65L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F31 | C30 | sing | 1.35Å | 1.34Å | |
N29 | C28 | doub | 1.31Å | 1.31Å | Aromatic |
N29 | C13 | sing | 1.33Å | 1.35Å | Aromatic |
N12 | C13 | sing | 1.39Å | 1.40Å | |
N12 | C11 | sing | 1.40Å | 1.41Å | |
C28 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
C30 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C30 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C32 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
C27 | C26 | doub | 1.41Å | 1.40Å | Aromatic |
C27 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C26 | C25 | sing | 1.36Å | 1.36Å | Aromatic |
C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
C8 | N6 | sing | 1.40Å | 1.41Å | |
O1 | C2 | sing | 1.43Å | 1.43Å | |
C15 | N16 | doub | 1.34Å | 1.35Å | Aromatic |
N7 | N6 | sing | 1.40Å | 1.40Å | Aromatic |
N7 | C3 | doub | 1.31Å | 1.31Å | Aromatic |
N6 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
C25 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
C3 | C2 | sing | 1.51Å | 1.51Å | |
C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
N16 | C17 | sing | 1.32Å | 1.32Å | Aromatic |
C5 | C4 | doub | 1.35Å | 1.36Å | Aromatic |
C17 | O18 | sing | 1.36Å | 1.36Å | |
O18 | C19 | sing | 1.43Å | 1.43Å | |
C19 | C20 | sing | 1.53Å | 1.54Å | |
C19 | C24 | sing | 1.53Å | 1.53Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C21 | N22 | sing | 1.47Å | 1.47Å | |
C24 | C23 | sing | 1.53Å | 1.53Å | |
C23 | N22 | sing | 1.47Å | 1.47Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.08Å | 1.08Å | |
N12 | H4 | sing | 0.97Å | 1.00Å | |
C20 | H5 | sing | 1.09Å | 1.10Å | |
C20 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C21 | H8 | sing | 1.09Å | 1.10Å | |
C24 | H9 | sing | 1.09Å | 1.10Å | |
C24 | H10 | sing | 1.09Å | 1.10Å | |
C26 | H11 | sing | 1.08Å | 1.08Å | |
C28 | H12 | sing | 1.08Å | 1.08Å | |
O1 | H13 | sing | 0.97Å | 0.95Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
C2 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.08Å | 1.08Å | |
C14 | H17 | sing | 1.08Å | 1.08Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
N22 | H19 | sing | 1.01Å | 1.00Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
C25 | H23 | sing | 1.08Å | 1.08Å | |
C32 | H24 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F31 | C30 | C11 | 118.8° | 120.0° |
F31 | C30 | C32 | 119.7° | 120.0° |
C28 | N29 | C13 | 122.2° | 122.5° |
N29 | C28 | C27 | 121.0° | 120.2° |
N29 | C28 | H12 | 119.5° | 119.9° |
N29 | C13 | N12 | 116.8° | 119.2° |
N29 | C13 | C14 | 119.8° | 121.6° |
C13 | N12 | C11 | 126.3° | 120.0° |
N12 | C13 | C14 | 123.3° | 119.2° |
C13 | N12 | H4 | 116.8° | 120.0° |
N12 | C11 | C30 | 118.1° | 120.0° |
N12 | C11 | C10 | 123.0° | 120.0° |
C11 | N12 | H4 | 116.9° | 120.1° |
C28 | C27 | C26 | 122.3° | 122.0° |
C28 | C27 | C15 | 119.1° | 119.0° |
C27 | C28 | H12 | 119.5° | 119.9° |
C11 | C30 | C32 | 121.5° | 119.9° |
C30 | C11 | C10 | 118.9° | 120.0° |
C30 | C32 | C8 | 119.3° | 120.0° |
C30 | C32 | H24 | 120.3° | 120.0° |
C13 | C14 | C15 | 120.6° | 118.6° |
C13 | C14 | H17 | 119.7° | 120.6° |
C11 | C10 | C9 | 119.9° | 120.0° |
C11 | C10 | H3 | 120.1° | 120.0° |
C32 | C8 | C9 | 119.3° | 120.0° |
C32 | C8 | N6 | 120.3° | 120.0° |
C8 | C32 | H24 | 120.4° | 120.0° |
C26 | C27 | C15 | 118.6° | 119.0° |
C27 | C26 | C25 | 118.9° | 118.2° |
C27 | C26 | H11 | 120.5° | 120.9° |
C27 | C15 | C14 | 117.2° | 118.1° |
C27 | C15 | N16 | 120.0° | 120.1° |
C10 | C9 | C8 | 121.0° | 120.0° |
C9 | C10 | H3 | 120.1° | 120.0° |
C10 | C9 | H16 | 119.5° | 120.0° |
C26 | C25 | C17 | 120.2° | 120.0° |
C25 | C26 | H11 | 120.5° | 120.9° |
C26 | C25 | H23 | 119.9° | 120.0° |
C14 | C15 | N16 | 122.8° | 121.9° |
C15 | C14 | H17 | 119.7° | 120.7° |
C9 | C8 | N6 | 120.1° | 120.0° |
C8 | C9 | H16 | 119.5° | 120.0° |
C8 | N6 | N7 | 123.1° | 126.0° |
C8 | N6 | C5 | 129.6° | 126.1° |
O1 | C2 | C3 | 107.9° | 109.5° |
C2 | O1 | H13 | 109.5° | 114.0° |
O1 | C2 | H14 | 109.8° | 109.5° |
O1 | C2 | H15 | 109.9° | 109.5° |
C15 | N16 | C17 | 121.5° | 121.0° |
N6 | N7 | C3 | 108.9° | 108.2° |
N7 | N6 | C5 | 106.9° | 107.9° |
N7 | C3 | C2 | 125.0° | 125.9° |
N7 | C3 | C4 | 108.2° | 108.2° |
N6 | C5 | C4 | 108.4° | 107.8° |
N6 | C5 | H2 | 125.8° | 126.1° |
C25 | C17 | N16 | 120.7° | 121.7° |
C25 | C17 | O18 | 117.5° | 119.2° |
C17 | C25 | H23 | 119.9° | 120.0° |
C2 | C3 | C4 | 126.8° | 125.9° |
C3 | C2 | H14 | 109.9° | 109.4° |
C3 | C2 | H15 | 109.8° | 109.5° |
C3 | C4 | C5 | 107.5° | 108.0° |
C3 | C4 | H1 | 126.2° | 126.0° |
N16 | C17 | O18 | 121.8° | 119.2° |
C5 | C4 | H1 | 126.3° | 126.1° |
C4 | C5 | H2 | 125.8° | 126.2° |
C17 | O18 | C19 | 120.8° | 117.0° |
O18 | C19 | C20 | 112.3° | 109.5° |
O18 | C19 | C24 | 108.0° | 109.5° |
O18 | C19 | H18 | 110.3° | 109.5° |
C20 | C19 | C24 | 108.4° | 109.2° |
C19 | C20 | C21 | 111.8° | 109.3° |
C19 | C20 | H5 | 108.9° | 109.5° |
C19 | C20 | H6 | 108.9° | 109.5° |
C20 | C19 | H18 | 108.7° | 109.5° |
C19 | C24 | C23 | 107.9° | 109.3° |
C19 | C24 | H9 | 109.8° | 109.5° |
C19 | C24 | H10 | 109.8° | 109.6° |
C24 | C19 | H18 | 108.9° | 109.5° |
C20 | C21 | N22 | 112.3° | 109.5° |
C21 | C20 | H5 | 108.9° | 109.5° |
C21 | C20 | H6 | 108.9° | 109.5° |
C20 | C21 | H7 | 108.7° | 109.4° |
C20 | C21 | H8 | 108.7° | 109.4° |
C21 | N22 | C23 | 113.9° | 111.2° |
N22 | C21 | H7 | 108.8° | 109.5° |
N22 | C21 | H8 | 108.7° | 109.5° |
C21 | N22 | H19 | 108.4° | 111.1° |
C24 | C23 | N22 | 110.0° | 109.6° |
C23 | C24 | H9 | 109.9° | 109.5° |
C23 | C24 | H10 | 109.9° | 109.5° |
C24 | C23 | H21 | 109.3° | 109.5° |
C24 | C23 | H22 | 109.4° | 109.5° |
C23 | N22 | H19 | 108.4° | 111.0° |
N22 | C23 | H21 | 109.3° | 109.5° |
N22 | C23 | H22 | 109.4° | 109.4° |
H5 | C20 | H6 | 109.5° | 109.5° |
H7 | C21 | H8 | 109.5° | 109.5° |
H9 | C24 | H10 | 109.5° | 109.5° |
H14 | C2 | H15 | 109.5° | 109.4° |
H21 | C23 | H22 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F31 | C30 | C11 | N12 | 0.1° | 0.0° |
F31 | C30 | C11 | C32 | 179.7° | 179.8° |
F31 | C30 | C11 | C10 | 178.6° | 179.4° |
F31 | C30 | C32 | C8 | 178.6° | 179.7° |
F31 | C30 | C32 | H24 | 1.4° | 0.3° |
C28 | N29 | C13 | N12 | 179.9° | 180.0° |
N29 | C28 | C27 | H12 | 180.0° | 179.6° |
C28 | N29 | C13 | C14 | 1.5° | 0.2° |
N29 | C28 | C27 | C26 | 178.4° | 179.7° |
N29 | C28 | C27 | C15 | 1.1° | 0.3° |
N29 | C13 | N12 | C14 | 178.3° | 179.8° |
N29 | C13 | N12 | C11 | 175.3° | 6.5° |
C13 | N29 | C28 | C27 | 2.2° | 0.1° |
N29 | C13 | C14 | C15 | 0.4° | 0.2° |
N29 | C13 | N12 | H4 | 4.7° | 173.4° |
C13 | N29 | C28 | H12 | 177.8° | 179.7° |
N29 | C13 | C14 | H17 | 179.6° | 179.8° |
C13 | N12 | C11 | H4 | 180.0° | 180.0° |
C13 | N12 | C11 | C30 | 139.6° | 155.6° |
C13 | N12 | C11 | C10 | 41.8° | 24.9° |
N12 | C13 | C14 | C15 | 177.9° | 180.0° |
N12 | C13 | C14 | H17 | 2.1° | 0.0° |
N12 | C11 | C30 | C10 | 178.6° | 179.4° |
N12 | C11 | C30 | C32 | 179.6° | 179.8° |
C11 | N12 | C13 | C14 | 3.0° | 173.7° |
N12 | C11 | C10 | C9 | 179.0° | 180.0° |
N12 | C11 | C10 | H3 | 1.0° | 0.0° |
C28 | C27 | C26 | C15 | 179.5° | 180.0° |
C28 | C27 | C26 | C25 | 178.2° | 179.4° |
C28 | C27 | C15 | C14 | 0.7° | 0.3° |
C28 | C27 | C15 | N16 | 179.6° | 179.8° |
C28 | C27 | C26 | H11 | 1.8° | 0.0° |
C11 | C30 | C32 | C8 | 1.8° | 0.6° |
C30 | C11 | C10 | C9 | 2.4° | 0.5° |
C30 | C11 | C10 | H3 | 177.6° | 179.4° |
C30 | C11 | N12 | H4 | 40.4° | 24.3° |
C11 | C30 | C32 | H24 | 178.3° | 179.5° |
C32 | C30 | C11 | C10 | 1.7° | 0.8° |
C30 | C32 | C8 | H24 | 180.0° | 180.0° |
C30 | C32 | C8 | C9 | 2.4° | 0.0° |
C30 | C32 | C8 | N6 | 176.1° | 179.7° |
C13 | C14 | C15 | C27 | 1.4° | 0.0° |
C13 | C14 | C15 | H17 | 180.0° | 180.0° |
C13 | C14 | C15 | N16 | 178.9° | 180.0° |
C14 | C13 | N12 | H4 | 176.9° | 6.3° |
C11 | C10 | C9 | H3 | 180.0° | 180.0° |
C11 | C10 | C9 | C8 | 3.1° | 0.0° |
C10 | C11 | N12 | H4 | 138.2° | 155.1° |
C11 | C10 | C9 | H16 | 176.9° | 179.9° |
C32 | C8 | C9 | C10 | 3.1° | 0.3° |
C32 | C8 | C9 | N6 | 173.7° | 179.7° |
C32 | C8 | N6 | N7 | 16.2° | 180.0° |
C32 | C8 | N6 | C5 | 171.9° | 0.3° |
C32 | C8 | C9 | H16 | 176.9° | 179.8° |
C27 | C26 | C25 | H11 | 180.0° | 179.4° |
C26 | C27 | C15 | C14 | 179.8° | 179.7° |
C26 | C27 | C15 | N16 | 0.1° | 0.2° |
C27 | C26 | C25 | C17 | 1.4° | 0.6° |
C26 | C27 | C28 | H12 | 1.6° | 0.1° |
C27 | C26 | C25 | H23 | 178.6° | 179.4° |
C15 | C27 | C26 | C25 | 1.3° | 0.5° |
C27 | C15 | C14 | N16 | 179.6° | 180.0° |
C27 | C15 | N16 | C17 | 1.5° | 0.1° |
C15 | C27 | C26 | H11 | 178.7° | 180.0° |
C15 | C27 | C28 | H12 | 178.9° | 180.0° |
C27 | C15 | C14 | H17 | 178.6° | 179.9° |
C10 | C9 | C8 | H16 | 180.0° | 179.9° |
C10 | C9 | C8 | N6 | 176.8° | 180.0° |
C26 | C25 | C17 | H23 | 180.0° | 180.0° |
C26 | C25 | C17 | N16 | 0.1° | 0.3° |
C26 | C25 | C17 | O18 | 179.5° | 179.7° |
C14 | C15 | N16 | C17 | 178.9° | 180.0° |
C9 | C8 | N6 | N7 | 157.4° | 0.2° |
C9 | C8 | N6 | C5 | 14.5° | 180.0° |
C8 | C9 | C10 | H3 | 176.9° | 180.0° |
C9 | C8 | C32 | H24 | 177.6° | 180.0° |
C8 | N6 | N7 | C5 | 173.5° | 179.8° |
C8 | N6 | N7 | C3 | 176.0° | 179.8° |
C8 | N6 | C5 | C4 | 175.7° | 180.0° |
C8 | N6 | C5 | H2 | 4.3° | 0.1° |
N6 | C8 | C9 | H16 | 3.2° | 0.1° |
N6 | C8 | C32 | H24 | 4.0° | 0.2° |
O1 | C2 | C3 | N7 | 59.7° | 180.0° |
O1 | C2 | C3 | H14 | 119.7° | 120.0° |
O1 | C2 | C3 | H15 | 119.7° | 120.1° |
O1 | C2 | C3 | C4 | 119.7° | 0.1° |
O1 | C2 | H14 | H15 | 120.7° | 120.0° |
C15 | N16 | C17 | C25 | 1.4° | 0.0° |
C15 | N16 | C17 | O18 | 179.0° | 180.0° |
N16 | C15 | C14 | H17 | 1.1° | 0.0° |
N6 | N7 | C3 | C2 | 178.3° | 179.9° |
N6 | N7 | C3 | C4 | 1.2° | 0.2° |
N7 | N6 | C5 | C4 | 2.8° | 0.2° |
N7 | N6 | C5 | H2 | 177.2° | 179.9° |
C3 | N7 | N6 | C5 | 2.5° | 0.0° |
N7 | C3 | C2 | C4 | 179.4° | 179.9° |
N7 | C3 | C4 | C5 | 0.5° | 0.3° |
N7 | C3 | C4 | H1 | 179.5° | 180.0° |
N7 | C3 | C2 | H14 | 60.0° | 60.1° |
N7 | C3 | C2 | H15 | 179.5° | 59.9° |
N6 | C5 | C4 | C3 | 2.1° | 0.3° |
N6 | C5 | C4 | H2 | 180.0° | 179.9° |
N6 | C5 | C4 | H1 | 177.9° | 180.0° |
C25 | C17 | N16 | O18 | 179.6° | 180.0° |
C25 | C17 | O18 | C19 | 164.7° | 179.9° |
C17 | C25 | C26 | H11 | 178.6° | 180.0° |
C2 | C3 | C4 | C5 | 180.0° | 179.8° |
C2 | C3 | C4 | H1 | 0.0° | 0.1° |
C3 | C2 | O1 | H13 | 180.0° | 180.0° |
C3 | C2 | H14 | H15 | 120.7° | 120.0° |
C3 | C4 | C5 | H1 | 180.0° | 179.7° |
C3 | C4 | C5 | H2 | 177.9° | 179.8° |
C4 | C3 | C2 | H14 | 120.6° | 120.1° |
C4 | C3 | C2 | H15 | 0.1° | 120.0° |
N16 | C17 | O18 | C19 | 15.7° | 0.0° |
N16 | C17 | C25 | H23 | 179.9° | 179.7° |
C17 | O18 | C19 | C20 | 72.2° | 150.0° |
C17 | O18 | C19 | C24 | 168.2° | 90.3° |
C17 | O18 | C19 | H18 | 49.3° | 29.8° |
O18 | C17 | C25 | H23 | 0.5° | 0.3° |
O18 | C19 | C20 | C24 | 119.3° | 119.9° |
O18 | C19 | C20 | H18 | 122.4° | 120.2° |
O18 | C19 | C24 | H18 | 119.9° | 120.1° |
O18 | C19 | C20 | C21 | 174.4° | 177.5° |
O18 | C19 | C24 | C23 | 176.2° | 177.5° |
O18 | C19 | C20 | H5 | 65.2° | 57.6° |
O18 | C19 | C20 | H6 | 54.1° | 62.5° |
O18 | C19 | C24 | H9 | 64.1° | 57.6° |
O18 | C19 | C24 | H10 | 56.4° | 62.5° |
C20 | C19 | C24 | H18 | 118.1° | 119.9° |
C19 | C20 | C21 | H5 | 120.4° | 120.0° |
C19 | C20 | C21 | H6 | 120.3° | 120.0° |
C19 | C20 | C21 | N22 | 48.8° | 59.2° |
C20 | C19 | C24 | C23 | 61.8° | 57.6° |
C19 | C20 | H5 | H6 | 119.0° | 120.1° |
C19 | C20 | C21 | H7 | 71.6° | 60.8° |
C19 | C20 | C21 | H8 | 169.3° | 179.2° |
C20 | C19 | C24 | H9 | 57.9° | 62.3° |
C20 | C19 | C24 | H10 | 178.4° | 177.6° |
C24 | C19 | C20 | C21 | 55.1° | 57.7° |
C19 | C24 | C23 | H9 | 119.7° | 119.9° |
C19 | C24 | C23 | H10 | 119.7° | 120.0° |
C19 | C24 | C23 | N22 | 63.4° | 59.1° |
C24 | C19 | C20 | H5 | 175.4° | 62.3° |
C24 | C19 | C20 | H6 | 65.2° | 177.6° |
C19 | C24 | H9 | H10 | 120.7° | 120.2° |
C19 | C24 | C23 | H21 | 176.6° | 179.2° |
C19 | C24 | C23 | H22 | 56.7° | 60.9° |
C20 | C21 | N22 | H7 | 120.4° | 120.0° |
C20 | C21 | N22 | H8 | 120.4° | 120.0° |
C20 | C21 | N22 | C23 | 50.4° | 61.7° |
C21 | C20 | H5 | H6 | 118.9° | 120.1° |
C20 | C21 | H7 | H8 | 118.7° | 119.9° |
C21 | C20 | C19 | H18 | 63.2° | 62.3° |
C20 | C21 | N22 | H19 | 171.1° | 174.2° |
C21 | N22 | C23 | C24 | 58.1° | 61.7° |
C21 | N22 | C23 | H19 | 120.7° | 124.2° |
N22 | C21 | C20 | H5 | 169.2° | 60.8° |
N22 | C21 | C20 | H6 | 71.5° | 179.2° |
N22 | C21 | H7 | H8 | 118.7° | 120.0° |
C21 | N22 | C23 | H21 | 178.2° | 178.2° |
C21 | N22 | C23 | H22 | 62.0° | 58.3° |
C24 | C23 | N22 | H21 | 120.1° | 120.1° |
C24 | C23 | N22 | H22 | 120.1° | 120.0° |
C23 | C24 | H9 | H10 | 120.7° | 120.1° |
C23 | C24 | C19 | H18 | 56.3° | 62.3° |
C24 | C23 | N22 | H19 | 178.8° | 174.2° |
C24 | C23 | H21 | H22 | 119.8° | 119.9° |
C23 | N22 | C21 | H7 | 70.0° | 58.3° |
C23 | N22 | C21 | H8 | 170.8° | 178.3° |
N22 | C23 | C24 | H9 | 56.4° | 60.8° |
N22 | C23 | C24 | H10 | 176.9° | 179.2° |
N22 | C23 | H21 | H22 | 119.8° | 119.9° |
H1 | C4 | C5 | H2 | 2.1° | 0.1° |
H3 | C10 | C9 | H16 | 3.2° | 0.1° |
H5 | C20 | C21 | H7 | 48.8° | 179.2° |
H5 | C20 | C21 | H8 | 70.4° | 59.2° |
H5 | C20 | C19 | H18 | 57.2° | 177.8° |
H6 | C20 | C21 | H7 | 168.1° | 59.2° |
H6 | C20 | C21 | H8 | 48.9° | 60.8° |
H6 | C20 | C19 | H18 | 176.5° | 57.7° |
H7 | C21 | N22 | H19 | 50.7° | 65.8° |
H8 | C21 | N22 | H19 | 68.5° | 54.2° |
H9 | C24 | C19 | H18 | 176.1° | 177.8° |
H9 | C24 | C23 | H21 | 63.7° | 59.3° |
H9 | C24 | C23 | H22 | 176.4° | 179.2° |
H10 | C24 | C19 | H18 | 63.5° | 57.7° |
H10 | C24 | C23 | H21 | 56.8° | 60.7° |
H10 | C24 | C23 | H22 | 63.0° | 59.1° |
H11 | C26 | C25 | H23 | 1.4° | 0.0° |
H13 | O1 | C2 | H14 | 60.2° | 60.0° |
H13 | O1 | C2 | H15 | 60.3° | 60.0° |
H19 | N22 | C23 | H21 | 61.2° | 54.1° |
H19 | N22 | C23 | H22 | 58.7° | 65.8° |