A1LV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C18 | sing | 1.74Å | 1.74Å | |
| C18 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.41Å | |
| N14 | C13 | sing | 1.38Å | 1.38Å | |
| C13 | N12 | sing | 1.38Å | 1.38Å | |
| C13 | N22 | doub | 1.30Å | 1.29Å | |
| N12 | C11 | sing | 1.38Å | 1.38Å | |
| C11 | N23 | doub | 1.30Å | 1.29Å | |
| C11 | N10 | sing | 1.37Å | 1.33Å | |
| N10 | C9 | sing | 1.46Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| CL2 | C29 | sing | 1.74Å | 1.74Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | N25 | sing | 1.40Å | 1.41Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N5 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N25 | C2 | sing | 1.38Å | 1.37Å | |
| C2 | N3 | sing | 1.38Å | 1.37Å | |
| C2 | N1 | doub | 1.30Å | 1.30Å | |
| N3 | C4 | sing | 1.38Å | 1.38Å | |
| N5 | C4 | sing | 1.38Å | 1.33Å | |
| C4 | N24 | doub | 1.30Å | 1.29Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N5 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| N22 | H19 | sing | 0.97Å | 1.00Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å | |
| N24 | H21 | sing | 0.97Å | 1.00Å | |
| N25 | H22 | sing | 0.97Å | 1.00Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C18 | C20 | 119.3° | 119.9° |
| CL1 | C18 | C17 | 119.3° | 120.0° |
| C20 | C18 | C17 | 121.4° | 120.1° |
| C18 | C20 | C21 | 119.3° | 120.0° |
| C18 | C20 | H17 | 120.3° | 120.0° |
| C18 | C17 | C16 | 119.3° | 120.1° |
| C18 | C17 | H16 | 120.4° | 120.0° |
| C20 | C21 | C15 | 120.4° | 119.9° |
| C21 | C20 | H17 | 120.4° | 120.0° |
| C20 | C21 | H18 | 119.8° | 120.0° |
| C17 | C16 | C15 | 120.4° | 119.9° |
| C17 | C16 | H15 | 119.8° | 120.0° |
| C16 | C17 | H16 | 120.4° | 119.9° |
| C21 | C15 | C16 | 119.2° | 119.9° |
| C21 | C15 | N14 | 116.2° | 120.0° |
| C15 | C21 | H18 | 119.8° | 120.0° |
| C16 | C15 | N14 | 124.5° | 120.1° |
| C15 | C16 | H15 | 119.8° | 120.0° |
| C15 | N14 | C13 | 131.8° | 120.1° |
| C15 | N14 | H14 | 114.1° | 120.0° |
| N14 | C13 | N12 | 118.6° | 120.0° |
| N14 | C13 | N22 | 122.1° | 120.0° |
| C13 | N14 | H14 | 114.1° | 120.0° |
| N12 | C13 | N22 | 118.5° | 120.0° |
| C13 | N12 | C11 | 127.8° | 120.0° |
| C13 | N12 | H13 | 116.1° | 120.0° |
| C13 | N22 | H19 | 112.0° | 120.0° |
| N12 | C11 | N23 | 122.8° | 119.9° |
| N12 | C11 | N10 | 119.1° | 120.0° |
| C11 | N12 | H13 | 116.1° | 120.0° |
| N23 | C11 | N10 | 117.7° | 120.1° |
| C11 | N23 | H20 | 112.0° | 120.0° |
| C11 | N10 | C9 | 125.4° | 120.0° |
| C11 | N10 | H12 | 117.3° | 120.0° |
| N10 | C9 | C8 | 109.0° | 109.5° |
| N10 | C9 | H10 | 109.6° | 109.4° |
| N10 | C9 | H11 | 109.6° | 109.5° |
| C9 | N10 | H12 | 117.3° | 120.0° |
| C9 | C8 | C7 | 115.9° | 109.5° |
| C9 | C8 | H8 | 107.8° | 109.5° |
| C9 | C8 | H9 | 107.8° | 109.5° |
| C8 | C9 | H10 | 109.6° | 109.5° |
| C8 | C9 | H11 | 109.6° | 109.5° |
| C8 | C7 | C6 | 114.4° | 109.5° |
| C8 | C7 | H6 | 108.2° | 109.4° |
| C8 | C7 | H7 | 108.2° | 109.4° |
| C7 | C8 | H8 | 107.8° | 109.5° |
| C7 | C8 | H9 | 107.8° | 109.4° |
| C7 | C6 | N5 | 110.9° | 109.4° |
| C7 | C6 | H4 | 109.1° | 109.5° |
| C7 | C6 | H5 | 109.1° | 109.5° |
| C6 | C7 | H6 | 108.2° | 109.5° |
| C6 | C7 | H7 | 108.2° | 109.5° |
| C32 | C31 | C29 | 119.3° | 120.0° |
| C31 | C32 | C26 | 120.4° | 120.0° |
| C32 | C31 | H25 | 120.3° | 119.9° |
| C31 | C32 | H26 | 119.8° | 120.0° |
| C31 | C29 | CL2 | 119.2° | 119.9° |
| C31 | C29 | C28 | 121.5° | 120.1° |
| C29 | C31 | H25 | 120.3° | 120.0° |
| C32 | C26 | N25 | 113.9° | 120.1° |
| C32 | C26 | C27 | 119.3° | 119.9° |
| C26 | C32 | H26 | 119.8° | 120.0° |
| CL2 | C29 | C28 | 119.3° | 120.0° |
| C29 | C28 | C27 | 119.2° | 120.1° |
| C29 | C28 | H24 | 120.4° | 119.9° |
| N25 | C26 | C27 | 125.9° | 120.0° |
| C26 | N25 | C2 | 131.7° | 120.0° |
| C26 | N25 | H22 | 114.1° | 120.0° |
| C26 | C27 | C28 | 120.3° | 119.9° |
| C26 | C27 | H23 | 119.8° | 120.1° |
| C6 | N5 | C4 | 124.9° | 120.0° |
| C6 | N5 | H3 | 117.6° | 120.0° |
| N5 | C6 | H4 | 109.1° | 109.5° |
| N5 | C6 | H5 | 109.1° | 109.4° |
| C28 | C27 | H23 | 119.8° | 120.0° |
| C27 | C28 | H24 | 120.4° | 120.0° |
| N25 | C2 | N3 | 119.7° | 120.0° |
| N25 | C2 | N1 | 117.9° | 120.0° |
| C2 | N25 | H22 | 114.1° | 120.0° |
| N3 | C2 | N1 | 122.2° | 120.1° |
| C2 | N3 | C4 | 126.6° | 120.0° |
| C2 | N3 | H2 | 116.7° | 119.9° |
| C2 | N1 | H1 | 112.0° | 120.0° |
| N3 | C4 | N5 | 119.0° | 120.0° |
| N3 | C4 | N24 | 119.2° | 120.0° |
| C4 | N3 | H2 | 116.7° | 120.0° |
| N5 | C4 | N24 | 121.6° | 120.0° |
| C4 | N5 | H3 | 117.5° | 120.0° |
| C4 | N24 | H21 | 112.0° | 120.0° |
| H4 | C6 | H5 | 109.4° | 109.5° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C18 | C20 | C17 | 179.8° | 179.8° |
| CL1 | C18 | C20 | C21 | 179.8° | 179.9° |
| CL1 | C18 | C17 | C16 | 179.7° | 179.8° |
| CL1 | C18 | C17 | H16 | 0.3° | 0.2° |
| CL1 | C18 | C20 | H17 | 0.2° | 0.2° |
| C18 | C20 | C21 | H17 | 180.0° | 179.7° |
| C20 | C18 | C17 | C16 | 0.0° | 0.0° |
| C18 | C20 | C21 | C15 | 0.1° | 0.6° |
| C20 | C18 | C17 | H16 | 179.9° | 180.0° |
| C18 | C20 | C21 | H18 | 179.9° | 180.0° |
| C17 | C18 | C20 | C21 | 0.1° | 0.3° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H15 | 179.9° | 179.9° |
| C17 | C18 | C20 | H17 | 179.9° | 180.0° |
| C20 | C21 | C15 | H18 | 180.0° | 179.4° |
| C20 | C21 | C15 | C16 | 0.0° | 0.6° |
| C20 | C21 | C15 | N14 | 176.3° | 179.7° |
| C17 | C16 | C15 | C21 | 0.1° | 0.3° |
| C17 | C16 | C15 | H15 | 180.0° | 179.9° |
| C17 | C16 | C15 | N14 | 176.0° | 180.0° |
| C21 | C15 | C16 | N14 | 175.9° | 179.7° |
| C21 | C15 | N14 | C13 | 171.6° | 36.8° |
| C21 | C15 | N14 | H14 | 8.4° | 143.3° |
| C21 | C15 | C16 | H15 | 179.9° | 179.8° |
| C15 | C21 | C20 | H17 | 179.9° | 179.7° |
| C16 | C15 | N14 | C13 | 12.4° | 143.5° |
| C16 | C15 | N14 | H14 | 167.6° | 36.4° |
| C15 | C16 | C17 | H16 | 179.9° | 180.0° |
| C16 | C15 | C21 | H18 | 180.0° | 180.0° |
| C15 | N14 | C13 | H14 | 180.0° | 179.9° |
| C15 | N14 | C13 | N12 | 12.7° | 173.9° |
| C15 | N14 | C13 | N22 | 177.7° | 6.0° |
| N14 | C15 | C16 | H15 | 4.0° | 0.1° |
| N14 | C15 | C21 | H18 | 3.7° | 0.3° |
| N14 | C13 | N12 | N22 | 170.0° | 180.0° |
| N14 | C13 | N12 | C11 | 167.1° | 6.3° |
| N14 | C13 | N12 | H13 | 12.9° | 173.8° |
| N14 | C13 | N22 | H19 | 169.6° | 175.0° |
| C13 | N12 | C11 | H13 | 180.0° | 180.0° |
| C13 | N12 | C11 | N23 | 17.5° | 6.3° |
| C13 | N12 | C11 | N10 | 169.0° | 173.7° |
| N12 | C13 | N14 | H14 | 167.3° | 6.0° |
| N12 | C13 | N22 | H19 | 0.0° | 5.0° |
| N22 | C13 | N12 | C11 | 22.9° | 173.7° |
| N22 | C13 | N12 | H13 | 157.1° | 6.2° |
| N22 | C13 | N14 | H14 | 2.3° | 174.1° |
| N12 | C11 | N23 | N10 | 173.6° | 180.0° |
| N12 | C11 | N10 | C9 | 16.5° | 180.0° |
| N12 | C11 | N10 | H12 | 163.5° | 0.0° |
| N12 | C11 | N23 | H20 | 173.6° | 180.0° |
| N23 | C11 | N10 | C9 | 169.6° | 0.0° |
| N23 | C11 | N10 | H12 | 10.4° | 180.0° |
| N23 | C11 | N12 | H13 | 162.5° | 173.7° |
| C11 | N10 | C9 | H12 | 180.0° | 180.0° |
| C11 | N10 | C9 | C8 | 76.6° | 180.0° |
| C11 | N10 | C9 | H10 | 163.5° | 60.0° |
| C11 | N10 | C9 | H11 | 43.4° | 59.9° |
| N10 | C11 | N12 | H13 | 11.0° | 6.3° |
| N10 | C11 | N23 | H20 | 0.0° | 0.0° |
| N10 | C9 | C8 | H10 | 119.9° | 120.0° |
| N10 | C9 | C8 | H11 | 119.9° | 120.0° |
| N10 | C9 | C8 | C7 | 140.1° | 180.0° |
| N10 | C9 | C8 | H8 | 98.9° | 60.0° |
| N10 | C9 | C8 | H9 | 19.2° | 60.0° |
| N10 | C9 | H10 | H11 | 120.2° | 120.0° |
| C9 | C8 | C7 | H8 | 120.9° | 120.0° |
| C9 | C8 | C7 | H9 | 120.9° | 120.0° |
| C9 | C8 | C7 | C6 | 178.6° | 180.0° |
| C9 | C8 | C7 | H6 | 60.7° | 60.0° |
| C9 | C8 | C7 | H7 | 57.8° | 60.0° |
| C9 | C8 | H8 | H9 | 117.1° | 120.0° |
| C8 | C9 | H10 | H11 | 120.2° | 120.0° |
| C8 | C9 | N10 | H12 | 103.4° | 0.0° |
| C8 | C7 | C6 | H6 | 120.7° | 120.0° |
| C8 | C7 | C6 | H7 | 120.7° | 119.9° |
| C8 | C7 | C6 | N5 | 88.9° | 180.0° |
| C8 | C7 | C6 | H4 | 150.9° | 60.0° |
| C8 | C7 | C6 | H5 | 31.4° | 60.1° |
| C8 | C7 | H6 | H7 | 117.7° | 119.9° |
| C7 | C8 | H8 | H9 | 117.1° | 119.9° |
| C7 | C8 | C9 | H10 | 20.2° | 60.0° |
| C7 | C8 | C9 | H11 | 99.9° | 60.0° |
| C7 | C6 | N5 | H4 | 120.2° | 120.1° |
| C7 | C6 | N5 | H5 | 120.2° | 119.9° |
| C7 | C6 | N5 | C4 | 78.1° | 179.9° |
| C7 | C6 | N5 | H3 | 101.9° | 0.0° |
| C7 | C6 | H4 | H5 | 119.3° | 120.1° |
| C6 | C7 | H6 | H7 | 117.8° | 120.0° |
| C6 | C7 | C8 | H8 | 57.6° | 59.9° |
| C6 | C7 | C8 | H9 | 60.5° | 60.0° |
| C32 | C31 | C29 | H25 | 180.0° | 179.5° |
| C31 | C32 | C26 | H26 | 180.0° | 179.5° |
| C32 | C31 | C29 | CL2 | 178.5° | 179.8° |
| C32 | C31 | C29 | C28 | 0.2° | 0.2° |
| C31 | C32 | C26 | N25 | 169.4° | 179.8° |
| C31 | C32 | C26 | C27 | 0.3° | 0.5° |
| C29 | C31 | C32 | C26 | 0.2° | 0.4° |
| C31 | C29 | CL2 | C28 | 178.7° | 180.0° |
| C31 | C29 | C28 | C27 | 0.2° | 0.0° |
| C31 | C29 | C28 | H24 | 179.8° | 180.0° |
| C29 | C31 | C32 | H26 | 179.8° | 180.0° |
| C32 | C26 | N25 | C27 | 168.9° | 179.7° |
| C32 | C26 | C27 | C28 | 0.3° | 0.3° |
| C32 | C26 | N25 | C2 | 167.6° | 36.7° |
| C32 | C26 | N25 | H22 | 12.4° | 143.3° |
| C32 | C26 | C27 | H23 | 179.7° | 179.8° |
| C26 | C32 | C31 | H25 | 179.8° | 180.0° |
| CL2 | C29 | C28 | C27 | 178.5° | 180.0° |
| CL2 | C29 | C28 | H24 | 1.5° | 0.1° |
| CL2 | C29 | C31 | H25 | 1.5° | 0.3° |
| C29 | C28 | C27 | C26 | 0.2° | 0.0° |
| C29 | C28 | C27 | H24 | 180.0° | 179.9° |
| C29 | C28 | C27 | H23 | 179.8° | 180.0° |
| C28 | C29 | C31 | H25 | 179.8° | 179.8° |
| N25 | C26 | C27 | C28 | 168.0° | 180.0° |
| C26 | N25 | C2 | H22 | 180.0° | 180.0° |
| C26 | N25 | C2 | N3 | 21.3° | 174.0° |
| C26 | N25 | C2 | N1 | 164.0° | 6.1° |
| N25 | C26 | C27 | H23 | 12.0° | 0.1° |
| N25 | C26 | C32 | H26 | 10.6° | 0.3° |
| C26 | C27 | C28 | H23 | 180.0° | 179.9° |
| C27 | C26 | N25 | C2 | 1.2° | 143.6° |
| C27 | C26 | N25 | H22 | 178.8° | 36.4° |
| C26 | C27 | C28 | H24 | 179.8° | 180.0° |
| C27 | C26 | C32 | H26 | 179.7° | 180.0° |
| C6 | N5 | C4 | N3 | 16.5° | 179.9° |
| C6 | N5 | C4 | H3 | 180.0° | 180.0° |
| C6 | N5 | C4 | N24 | 167.5° | 0.0° |
| N5 | C6 | H4 | H5 | 119.3° | 120.0° |
| N5 | C6 | C7 | H6 | 31.9° | 60.0° |
| N5 | C6 | C7 | H7 | 150.4° | 60.1° |
| N25 | C2 | N3 | N1 | 174.5° | 179.9° |
| N25 | C2 | N3 | C4 | 169.5° | 6.6° |
| N25 | C2 | N1 | H1 | 174.5° | 174.9° |
| N25 | C2 | N3 | H2 | 10.5° | 173.5° |
| C2 | N3 | C4 | H2 | 180.0° | 179.9° |
| C2 | N3 | C4 | N5 | 169.0° | 177.8° |
| C2 | N3 | C4 | N24 | 14.8° | 2.3° |
| N3 | C2 | N1 | H1 | 0.0° | 5.0° |
| N3 | C2 | N25 | H22 | 158.7° | 6.0° |
| N1 | C2 | N3 | C4 | 16.1° | 173.4° |
| N1 | C2 | N3 | H2 | 163.9° | 6.5° |
| N1 | C2 | N25 | H22 | 16.0° | 173.9° |
| N3 | C4 | N5 | N24 | 176.1° | 180.0° |
| N3 | C4 | N5 | H3 | 163.5° | 0.1° |
| N3 | C4 | N24 | H21 | 176.1° | 180.0° |
| N5 | C4 | N3 | H2 | 11.0° | 2.1° |
| C4 | N5 | C6 | H4 | 161.7° | 60.0° |
| C4 | N5 | C6 | H5 | 42.1° | 60.0° |
| N5 | C4 | N24 | H21 | 0.0° | 0.0° |
| N24 | C4 | N3 | H2 | 165.2° | 177.8° |
| N24 | C4 | N5 | H3 | 12.5° | 180.0° |
| H3 | N5 | C6 | H4 | 18.3° | 120.0° |
| H3 | N5 | C6 | H5 | 137.9° | 120.0° |
| H4 | C6 | C7 | H6 | 88.3° | 180.0° |
| H4 | C6 | C7 | H7 | 30.2° | 60.0° |
| H5 | C6 | C7 | H6 | 152.1° | 59.9° |
| H5 | C6 | C7 | H7 | 89.3° | 180.0° |
| H6 | C7 | C8 | H8 | 178.4° | 180.0° |
| H6 | C7 | C8 | H9 | 60.3° | 60.0° |
| H7 | C7 | C8 | H8 | 63.1° | 60.1° |
| H7 | C7 | C8 | H9 | 178.8° | 180.0° |
| H8 | C8 | C9 | H10 | 141.1° | 180.0° |
| H8 | C8 | C9 | H11 | 21.0° | 60.0° |
| H9 | C8 | C9 | H10 | 100.7° | 60.0° |
| H9 | C8 | C9 | H11 | 139.1° | 180.0° |
| H10 | C9 | N10 | H12 | 16.5° | 120.0° |
| H11 | C9 | N10 | H12 | 136.6° | 120.0° |
| H15 | C16 | C17 | H16 | 0.2° | 0.1° |
| H17 | C20 | C21 | H18 | 0.0° | 0.3° |
| H23 | C27 | C28 | H24 | 0.2° | 0.1° |
| H25 | C31 | C32 | H26 | 0.3° | 0.5° |
