
| C3 | C4 | H13 | H14 | 120.3° | 120.3° |
| C3 | C2 | O23 | C22 | 107.0° | 91.9° |
| C3 | C2 | C1 | H9 | 171.6° | 59.9° |
| C3 | C2 | C1 | H10 | 68.2° | 180.0° |
| C2 | C3 | H11 | H12 | 120.0° | 120.0° |
| C2 | C3 | C4 | H13 | 177.3° | 65.8° |
| C2 | C3 | C4 | H14 | 62.5° | 173.8° |
| C2 | O23 | C22 | C24 | 179.5° | 162.7° |
| O23 | C2 | C1 | H9 | 67.3° | 62.6° |
| O23 | C2 | C1 | H10 | 52.9° | 57.4° |
| O23 | C2 | C3 | H11 | 60.5° | 57.3° |
| O23 | C2 | C3 | H12 | 59.5° | 62.7° |
| C13 | C14 | C15 | H24 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 5.6° | 0.0° |
| C14 | C13 | C19 | C18 | 1.0° | 0.2° |
| C13 | C14 | C15 | H2 | 174.4° | 179.7° |
| C14 | C13 | C19 | H4 | 179.0° | 179.8° |
| C14 | C13 | C9 | H17 | 2.3° | 179.8° |
| C15 | C14 | C13 | C19 | 2.9° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.7° |
| C14 | C15 | C16 | C18 | 4.6° | 0.3° |
| C14 | C15 | C16 | CL | 177.9° | 179.8° |
| O8 | C7 | C9 | H17 | 154.8° | 154.7° |
| C25 | C24 | C22 | O23 | 171.8° | 179.9° |
| C25 | C24 | C22 | H5 | 180.0° | 179.9° |
| C24 | C25 | C26 | H7 | 162.1° | 179.9° |
| O23 | C22 | C24 | H5 | 8.2° | 0.2° |
| C22 | C24 | C25 | H6 | 167.0° | 180.0° |
| C13 | C19 | C18 | H4 | 180.0° | 179.9° |
| C13 | C19 | C18 | C16 | 2.1° | 0.5° |
| C13 | C19 | C18 | H3 | 177.9° | 180.0° |
| C19 | C13 | C9 | H17 | 178.8° | 0.0° |
| C19 | C13 | C14 | H24 | 177.1° | 180.0° |
| C15 | C16 | C18 | C19 | 0.8° | 0.5° |
| C15 | C16 | C18 | CL | 177.6° | 179.9° |
| C15 | C16 | C18 | H3 | 179.3° | 180.0° |
| C16 | C15 | C14 | H24 | 174.4° | 180.0° |
| C19 | C18 | C16 | H3 | 180.0° | 179.5° |
| C19 | C18 | C16 | CL | 178.3° | 179.5° |
| C18 | C16 | C15 | H2 | 175.4° | 180.0° |
| C16 | C18 | C19 | H4 | 177.9° | 179.4° |
| CL | C16 | C15 | H2 | 2.1° | 0.1° |
| CL | C16 | C18 | H3 | 1.7° | 0.1° |
| H1 | C10 | C9 | H17 | 178.4° | 175.2° |
| H1 | C10 | N11 | H18 | 62.7° | 64.0° |
| H1 | C10 | N11 | H19 | 177.4° | 60.0° |
| H1 | C10 | C12 | H21 | 62.0° | 55.0° |
| H1 | C10 | C12 | H22 | 58.0° | 65.0° |
| H1 | C10 | C12 | H23 | 178.1° | 175.0° |
| H2 | C15 | C14 | H24 | 5.6° | 0.3° |
| H3 | C18 | C19 | H4 | 2.1° | 0.0° |
| H5 | C24 | C25 | H6 | 13.0° | 0.1° |
| H6 | C25 | C26 | H7 | 17.9° | 0.1° |
| H7 | C26 | C27 | H8 | 8.2° | 0.0° |
| H9 | C1 | C6 | H15 | 49.9° | 53.6° |
| H9 | C1 | C6 | H16 | 69.3° | 174.0° |
| H10 | C1 | C6 | H15 | 170.1° | 66.4° |
| H10 | C1 | C6 | H16 | 50.9° | 54.0° |
| H11 | C3 | C4 | H13 | 57.3° | 54.1° |
| H11 | C3 | C4 | H14 | 177.5° | 66.2° |
| H12 | C3 | C4 | H13 | 62.7° | 174.1° |
| H12 | C3 | C4 | H14 | 57.5° | 53.8° |
| H21 | C12 | H22 | H23 | 120.0° | 119.9° |
