N4L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C12 | doub | 1.22Å | 1.24Å | |
C12 | N1 | sing | 1.34Å | 1.37Å | |
C12 | C11 | sing | 1.46Å | 1.42Å | |
N1 | C13 | sing | 1.38Å | 1.39Å | |
C11 | C10 | doub | 1.37Å | 1.36Å | |
C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C19 | sing | 1.41Å | 1.42Å | Aromatic |
C10 | C19 | sing | 1.47Å | 1.49Å | |
C10 | C9 | sing | 1.48Å | 1.50Å | |
C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C19 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
O2 | C9 | doub | 1.21Å | 1.23Å | |
C9 | N | sing | 1.35Å | 1.33Å | |
C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
N | C8 | sing | 1.46Å | 1.46Å | |
C17 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | C7 | sing | 1.53Å | 1.50Å | |
C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | O1 | sing | 1.43Å | 1.43Å | |
C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | O1 | sing | 1.36Å | 1.37Å | |
C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
C1 | O | sing | 1.36Å | 1.37Å | |
O | C | sing | 1.43Å | 1.43Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C16 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
N | H15 | sing | 0.97Å | 1.00Å | |
C | H16 | sing | 1.09Å | 1.10Å | |
C | H17 | sing | 1.09Å | 1.10Å | |
C | H18 | sing | 1.09Å | 1.10Å | |
C3 | H19 | sing | 1.08Å | 1.08Å | |
C2 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C12 | N1 | 120.2° | 119.5° |
O3 | C12 | C11 | 123.8° | 119.5° |
N1 | C12 | C11 | 115.8° | 121.0° |
C12 | N1 | C13 | 124.4° | 121.3° |
C12 | N1 | H1 | 117.8° | 119.3° |
C12 | C11 | C10 | 124.5° | 119.4° |
C12 | C11 | H9 | 117.8° | 120.3° |
N1 | C13 | C14 | 119.6° | 120.4° |
N1 | C13 | C19 | 119.9° | 120.3° |
C13 | N1 | H1 | 117.8° | 119.3° |
C11 | C10 | C19 | 118.5° | 118.5° |
C11 | C10 | C9 | 116.7° | 120.7° |
C10 | C11 | H9 | 117.8° | 120.3° |
C14 | C13 | C19 | 120.5° | 119.3° |
C13 | C14 | C15 | 119.8° | 119.8° |
C13 | C14 | H14 | 120.1° | 120.1° |
C13 | C19 | C10 | 116.7° | 119.4° |
C13 | C19 | C17 | 118.9° | 119.9° |
C19 | C10 | C9 | 124.7° | 120.7° |
C10 | C19 | C17 | 124.4° | 120.7° |
C10 | C9 | O2 | 121.4° | 120.0° |
C10 | C9 | N | 116.6° | 120.0° |
C14 | C15 | C16 | 120.3° | 120.7° |
C14 | C15 | H8 | 119.8° | 119.6° |
C15 | C14 | H14 | 120.1° | 120.2° |
C19 | C17 | C16 | 118.8° | 119.8° |
C19 | C17 | C18 | 123.0° | 120.1° |
O2 | C9 | N | 122.0° | 120.0° |
C9 | N | C8 | 121.9° | 120.1° |
C9 | N | H15 | 119.1° | 120.0° |
C15 | C16 | C17 | 121.7° | 120.5° |
C16 | C15 | H8 | 119.9° | 119.7° |
C15 | C16 | H13 | 119.2° | 119.7° |
N | C8 | C7 | 111.2° | 109.5° |
N | C8 | H6 | 109.0° | 109.5° |
N | C8 | H7 | 109.1° | 109.4° |
C8 | N | H15 | 119.1° | 120.0° |
C16 | C17 | C18 | 118.2° | 120.1° |
C17 | C16 | H13 | 119.2° | 119.7° |
C17 | C18 | H10 | 109.5° | 109.4° |
C17 | C18 | H11 | 109.5° | 109.5° |
C17 | C18 | H12 | 109.5° | 109.5° |
C5 | C4 | C3 | 120.6° | 120.2° |
C4 | C5 | C6 | 119.4° | 120.0° |
C5 | C4 | H2 | 119.7° | 119.9° |
C4 | C5 | H3 | 120.3° | 120.0° |
C4 | C3 | C2 | 120.6° | 120.1° |
C3 | C4 | H2 | 119.7° | 120.0° |
C4 | C3 | H19 | 119.7° | 119.9° |
C8 | C7 | O1 | 107.4° | 109.4° |
C8 | C7 | H4 | 110.0° | 109.5° |
C8 | C7 | H5 | 110.0° | 109.4° |
C7 | C8 | H6 | 109.0° | 109.5° |
C7 | C8 | H7 | 109.0° | 109.5° |
C5 | C6 | O1 | 125.3° | 120.1° |
C5 | C6 | C1 | 120.0° | 119.8° |
C6 | C5 | H3 | 120.3° | 120.0° |
C7 | O1 | C6 | 119.0° | 117.0° |
O1 | C7 | H4 | 110.0° | 109.5° |
O1 | C7 | H5 | 110.0° | 109.5° |
C3 | C2 | C1 | 119.5° | 120.0° |
C2 | C3 | H19 | 119.7° | 120.0° |
C3 | C2 | H20 | 120.2° | 120.0° |
O1 | C6 | C1 | 114.7° | 120.1° |
C6 | C1 | C2 | 119.9° | 119.9° |
C6 | C1 | O | 115.1° | 120.0° |
C2 | C1 | O | 125.0° | 120.1° |
C1 | C2 | H20 | 120.2° | 120.0° |
C1 | O | C | 118.0° | 117.0° |
O | C | H16 | 109.5° | 109.5° |
O | C | H17 | 109.5° | 109.5° |
O | C | H18 | 109.4° | 109.5° |
H4 | C7 | H5 | 109.5° | 109.5° |
H6 | C8 | H7 | 109.5° | 109.4° |
H10 | C18 | H11 | 109.5° | 109.4° |
H10 | C18 | H12 | 109.5° | 109.5° |
H11 | C18 | H12 | 109.5° | 109.5° |
H16 | C | H17 | 109.5° | 109.4° |
H16 | C | H18 | 109.5° | 109.5° |
H17 | C | H18 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C12 | N1 | C11 | 175.3° | 179.9° |
O3 | C12 | N1 | C13 | 171.0° | 180.0° |
O3 | C12 | C11 | C10 | 172.2° | 180.0° |
O3 | C12 | N1 | H1 | 9.0° | 0.4° |
O3 | C12 | C11 | H9 | 7.8° | 0.0° |
C12 | N1 | C13 | H1 | 180.0° | 179.6° |
N1 | C12 | C11 | C10 | 3.0° | 0.0° |
C12 | N1 | C13 | C14 | 178.1° | 179.8° |
C12 | N1 | C13 | C19 | 1.0° | 0.3° |
N1 | C12 | C11 | H9 | 177.1° | 180.0° |
C11 | C12 | N1 | C13 | 4.3° | 0.1° |
C12 | C11 | C10 | H9 | 180.0° | 180.0° |
C12 | C11 | C10 | C19 | 1.5° | 0.3° |
C12 | C11 | C10 | C9 | 173.9° | 179.8° |
C11 | C12 | N1 | H1 | 175.7° | 179.7° |
N1 | C13 | C14 | C19 | 179.1° | 179.9° |
N1 | C13 | C19 | C10 | 3.6° | 0.6° |
N1 | C13 | C14 | C15 | 178.1° | 180.0° |
N1 | C13 | C19 | C17 | 176.2° | 179.9° |
N1 | C13 | C14 | H14 | 1.9° | 0.0° |
C11 | C10 | C19 | C13 | 4.7° | 0.6° |
C11 | C10 | C19 | C9 | 175.0° | 179.5° |
C11 | C10 | C19 | C17 | 175.0° | 180.0° |
C11 | C10 | C9 | O2 | 94.0° | 100.3° |
C11 | C10 | C9 | N | 85.3° | 79.8° |
C14 | C13 | C19 | C10 | 177.3° | 179.5° |
C13 | C14 | C15 | H14 | 180.0° | 180.0° |
C14 | C13 | C19 | C17 | 2.9° | 0.0° |
C13 | C14 | C15 | C16 | 0.9° | 0.0° |
C14 | C13 | N1 | H1 | 1.9° | 0.1° |
C13 | C14 | C15 | H8 | 179.1° | 180.0° |
C13 | C19 | C10 | C17 | 179.7° | 179.5° |
C13 | C19 | C10 | C9 | 170.3° | 179.9° |
C19 | C13 | C14 | C15 | 1.0° | 0.0° |
C13 | C19 | C17 | C16 | 2.9° | 0.0° |
C13 | C19 | C17 | C18 | 173.2° | 180.0° |
C19 | C13 | N1 | H1 | 179.0° | 180.0° |
C19 | C13 | C14 | H14 | 179.0° | 179.9° |
C19 | C10 | C9 | O2 | 81.1° | 80.2° |
C19 | C10 | C9 | N | 99.6° | 99.7° |
C10 | C19 | C17 | C16 | 177.4° | 179.4° |
C10 | C19 | C17 | C18 | 6.5° | 0.5° |
C19 | C10 | C11 | H9 | 178.4° | 179.7° |
C9 | C10 | C19 | C17 | 10.0° | 0.5° |
C10 | C9 | O2 | N | 179.2° | 180.0° |
C10 | C9 | N | C8 | 170.5° | 175.0° |
C9 | C10 | C11 | H9 | 6.1° | 0.2° |
C10 | C9 | N | H15 | 9.5° | 4.9° |
C14 | C15 | C16 | H8 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.9° | 0.1° |
C14 | C15 | C16 | H13 | 179.1° | 179.9° |
C19 | C17 | C16 | C15 | 1.1° | 0.1° |
C19 | C17 | C16 | C18 | 176.3° | 180.0° |
C19 | C17 | C18 | H10 | 87.9° | 80.8° |
C19 | C17 | C18 | H11 | 152.1° | 39.1° |
C19 | C17 | C18 | H12 | 32.1° | 159.2° |
C19 | C17 | C16 | H13 | 178.9° | 179.9° |
O2 | C9 | N | C8 | 10.3° | 5.0° |
O2 | C9 | N | H15 | 169.8° | 175.0° |
C9 | N | C8 | H15 | 180.0° | 179.9° |
C9 | N | C8 | C7 | 151.4° | 180.0° |
C9 | N | C8 | H6 | 88.3° | 59.9° |
C9 | N | C8 | H7 | 31.2° | 60.0° |
C15 | C16 | C17 | H13 | 180.0° | 179.8° |
C15 | C16 | C17 | C18 | 175.2° | 179.9° |
C16 | C15 | C14 | H14 | 179.1° | 180.0° |
N | C8 | C7 | H6 | 120.3° | 120.1° |
N | C8 | C7 | H7 | 120.3° | 120.0° |
N | C8 | C7 | O1 | 55.4° | 65.0° |
N | C8 | C7 | H4 | 175.1° | 175.0° |
N | C8 | C7 | H5 | 64.2° | 55.0° |
N | C8 | H6 | H7 | 119.2° | 119.9° |
C17 | C16 | C15 | H8 | 179.1° | 179.9° |
C16 | C17 | C18 | H10 | 88.2° | 99.2° |
C16 | C17 | C18 | H11 | 31.8° | 140.9° |
C16 | C17 | C18 | H12 | 151.7° | 20.8° |
C17 | C18 | H10 | H11 | 120.0° | 120.0° |
C17 | C18 | H10 | H12 | 120.0° | 120.0° |
C17 | C18 | H11 | H12 | 120.0° | 120.1° |
C18 | C17 | C16 | H13 | 4.8° | 0.1° |
C5 | C4 | C3 | H2 | 180.0° | 179.7° |
C4 | C5 | C6 | H3 | 180.0° | 180.0° |
C5 | C4 | C3 | C2 | 0.8° | 0.0° |
C4 | C5 | C6 | O1 | 179.6° | 180.0° |
C4 | C5 | C6 | C1 | 0.2° | 0.0° |
C5 | C4 | C3 | H19 | 179.2° | 180.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.0° |
C4 | C3 | C2 | H19 | 180.0° | 179.9° |
C4 | C3 | C2 | C1 | 0.7° | 0.0° |
C3 | C4 | C5 | H3 | 179.7° | 180.0° |
C4 | C3 | C2 | H20 | 179.3° | 180.0° |
C8 | C7 | O1 | H4 | 119.7° | 120.0° |
C8 | C7 | O1 | H5 | 119.7° | 120.0° |
C8 | C7 | O1 | C6 | 168.3° | 180.0° |
C8 | C7 | H4 | H5 | 121.0° | 120.0° |
C7 | C8 | H6 | H7 | 119.2° | 120.0° |
C7 | C8 | N | H15 | 28.6° | 0.0° |
C5 | C6 | O1 | C7 | 2.5° | 0.0° |
C5 | C6 | O1 | C1 | 179.8° | 179.9° |
C5 | C6 | C1 | C2 | 0.3° | 0.0° |
C5 | C6 | C1 | O | 179.3° | 180.0° |
C6 | C5 | C4 | H2 | 179.6° | 179.7° |
C7 | O1 | C6 | C1 | 177.7° | 180.0° |
O1 | C7 | H4 | H5 | 121.0° | 120.0° |
O1 | C7 | C8 | H6 | 64.8° | 175.0° |
O1 | C7 | C8 | H7 | 175.7° | 55.0° |
C3 | C2 | C1 | C6 | 0.1° | 0.0° |
C3 | C2 | C1 | H20 | 180.0° | 179.9° |
C3 | C2 | C1 | O | 178.7° | 180.0° |
C2 | C3 | C4 | H2 | 179.2° | 179.7° |
O1 | C6 | C1 | C2 | 179.5° | 179.9° |
O1 | C6 | C1 | O | 0.6° | 0.0° |
O1 | C6 | C5 | H3 | 0.4° | 0.0° |
C6 | O1 | C7 | H4 | 72.1° | 60.0° |
C6 | O1 | C7 | H5 | 48.6° | 60.0° |
C6 | C1 | C2 | O | 178.8° | 180.0° |
C6 | C1 | O | C | 169.6° | 180.0° |
C1 | C6 | C5 | H3 | 179.8° | 180.0° |
C6 | C1 | C2 | H20 | 179.9° | 180.0° |
C2 | C1 | O | C | 9.3° | 0.1° |
C1 | C2 | C3 | H19 | 179.3° | 180.0° |
C1 | O | C | H16 | 180.0° | 180.0° |
C1 | O | C | H17 | 60.0° | 60.1° |
C1 | O | C | H18 | 60.0° | 60.0° |
O | C1 | C2 | H20 | 1.3° | 0.1° |
O | C | H16 | H17 | 120.0° | 120.0° |
O | C | H16 | H18 | 120.0° | 120.1° |
O | C | H17 | H18 | 120.0° | 120.1° |
H2 | C4 | C5 | H3 | 0.4° | 0.3° |
H2 | C4 | C3 | H19 | 0.8° | 0.3° |
H4 | C7 | C8 | H6 | 54.9° | 55.0° |
H4 | C7 | C8 | H7 | 64.6° | 65.0° |
H5 | C7 | C8 | H6 | 175.5° | 65.1° |
H5 | C7 | C8 | H7 | 56.1° | 175.0° |
H6 | C8 | N | H15 | 91.7° | 120.0° |
H7 | C8 | N | H15 | 148.8° | 120.1° |
H8 | C15 | C16 | H13 | 0.9° | 0.1° |
H8 | C15 | C14 | H14 | 0.9° | 0.0° |
H10 | C18 | H11 | H12 | 120.0° | 120.0° |
H16 | C | H17 | H18 | 120.0° | 120.0° |
H19 | C3 | C2 | H20 | 0.7° | 0.1° |