5H0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N07 | sing | 1.47Å | 1.46Å | |
| N07 | C24 | sing | 1.47Å | 1.46Å | |
| N07 | C15 | sing | 1.47Å | 1.45Å | |
| C15 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N06 | sing | 1.46Å | 1.46Å | |
| C22 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | O04 | sing | 1.43Å | 1.43Å | |
| C18 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N06 | C12 | sing | 1.40Å | 1.43Å | |
| N06 | C10 | sing | 1.34Å | 1.40Å | |
| S01 | C14 | sing | 1.76Å | 1.79Å | |
| S01 | C08 | sing | 1.82Å | 1.84Å | |
| C12 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| O04 | C26 | sing | 1.36Å | 1.36Å | |
| O03 | C10 | doub | 1.21Å | 1.23Å | |
| C26 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.50Å | 1.52Å | |
| C13 | C08 | sing | 1.51Å | 1.52Å | |
| C13 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.54Å | 1.54Å | |
| C09 | O02 | sing | 1.45Å | 1.42Å | |
| C23 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| O02 | C27 | sing | 1.34Å | 1.36Å | |
| C27 | O05 | doub | 1.21Å | 1.22Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N07 | C24 | 110.5° | 111.0° |
| C25 | N07 | C15 | 110.6° | 111.0° |
| N07 | C25 | H21 | 109.5° | 109.5° |
| N07 | C25 | H22 | 109.5° | 109.4° |
| N07 | C25 | H23 | 109.5° | 109.5° |
| C24 | N07 | C15 | 110.4° | 111.0° |
| N07 | C24 | H7 | 109.5° | 109.5° |
| N07 | C24 | H8 | 109.5° | 109.4° |
| N07 | C24 | H9 | 109.4° | 109.5° |
| N07 | C15 | C11 | 110.3° | 109.5° |
| N07 | C15 | H1 | 109.3° | 109.4° |
| N07 | C15 | H2 | 109.3° | 109.5° |
| C15 | C11 | N06 | 110.6° | 109.5° |
| C11 | C15 | H1 | 109.3° | 109.4° |
| C11 | C15 | H2 | 109.3° | 109.5° |
| C15 | C11 | H15 | 109.2° | 109.5° |
| C15 | C11 | H16 | 109.2° | 109.4° |
| C11 | N06 | C12 | 118.1° | 120.0° |
| C11 | N06 | C10 | 119.1° | 120.0° |
| N06 | C11 | H15 | 109.2° | 109.5° |
| N06 | C11 | H16 | 109.2° | 109.5° |
| C18 | C22 | C26 | 120.1° | 119.9° |
| C22 | C18 | C13 | 119.7° | 120.0° |
| C18 | C22 | H6 | 119.9° | 120.0° |
| C22 | C18 | H18 | 120.1° | 120.0° |
| C22 | C26 | O04 | 119.9° | 120.0° |
| C22 | C26 | C23 | 119.9° | 119.9° |
| C26 | C22 | H6 | 120.0° | 120.0° |
| C29 | O04 | C26 | 117.4° | 117.0° |
| O04 | C29 | H24 | 109.5° | 109.5° |
| O04 | C29 | H25 | 109.5° | 109.5° |
| O04 | C29 | H26 | 109.4° | 109.5° |
| C18 | C13 | C08 | 119.7° | 119.9° |
| C18 | C13 | C19 | 120.5° | 120.2° |
| C13 | C18 | H18 | 120.1° | 120.0° |
| C12 | N06 | C10 | 122.8° | 119.9° |
| N06 | C12 | C14 | 122.6° | 119.4° |
| N06 | C12 | C16 | 118.7° | 120.6° |
| N06 | C10 | O03 | 124.2° | 119.4° |
| N06 | C10 | C09 | 115.5° | 121.1° |
| C14 | S01 | C08 | 101.4° | 102.4° |
| S01 | C14 | C12 | 123.8° | 119.4° |
| S01 | C14 | C17 | 116.5° | 120.5° |
| S01 | C08 | C13 | 110.1° | 109.8° |
| S01 | C08 | C09 | 115.0° | 107.5° |
| S01 | C08 | H13 | 103.9° | 109.9° |
| C14 | C12 | C16 | 118.7° | 120.0° |
| C12 | C14 | C17 | 119.7° | 120.0° |
| C12 | C16 | C20 | 121.0° | 119.8° |
| C12 | C16 | H17 | 119.5° | 120.2° |
| C14 | C17 | C21 | 120.5° | 119.7° |
| C14 | C17 | H3 | 119.8° | 120.1° |
| C16 | C20 | C21 | 119.9° | 120.3° |
| C16 | C20 | H4 | 120.0° | 119.9° |
| C20 | C16 | H17 | 119.5° | 120.1° |
| C17 | C21 | C20 | 120.1° | 120.3° |
| C21 | C17 | H3 | 119.7° | 120.2° |
| C17 | C21 | H5 | 120.0° | 119.9° |
| C21 | C20 | H4 | 120.1° | 119.9° |
| C20 | C21 | H5 | 119.9° | 119.8° |
| O04 | C26 | C23 | 120.2° | 120.1° |
| O03 | C10 | C09 | 120.3° | 119.5° |
| C26 | C23 | C19 | 120.1° | 119.9° |
| C26 | C23 | H20 | 119.9° | 120.0° |
| C10 | C09 | C08 | 113.2° | 110.6° |
| C10 | C09 | O02 | 108.5° | 109.3° |
| C10 | C09 | H14 | 108.4° | 109.3° |
| C08 | C13 | C19 | 119.8° | 119.9° |
| C13 | C08 | C09 | 113.5° | 109.9° |
| C13 | C08 | H13 | 106.8° | 109.8° |
| C13 | C19 | C23 | 119.7° | 120.0° |
| C13 | C19 | H19 | 120.2° | 120.0° |
| C08 | C09 | O02 | 108.6° | 109.3° |
| C09 | C08 | H13 | 106.7° | 110.0° |
| C08 | C09 | H14 | 108.2° | 109.3° |
| C09 | O02 | C27 | 115.4° | 117.0° |
| O02 | C09 | H14 | 109.8° | 109.2° |
| C23 | C19 | H19 | 120.1° | 120.0° |
| C19 | C23 | H20 | 119.9° | 120.1° |
| O02 | C27 | O05 | 125.9° | 119.9° |
| O02 | C27 | C28 | 109.8° | 120.0° |
| O05 | C27 | C28 | 124.3° | 120.0° |
| C27 | C28 | H10 | 109.5° | 109.5° |
| C27 | C28 | H11 | 109.5° | 109.5° |
| C27 | C28 | H12 | 109.5° | 109.5° |
| H1 | C15 | H2 | 109.4° | 109.5° |
| H7 | C24 | H8 | 109.4° | 109.5° |
| H7 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.4° | 109.4° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.4° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.4° |
| H24 | C29 | H26 | 109.5° | 109.4° |
| H25 | C29 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N07 | C24 | C15 | 122.6° | 124.0° |
| C25 | N07 | C15 | C11 | 159.2° | 170.0° |
| C25 | N07 | C15 | H1 | 39.1° | 70.0° |
| C25 | N07 | C15 | H2 | 80.7° | 50.0° |
| C25 | N07 | C24 | H7 | 180.0° | 60.0° |
| C25 | N07 | C24 | H8 | 60.0° | 180.0° |
| C25 | N07 | C24 | H9 | 60.0° | 60.0° |
| N07 | C25 | H21 | H22 | 120.0° | 119.9° |
| N07 | C25 | H21 | H23 | 120.0° | 120.0° |
| N07 | C25 | H22 | H23 | 120.0° | 120.0° |
| C24 | N07 | C15 | C11 | 36.7° | 66.0° |
| C24 | N07 | C15 | H1 | 83.5° | 53.9° |
| C24 | N07 | C15 | H2 | 156.8° | 173.9° |
| N07 | C24 | H7 | H8 | 120.0° | 120.0° |
| N07 | C24 | H7 | H9 | 120.0° | 120.0° |
| N07 | C24 | H8 | H9 | 120.0° | 120.0° |
| C24 | N07 | C25 | H21 | 180.0° | 64.0° |
| C24 | N07 | C25 | H22 | 60.0° | 176.1° |
| C24 | N07 | C25 | H23 | 60.0° | 56.0° |
| N07 | C15 | C11 | H1 | 120.1° | 119.9° |
| N07 | C15 | C11 | H2 | 120.1° | 120.1° |
| N07 | C15 | C11 | N06 | 166.3° | 180.0° |
| N07 | C15 | H1 | H2 | 119.6° | 120.0° |
| C15 | N07 | C24 | H7 | 57.4° | 176.0° |
| C15 | N07 | C24 | H8 | 177.4° | 56.0° |
| C15 | N07 | C24 | H9 | 62.6° | 63.9° |
| N07 | C15 | C11 | H15 | 46.1° | 59.9° |
| N07 | C15 | C11 | H16 | 73.6° | 60.0° |
| C15 | N07 | C25 | H21 | 57.5° | 60.0° |
| C15 | N07 | C25 | H22 | 62.5° | 60.0° |
| C15 | N07 | C25 | H23 | 177.6° | 180.0° |
| C15 | C11 | N06 | H15 | 120.2° | 120.1° |
| C15 | C11 | N06 | H16 | 120.2° | 120.0° |
| C15 | C11 | N06 | C12 | 56.3° | 90.0° |
| C15 | C11 | N06 | C10 | 124.1° | 90.0° |
| C11 | C15 | H1 | H2 | 119.6° | 120.0° |
| C15 | C11 | H15 | H16 | 119.5° | 119.9° |
| C11 | N06 | C12 | C10 | 179.6° | 180.0° |
| C11 | N06 | C12 | C14 | 125.3° | 129.6° |
| C11 | N06 | C12 | C16 | 55.4° | 50.8° |
| C11 | N06 | C10 | O03 | 0.4° | 10.8° |
| C11 | N06 | C10 | C09 | 179.8° | 169.5° |
| N06 | C11 | C15 | H1 | 73.6° | 60.1° |
| N06 | C11 | C15 | H2 | 46.1° | 59.9° |
| N06 | C11 | H15 | H16 | 119.5° | 120.0° |
| C18 | C22 | C26 | H6 | 180.0° | 180.0° |
| C22 | C18 | C13 | H18 | 180.0° | 180.0° |
| C18 | C22 | C26 | O04 | 179.9° | 180.0° |
| C18 | C22 | C26 | C23 | 0.0° | 0.2° |
| C22 | C18 | C13 | C08 | 179.9° | 180.0° |
| C22 | C18 | C13 | C19 | 0.0° | 0.3° |
| C22 | C26 | O04 | C29 | 45.1° | 180.0° |
| C26 | C22 | C18 | C13 | 0.1° | 0.0° |
| C22 | C26 | O04 | C23 | 179.9° | 179.8° |
| C22 | C26 | C23 | C19 | 0.1° | 0.2° |
| C26 | C22 | C18 | H18 | 180.0° | 180.0° |
| C22 | C26 | C23 | H20 | 180.0° | 180.0° |
| C29 | O04 | C26 | C23 | 135.0° | 0.2° |
| O04 | C29 | H24 | H25 | 120.0° | 120.0° |
| O04 | C29 | H24 | H26 | 120.0° | 120.1° |
| O04 | C29 | H25 | H26 | 120.0° | 120.1° |
| C18 | C13 | C08 | S01 | 36.5° | 133.3° |
| C18 | C13 | C08 | C19 | 179.9° | 179.7° |
| C18 | C13 | C08 | C09 | 94.1° | 108.7° |
| C18 | C13 | C19 | C23 | 0.0° | 0.3° |
| C13 | C18 | C22 | H6 | 179.9° | 180.0° |
| C18 | C13 | C08 | H13 | 148.7° | 12.3° |
| C18 | C13 | C19 | H19 | 180.0° | 179.7° |
| N06 | C12 | C14 | S01 | 0.7° | 1.1° |
| N06 | C12 | C14 | C16 | 179.2° | 179.6° |
| N06 | C12 | C14 | C17 | 179.7° | 179.2° |
| N06 | C12 | C16 | C20 | 179.6° | 179.4° |
| C12 | N06 | C10 | O03 | 180.0° | 169.2° |
| C12 | N06 | C10 | C09 | 0.6° | 10.5° |
| C12 | N06 | C11 | H15 | 63.9° | 30.0° |
| C12 | N06 | C11 | H16 | 176.5° | 150.0° |
| N06 | C12 | C16 | H17 | 0.4° | 0.7° |
| C10 | N06 | C12 | C14 | 55.1° | 50.4° |
| C10 | N06 | C12 | C16 | 124.2° | 129.2° |
| N06 | C10 | O03 | C09 | 179.4° | 179.7° |
| N06 | C10 | C09 | C08 | 82.4° | 90.7° |
| N06 | C10 | C09 | O02 | 156.9° | 149.0° |
| N06 | C10 | C09 | H14 | 37.7° | 29.6° |
| C10 | N06 | C11 | H15 | 115.7° | 149.9° |
| C10 | N06 | C11 | H16 | 3.9° | 30.0° |
| S01 | C14 | C12 | C17 | 179.7° | 179.7° |
| S01 | C14 | C12 | C16 | 179.9° | 179.3° |
| S01 | C14 | C17 | C21 | 180.0° | 179.5° |
| C14 | S01 | C08 | C13 | 156.5° | 160.8° |
| C14 | S01 | C08 | C09 | 26.7° | 41.3° |
| S01 | C14 | C17 | H3 | 0.0° | 0.5° |
| C14 | S01 | C08 | H13 | 89.5° | 78.3° |
| C08 | S01 | C14 | C12 | 60.8° | 73.1° |
| C08 | S01 | C14 | C17 | 119.5° | 107.2° |
| S01 | C08 | C09 | C10 | 55.1° | 42.0° |
| S01 | C08 | C13 | C09 | 130.6° | 118.0° |
| S01 | C08 | C13 | H13 | 112.2° | 120.9° |
| S01 | C08 | C13 | C19 | 143.4° | 47.0° |
| S01 | C08 | C09 | H13 | 114.6° | 119.6° |
| S01 | C08 | C09 | O02 | 175.7° | 162.3° |
| S01 | C08 | C09 | H14 | 65.1° | 78.3° |
| C14 | C12 | C16 | C20 | 0.4° | 0.2° |
| C12 | C14 | C17 | C21 | 0.3° | 0.3° |
| C12 | C14 | C17 | H3 | 179.7° | 179.7° |
| C14 | C12 | C16 | H17 | 179.7° | 179.7° |
| C16 | C12 | C14 | C17 | 0.4° | 0.4° |
| C12 | C16 | C20 | H17 | 180.0° | 179.9° |
| C12 | C16 | C20 | C21 | 0.1° | 0.0° |
| C12 | C16 | C20 | H4 | 179.9° | 180.0° |
| C14 | C17 | C21 | H3 | 180.0° | 180.0° |
| C14 | C17 | C21 | C20 | 0.0° | 0.0° |
| C14 | C17 | C21 | H5 | 180.0° | 179.9° |
| C16 | C20 | C21 | C17 | 0.1° | 0.1° |
| C16 | C20 | C21 | H4 | 180.0° | 180.0° |
| C16 | C20 | C21 | H5 | 179.9° | 179.8° |
| C17 | C21 | C20 | H5 | 180.0° | 179.9° |
| C17 | C21 | C20 | H4 | 179.9° | 179.9° |
| C20 | C21 | C17 | H3 | 180.0° | 180.0° |
| C21 | C20 | C16 | H17 | 179.9° | 180.0° |
| O04 | C26 | C23 | C19 | 179.9° | 180.0° |
| O04 | C26 | C22 | H6 | 0.1° | 0.0° |
| O04 | C26 | C23 | H20 | 0.1° | 0.2° |
| C26 | O04 | C29 | H24 | 180.0° | 60.0° |
| C26 | O04 | C29 | H25 | 60.0° | 60.0° |
| C26 | O04 | C29 | H26 | 60.0° | 180.0° |
| O03 | C10 | C09 | C08 | 97.0° | 89.0° |
| O03 | C10 | C09 | O02 | 23.7° | 31.3° |
| O03 | C10 | C09 | H14 | 142.9° | 150.7° |
| C26 | C23 | C19 | C13 | 0.1° | 0.0° |
| C26 | C23 | C19 | H20 | 180.0° | 179.8° |
| C23 | C26 | C22 | H6 | 180.0° | 179.8° |
| C26 | C23 | C19 | H19 | 179.9° | 180.0° |
| C10 | C09 | C08 | C13 | 73.0° | 77.5° |
| C10 | C09 | C08 | O02 | 120.6° | 120.3° |
| C10 | C09 | C08 | H14 | 120.2° | 120.3° |
| C10 | C09 | O02 | H14 | 118.4° | 119.5° |
| C10 | C09 | O02 | C27 | 106.0° | 90.0° |
| C10 | C09 | C08 | H13 | 169.7° | 161.6° |
| C13 | C08 | C09 | H13 | 117.3° | 120.9° |
| C13 | C08 | C09 | O02 | 47.6° | 42.8° |
| C08 | C13 | C19 | C23 | 179.8° | 180.0° |
| C13 | C08 | C09 | H14 | 166.8° | 162.2° |
| C08 | C13 | C18 | H18 | 0.1° | 0.1° |
| C08 | C13 | C19 | H19 | 0.2° | 0.0° |
| C19 | C13 | C08 | C09 | 86.0° | 71.0° |
| C13 | C19 | C23 | H19 | 180.0° | 180.0° |
| C19 | C13 | C08 | H13 | 31.2° | 168.0° |
| C19 | C13 | C18 | H18 | 180.0° | 179.8° |
| C13 | C19 | C23 | H20 | 179.9° | 179.7° |
| C08 | C09 | O02 | H14 | 118.2° | 119.4° |
| C08 | C09 | O02 | C27 | 130.5° | 148.9° |
| C09 | O02 | C27 | O05 | 27.5° | 0.0° |
| C09 | O02 | C27 | C28 | 152.6° | 180.0° |
| O02 | C09 | C08 | H13 | 69.7° | 78.1° |
| O02 | C27 | O05 | C28 | 180.0° | 180.0° |
| O02 | C27 | C28 | H10 | 180.0° | 180.0° |
| O02 | C27 | C28 | H11 | 60.0° | 60.0° |
| O02 | C27 | C28 | H12 | 60.0° | 60.0° |
| C27 | O02 | C09 | H14 | 12.3° | 29.5° |
| O05 | C27 | C28 | H10 | 0.0° | 0.0° |
| O05 | C27 | C28 | H11 | 120.0° | 120.0° |
| O05 | C27 | C28 | H12 | 120.0° | 120.0° |
| C27 | C28 | H10 | H11 | 120.0° | 120.0° |
| C27 | C28 | H10 | H12 | 120.0° | 120.0° |
| C27 | C28 | H11 | H12 | 120.0° | 120.0° |
| H1 | C15 | C11 | H15 | 166.2° | 60.0° |
| H1 | C15 | C11 | H16 | 46.6° | 179.9° |
| H2 | C15 | C11 | H15 | 74.1° | 180.0° |
| H2 | C15 | C11 | H16 | 166.3° | 60.1° |
| H3 | C17 | C21 | H5 | 0.0° | 0.1° |
| H4 | C20 | C21 | H5 | 0.1° | 0.2° |
| H4 | C20 | C16 | H17 | 0.1° | 0.0° |
| H6 | C22 | C18 | H18 | 0.0° | 0.0° |
| H7 | C24 | H8 | H9 | 120.0° | 120.1° |
| H10 | C28 | H11 | H12 | 120.0° | 120.0° |
| H13 | C08 | C09 | H14 | 49.5° | 41.3° |
| H19 | C19 | C23 | H20 | 0.1° | 0.2° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H24 | C29 | H25 | H26 | 120.0° | 119.9° |
