A1LVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL02 | C33 | sing | 1.74Å | 1.78Å | |
| C29 | C33 | doub | 1.36Å | 1.39Å | Aromatic |
| C29 | C21 | sing | 1.41Å | 1.38Å | Aromatic |
| C33 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | C21 | sing | 1.34Å | 1.35Å | Aromatic |
| N10 | C27 | doub | 1.31Å | 1.35Å | Aromatic |
| C21 | C19 | doub | 1.42Å | 1.38Å | Aromatic |
| C31 | C25 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.41Å | 1.36Å | Aromatic |
| C23 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C17 | N08 | sing | 1.39Å | 1.45Å | |
| N08 | C14 | sing | 1.46Å | 1.45Å | |
| C15 | N06 | sing | 1.47Å | 1.45Å | |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| N06 | C12 | sing | 1.47Å | 1.45Å | |
| N06 | C11 | sing | 1.47Å | 1.45Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | N07 | sing | 1.47Å | 1.45Å | |
| N07 | C16 | sing | 1.39Å | 1.45Å | |
| C16 | C22 | doub | 1.39Å | 1.35Å | Aromatic |
| C16 | C18 | sing | 1.41Å | 1.36Å | Aromatic |
| C24 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C30 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N09 | doub | 1.31Å | 1.35Å | Aromatic |
| C20 | N09 | sing | 1.34Å | 1.35Å | Aromatic |
| C20 | C28 | doub | 1.41Å | 1.39Å | Aromatic |
| C32 | C28 | sing | 1.36Å | 1.39Å | Aromatic |
| C32 | CL01 | sing | 1.74Å | 1.78Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| N07 | H23 | sing | 0.97Å | 1.00Å | |
| N08 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL02 | C33 | C29 | 119.8° | 119.5° |
| CL02 | C33 | C31 | 120.0° | 119.5° |
| C33 | C29 | C21 | 119.6° | 119.8° |
| C29 | C33 | C31 | 120.2° | 121.0° |
| C33 | C29 | H20 | 120.2° | 120.1° |
| C29 | C21 | N10 | 119.3° | 120.9° |
| C29 | C21 | C19 | 120.4° | 119.1° |
| C21 | C29 | H20 | 120.2° | 120.1° |
| C33 | C31 | C25 | 120.1° | 120.8° |
| C33 | C31 | H19 | 120.0° | 119.6° |
| C21 | N10 | C27 | 119.8° | 121.6° |
| N10 | C21 | C19 | 120.4° | 120.0° |
| N10 | C27 | C23 | 120.2° | 121.9° |
| N10 | C27 | H17 | 119.9° | 119.0° |
| C21 | C19 | C25 | 120.1° | 119.7° |
| C21 | C19 | C17 | 120.0° | 118.9° |
| C31 | C25 | C19 | 119.7° | 119.7° |
| C31 | C25 | H15 | 120.2° | 120.1° |
| C25 | C31 | H19 | 119.9° | 119.6° |
| C27 | C23 | C17 | 119.9° | 119.7° |
| C27 | C23 | H13 | 120.0° | 120.1° |
| C23 | C27 | H17 | 119.9° | 119.1° |
| C25 | C19 | C17 | 120.0° | 121.4° |
| C19 | C25 | H15 | 120.1° | 120.2° |
| C19 | C17 | C23 | 119.8° | 117.9° |
| C19 | C17 | N08 | 119.8° | 121.0° |
| C23 | C17 | N08 | 120.4° | 121.0° |
| C17 | C23 | H13 | 120.1° | 120.2° |
| C17 | N08 | C14 | 119.4° | 120.0° |
| C17 | N08 | H24 | 107.0° | 120.0° |
| N08 | C14 | C12 | 109.0° | 109.4° |
| N08 | C14 | H7 | 109.6° | 109.5° |
| N08 | C14 | H8 | 109.6° | 109.5° |
| C14 | N08 | H24 | 106.9° | 120.0° |
| C15 | N06 | C12 | 109.7° | 111.0° |
| C15 | N06 | C11 | 109.7° | 111.0° |
| N06 | C15 | H9 | 109.5° | 109.5° |
| N06 | C15 | H10 | 109.5° | 109.5° |
| N06 | C15 | H11 | 109.5° | 109.5° |
| C14 | C12 | N06 | 109.2° | 109.5° |
| C14 | C12 | H3 | 109.5° | 109.5° |
| C14 | C12 | H4 | 109.6° | 109.5° |
| C12 | C14 | H7 | 109.6° | 109.5° |
| C12 | C14 | H8 | 109.6° | 109.4° |
| C12 | N06 | C11 | 109.2° | 111.0° |
| N06 | C12 | H3 | 109.5° | 109.5° |
| N06 | C12 | H4 | 109.5° | 109.4° |
| N06 | C11 | C13 | 109.2° | 109.5° |
| N06 | C11 | H1 | 109.6° | 109.5° |
| N06 | C11 | H2 | 109.6° | 109.5° |
| C11 | C13 | N07 | 109.5° | 109.5° |
| C13 | C11 | H1 | 109.5° | 109.5° |
| C13 | C11 | H2 | 109.5° | 109.5° |
| C11 | C13 | H5 | 109.5° | 109.5° |
| C11 | C13 | H6 | 109.5° | 109.5° |
| C13 | N07 | C16 | 119.8° | 120.0° |
| N07 | C13 | H5 | 109.5° | 109.4° |
| N07 | C13 | H6 | 109.5° | 109.5° |
| C13 | N07 | H23 | 106.9° | 120.0° |
| N07 | C16 | C22 | 120.3° | 121.0° |
| N07 | C16 | C18 | 119.7° | 121.1° |
| C16 | N07 | H23 | 106.8° | 120.0° |
| C22 | C16 | C18 | 119.9° | 117.9° |
| C16 | C22 | C26 | 119.9° | 119.7° |
| C16 | C22 | H12 | 120.0° | 120.2° |
| C16 | C18 | C24 | 119.9° | 121.3° |
| C16 | C18 | C20 | 120.0° | 118.9° |
| C18 | C24 | C30 | 120.0° | 119.7° |
| C24 | C18 | C20 | 120.1° | 119.7° |
| C18 | C24 | H14 | 120.0° | 120.2° |
| C24 | C30 | C32 | 119.9° | 120.8° |
| C30 | C24 | H14 | 120.0° | 120.2° |
| C24 | C30 | H21 | 120.0° | 119.6° |
| C22 | C26 | N09 | 120.0° | 121.9° |
| C26 | C22 | H12 | 120.1° | 120.2° |
| C22 | C26 | H16 | 120.0° | 119.1° |
| C18 | C20 | N09 | 120.0° | 120.0° |
| C18 | C20 | C28 | 119.9° | 119.1° |
| C30 | C32 | C28 | 120.1° | 121.0° |
| C30 | C32 | CL01 | 119.9° | 119.5° |
| C32 | C30 | H21 | 120.0° | 119.6° |
| C26 | N09 | C20 | 120.2° | 121.6° |
| N09 | C26 | H16 | 120.0° | 119.0° |
| N09 | C20 | C28 | 120.1° | 120.9° |
| C20 | C28 | C32 | 120.0° | 119.7° |
| C20 | C28 | H18 | 120.0° | 120.1° |
| C28 | C32 | CL01 | 120.1° | 119.5° |
| C32 | C28 | H18 | 120.0° | 120.1° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL02 | C33 | C29 | C31 | 179.9° | 179.3° |
| CL02 | C33 | C29 | C21 | 180.0° | 180.0° |
| CL02 | C33 | C31 | C25 | 180.0° | 179.7° |
| CL02 | C33 | C31 | H19 | 0.1° | 0.2° |
| CL02 | C33 | C29 | H20 | 0.0° | 0.7° |
| C33 | C29 | C21 | H20 | 180.0° | 179.3° |
| C33 | C29 | C21 | N10 | 179.9° | 179.6° |
| C33 | C29 | C21 | C19 | 0.0° | 0.5° |
| C29 | C33 | C31 | C25 | 0.0° | 0.4° |
| C29 | C33 | C31 | H19 | 180.0° | 179.5° |
| C21 | C29 | C33 | C31 | 0.1° | 0.7° |
| C29 | C21 | N10 | C19 | 180.0° | 179.9° |
| C29 | C21 | N10 | C27 | 180.0° | 180.0° |
| C29 | C21 | C19 | C25 | 0.0° | 0.1° |
| C29 | C21 | C19 | C17 | 179.9° | 179.7° |
| C33 | C31 | C25 | H19 | 180.0° | 180.0° |
| C33 | C31 | C25 | C19 | 0.0° | 0.0° |
| C33 | C31 | C25 | H15 | 180.0° | 180.0° |
| C31 | C33 | C29 | H20 | 179.9° | 180.0° |
| C21 | N10 | C27 | C23 | 0.0° | 0.3° |
| N10 | C21 | C19 | C25 | 180.0° | 179.9° |
| N10 | C21 | C19 | C17 | 0.1° | 0.1° |
| C21 | N10 | C27 | H17 | 180.0° | 179.9° |
| N10 | C21 | C29 | H20 | 0.1° | 0.4° |
| C27 | N10 | C21 | C19 | 0.0° | 0.1° |
| N10 | C27 | C23 | H17 | 180.0° | 179.8° |
| N10 | C27 | C23 | C17 | 0.0° | 0.2° |
| N10 | C27 | C23 | H13 | 180.0° | 179.7° |
| C21 | C19 | C25 | C31 | 0.0° | 0.2° |
| C21 | C19 | C25 | C17 | 179.9° | 179.8° |
| C21 | C19 | C17 | C23 | 0.1° | 0.2° |
| C21 | C19 | C17 | N08 | 180.0° | 179.8° |
| C21 | C19 | C25 | H15 | 180.0° | 179.8° |
| C19 | C21 | C29 | H20 | 180.0° | 179.8° |
| C31 | C25 | C19 | H15 | 180.0° | 180.0° |
| C31 | C25 | C19 | C17 | 180.0° | 180.0° |
| C27 | C23 | C17 | C19 | 0.0° | 0.1° |
| C27 | C23 | C17 | H13 | 180.0° | 179.9° |
| C27 | C23 | C17 | N08 | 179.9° | 180.0° |
| C25 | C19 | C17 | C23 | 180.0° | 180.0° |
| C25 | C19 | C17 | N08 | 0.1° | 0.0° |
| C19 | C25 | C31 | H19 | 179.9° | 180.0° |
| C19 | C17 | C23 | N08 | 179.9° | 179.9° |
| C19 | C17 | N08 | C14 | 87.6° | 180.0° |
| C19 | C17 | C23 | H13 | 180.0° | 180.0° |
| C17 | C19 | C25 | H15 | 0.0° | 0.0° |
| C19 | C17 | N08 | H24 | 33.8° | 0.0° |
| C23 | C17 | N08 | C14 | 92.3° | 0.0° |
| C17 | C23 | C27 | H17 | 180.0° | 180.0° |
| C23 | C17 | N08 | H24 | 146.3° | 179.9° |
| C17 | N08 | C14 | H24 | 121.4° | 179.9° |
| C17 | N08 | C14 | C12 | 129.8° | 180.0° |
| C17 | N08 | C14 | H7 | 110.3° | 60.0° |
| C17 | N08 | C14 | H8 | 9.9° | 60.1° |
| N08 | C17 | C23 | H13 | 0.1° | 0.1° |
| N08 | C14 | C12 | H7 | 119.9° | 120.1° |
| N08 | C14 | C12 | H8 | 119.9° | 119.9° |
| N08 | C14 | C12 | N06 | 132.4° | 180.0° |
| N08 | C14 | C12 | H3 | 12.5° | 60.0° |
| N08 | C14 | C12 | H4 | 107.7° | 60.0° |
| N08 | C14 | H7 | H8 | 120.2° | 120.1° |
| C15 | N06 | C12 | C14 | 22.0° | 66.1° |
| C15 | N06 | C12 | C11 | 120.3° | 123.9° |
| C15 | N06 | C11 | C13 | 175.2° | 66.1° |
| C15 | N06 | C11 | H1 | 55.3° | 173.9° |
| C15 | N06 | C11 | H2 | 64.9° | 54.0° |
| C15 | N06 | C12 | H3 | 97.9° | 53.9° |
| C15 | N06 | C12 | H4 | 142.0° | 173.9° |
| N06 | C15 | H9 | H10 | 120.0° | 120.1° |
| N06 | C15 | H9 | H11 | 120.0° | 120.0° |
| N06 | C15 | H10 | H11 | 120.0° | 120.0° |
| C14 | C12 | N06 | H3 | 119.9° | 120.0° |
| C14 | C12 | N06 | H4 | 120.0° | 120.0° |
| C14 | C12 | N06 | C11 | 98.3° | 170.0° |
| C14 | C12 | H3 | H4 | 120.2° | 120.0° |
| C12 | C14 | H7 | H8 | 120.2° | 119.9° |
| C12 | C14 | N08 | H24 | 8.4° | 0.1° |
| C12 | N06 | C11 | C13 | 54.9° | 170.0° |
| C12 | N06 | C11 | H1 | 65.1° | 50.0° |
| C12 | N06 | C11 | H2 | 174.8° | 70.0° |
| N06 | C12 | H3 | H4 | 120.1° | 120.0° |
| N06 | C12 | C14 | H7 | 107.7° | 60.0° |
| N06 | C12 | C14 | H8 | 12.4° | 60.0° |
| C12 | N06 | C15 | H9 | 180.0° | 59.9° |
| C12 | N06 | C15 | H10 | 60.0° | 180.0° |
| C12 | N06 | C15 | H11 | 60.0° | 60.0° |
| N06 | C11 | C13 | H1 | 120.0° | 120.0° |
| N06 | C11 | C13 | H2 | 120.0° | 120.0° |
| N06 | C11 | C13 | N07 | 120.0° | 180.0° |
| N06 | C11 | H1 | H2 | 120.2° | 120.0° |
| C11 | N06 | C12 | H3 | 141.8° | 70.0° |
| C11 | N06 | C12 | H4 | 21.7° | 50.0° |
| N06 | C11 | C13 | H5 | 120.0° | 60.0° |
| N06 | C11 | C13 | H6 | 0.0° | 60.0° |
| C11 | N06 | C15 | H9 | 59.9° | 64.0° |
| C11 | N06 | C15 | H10 | 60.0° | 56.0° |
| C11 | N06 | C15 | H11 | 180.0° | 176.0° |
| C11 | C13 | N07 | H5 | 120.0° | 120.0° |
| C11 | C13 | N07 | H6 | 120.0° | 120.0° |
| C11 | C13 | N07 | C16 | 141.6° | 180.0° |
| C13 | C11 | H1 | H2 | 120.1° | 120.0° |
| C11 | C13 | H5 | H6 | 120.0° | 120.0° |
| C11 | C13 | N07 | H23 | 96.9° | 0.0° |
| C13 | N07 | C16 | H23 | 121.5° | 179.9° |
| C13 | N07 | C16 | C22 | 93.8° | 0.1° |
| C13 | N07 | C16 | C18 | 86.2° | 179.7° |
| N07 | C13 | C11 | H1 | 0.1° | 60.0° |
| N07 | C13 | C11 | H2 | 120.0° | 60.0° |
| N07 | C13 | H5 | H6 | 120.0° | 120.0° |
| N07 | C16 | C22 | C18 | 180.0° | 179.8° |
| N07 | C16 | C18 | C24 | 0.1° | 0.3° |
| N07 | C16 | C22 | C26 | 180.0° | 179.8° |
| N07 | C16 | C18 | C20 | 180.0° | 179.8° |
| C16 | N07 | C13 | H5 | 21.6° | 60.0° |
| C16 | N07 | C13 | H6 | 98.4° | 59.9° |
| N07 | C16 | C22 | H12 | 0.0° | 0.3° |
| C22 | C16 | C18 | C24 | 179.9° | 180.0° |
| C16 | C22 | C26 | H12 | 180.0° | 180.0° |
| C22 | C16 | C18 | C20 | 0.0° | 0.0° |
| C16 | C22 | C26 | N09 | 0.1° | 0.0° |
| C16 | C22 | C26 | H16 | 179.9° | 179.9° |
| C22 | C16 | N07 | H23 | 27.7° | 180.0° |
| C16 | C18 | C24 | C20 | 179.9° | 180.0° |
| C16 | C18 | C24 | C30 | 180.0° | 179.9° |
| C18 | C16 | C22 | C26 | 0.0° | 0.0° |
| C16 | C18 | C20 | N09 | 0.0° | 0.0° |
| C16 | C18 | C20 | C28 | 180.0° | 180.0° |
| C18 | C16 | C22 | H12 | 180.0° | 180.0° |
| C16 | C18 | C24 | H14 | 0.0° | 0.0° |
| C18 | C16 | N07 | H23 | 152.3° | 0.2° |
| C18 | C24 | C30 | H14 | 180.0° | 180.0° |
| C18 | C24 | C30 | C32 | 0.1° | 0.1° |
| C24 | C18 | C20 | N09 | 179.9° | 180.0° |
| C24 | C18 | C20 | C28 | 0.1° | 0.0° |
| C18 | C24 | C30 | H21 | 179.9° | 180.0° |
| C30 | C24 | C18 | C20 | 0.1° | 0.0° |
| C24 | C30 | C32 | H21 | 180.0° | 179.9° |
| C24 | C30 | C32 | C28 | 0.1° | 0.2° |
| C24 | C30 | C32 | CL01 | 180.0° | 180.0° |
| C22 | C26 | N09 | H16 | 180.0° | 179.9° |
| C22 | C26 | N09 | C20 | 0.1° | 0.0° |
| C18 | C20 | N09 | C26 | 0.1° | 0.0° |
| C18 | C20 | N09 | C28 | 179.9° | 180.0° |
| C18 | C20 | C28 | C32 | 0.0° | 0.0° |
| C20 | C18 | C24 | H14 | 179.9° | 180.0° |
| C18 | C20 | C28 | H18 | 180.0° | 180.0° |
| C30 | C32 | C28 | C20 | 0.0° | 0.1° |
| C30 | C32 | C28 | CL01 | 180.0° | 179.8° |
| C32 | C30 | C24 | H14 | 179.9° | 179.9° |
| C30 | C32 | C28 | H18 | 180.0° | 179.9° |
| C26 | N09 | C20 | C28 | 180.0° | 180.0° |
| N09 | C26 | C22 | H12 | 179.9° | 180.0° |
| N09 | C20 | C28 | C32 | 179.9° | 180.0° |
| C20 | N09 | C26 | H16 | 179.9° | 179.9° |
| N09 | C20 | C28 | H18 | 0.1° | 0.0° |
| C20 | C28 | C32 | H18 | 180.0° | 180.0° |
| C20 | C28 | C32 | CL01 | 180.0° | 180.0° |
| C28 | C32 | C30 | H21 | 180.0° | 180.0° |
| CL01 | C32 | C28 | H18 | 0.0° | 0.1° |
| CL01 | C32 | C30 | H21 | 0.0° | 0.1° |
| H1 | C11 | C13 | H5 | 120.1° | 60.0° |
| H1 | C11 | C13 | H6 | 119.9° | 180.0° |
| H2 | C11 | C13 | H5 | 0.0° | 180.0° |
| H2 | C11 | C13 | H6 | 120.0° | 60.0° |
| H3 | C12 | C14 | H7 | 132.4° | 60.0° |
| H3 | C12 | C14 | H8 | 107.5° | 180.0° |
| H4 | C12 | C14 | H7 | 12.3° | 179.9° |
| H4 | C12 | C14 | H8 | 132.4° | 59.9° |
| H5 | C13 | N07 | H23 | 143.0° | 120.1° |
| H6 | C13 | N07 | H23 | 23.0° | 120.0° |
| H7 | C14 | N08 | H24 | 128.3° | 119.9° |
| H8 | C14 | N08 | H24 | 111.6° | 120.0° |
| H9 | C15 | H10 | H11 | 120.0° | 119.9° |
| H12 | C22 | C26 | H16 | 0.1° | 0.0° |
| H13 | C23 | C27 | H17 | 0.0° | 0.1° |
| H14 | C24 | C30 | H21 | 0.1° | 0.0° |
| H15 | C25 | C31 | H19 | 0.0° | 0.0° |
