L5L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C16 | C15 | doub | 1.33Å | 1.37Å | Aromatic |
C16 | C17 | sing | 1.39Å | 1.45Å | Aromatic |
C15 | S14 | sing | 1.76Å | 1.71Å | Aromatic |
C17 | C09 | sing | 1.52Å | 1.52Å | |
C17 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
C09 | N10 | sing | 1.47Å | 1.49Å | |
C09 | C06 | sing | 1.51Å | 1.54Å | |
S14 | C13 | sing | 1.76Å | 1.74Å | Aromatic |
C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | C12 | sing | 1.51Å | 1.47Å | |
N10 | C11 | sing | 1.47Å | 1.48Å | |
C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.53Å | 1.54Å | |
C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
C03 | O02 | sing | 1.36Å | 1.39Å | |
O02 | C01 | sing | 1.43Å | 1.41Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
C08 | H7 | sing | 1.08Å | 1.08Å | |
C09 | H8 | sing | 1.09Å | 1.10Å | |
C11 | H9 | sing | 1.09Å | 1.10Å | |
C11 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C15 | H13 | sing | 1.08Å | 1.08Å | |
C16 | H14 | sing | 1.08Å | 1.08Å | |
N10 | H15 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | C16 | C17 | 113.3° | 115.6° |
C16 | C15 | S14 | 110.9° | 109.6° |
C16 | C15 | H13 | 124.5° | 125.2° |
C15 | C16 | H14 | 123.4° | 122.2° |
C16 | C17 | C09 | 126.0° | 124.2° |
C16 | C17 | C13 | 111.7° | 113.7° |
C17 | C16 | H14 | 123.3° | 122.2° |
C15 | S14 | C13 | 92.5° | 91.0° |
S14 | C15 | H13 | 124.6° | 125.2° |
C09 | C17 | C13 | 122.3° | 122.1° |
C17 | C09 | N10 | 109.9° | 108.6° |
C17 | C09 | C06 | 116.5° | 109.6° |
C17 | C09 | H8 | 106.6° | 109.7° |
C17 | C13 | S14 | 111.6° | 110.1° |
C17 | C13 | C12 | 123.0° | 124.0° |
N10 | C09 | C06 | 110.1° | 109.7° |
C09 | N10 | C11 | 113.2° | 111.4° |
N10 | C09 | H8 | 106.9° | 109.6° |
C09 | N10 | H15 | 108.5° | 111.0° |
C09 | C06 | C07 | 122.0° | 120.0° |
C09 | C06 | C05 | 121.3° | 119.9° |
C06 | C09 | H8 | 106.3° | 109.6° |
S14 | C13 | C12 | 125.4° | 126.0° |
C06 | C07 | C08 | 122.1° | 120.1° |
C07 | C06 | C05 | 116.7° | 120.1° |
C06 | C07 | H6 | 118.9° | 119.9° |
C07 | C08 | C03 | 119.8° | 119.9° |
C08 | C07 | H6 | 118.9° | 120.0° |
C07 | C08 | H7 | 120.1° | 120.1° |
C13 | C12 | C11 | 113.7° | 108.1° |
C13 | C12 | H11 | 108.4° | 109.7° |
C13 | C12 | H12 | 108.4° | 109.8° |
N10 | C11 | C12 | 110.3° | 109.1° |
N10 | C11 | H9 | 109.3° | 109.6° |
N10 | C11 | H10 | 109.2° | 109.5° |
C11 | N10 | H15 | 108.6° | 111.0° |
C06 | C05 | C04 | 122.0° | 120.0° |
C06 | C05 | H5 | 119.0° | 120.0° |
C08 | C03 | C04 | 119.1° | 119.9° |
C08 | C03 | O02 | 120.5° | 120.0° |
C03 | C08 | H7 | 120.1° | 120.0° |
C12 | C11 | H9 | 109.3° | 109.5° |
C12 | C11 | H10 | 109.3° | 109.6° |
C11 | C12 | H11 | 108.4° | 109.7° |
C11 | C12 | H12 | 108.4° | 109.8° |
C05 | C04 | C03 | 120.3° | 120.0° |
C05 | C04 | H4 | 119.9° | 120.0° |
C04 | C05 | H5 | 119.0° | 120.0° |
C04 | C03 | O02 | 120.4° | 120.1° |
C03 | C04 | H4 | 119.8° | 120.0° |
C03 | O02 | C01 | 117.0° | 117.0° |
O02 | C01 | H1 | 109.5° | 109.4° |
O02 | C01 | H2 | 109.5° | 109.5° |
O02 | C01 | H3 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.4° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H9 | C11 | H10 | 109.5° | 109.6° |
H11 | C12 | H12 | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | C16 | C17 | H14 | 180.0° | 180.0° |
C16 | C15 | S14 | H13 | 180.0° | 180.0° |
C15 | C16 | C17 | C09 | 179.9° | 179.9° |
C15 | C16 | C17 | C13 | 0.1° | 0.1° |
C16 | C15 | S14 | C13 | 0.0° | 0.0° |
C17 | C16 | C15 | S14 | 0.1° | 0.0° |
C16 | C17 | C09 | C13 | 179.8° | 179.9° |
C16 | C17 | C09 | N10 | 160.8° | 162.6° |
C16 | C17 | C09 | C06 | 73.2° | 42.8° |
C16 | C17 | C13 | S14 | 0.1° | 0.1° |
C16 | C17 | C13 | C12 | 180.0° | 180.0° |
C16 | C17 | C09 | H8 | 45.3° | 77.6° |
C17 | C16 | C15 | H13 | 180.0° | 180.0° |
C15 | S14 | C13 | C17 | 0.0° | 0.0° |
C15 | S14 | C13 | C12 | 180.0° | 180.0° |
S14 | C15 | C16 | H14 | 179.9° | 180.0° |
C17 | C09 | N10 | C06 | 129.6° | 119.7° |
C17 | C09 | N10 | H8 | 115.3° | 119.9° |
C17 | C09 | C06 | H8 | 118.6° | 120.5° |
C09 | C17 | C13 | S14 | 179.9° | 179.9° |
C17 | C09 | C06 | C07 | 152.6° | 79.2° |
C09 | C17 | C13 | C12 | 0.2° | 0.1° |
C17 | C09 | N10 | C11 | 50.1° | 52.7° |
C17 | C09 | C06 | C05 | 26.8° | 100.9° |
C09 | C17 | C16 | H14 | 0.1° | 0.1° |
C17 | C09 | N10 | H15 | 70.5° | 176.8° |
C13 | C17 | C09 | N10 | 19.0° | 17.3° |
C13 | C17 | C09 | C06 | 107.0° | 137.1° |
C17 | C13 | S14 | C12 | 179.9° | 179.9° |
C17 | C13 | C12 | C11 | 10.1° | 15.6° |
C13 | C17 | C09 | H8 | 134.5° | 102.5° |
C17 | C13 | C12 | H11 | 130.7° | 135.1° |
C17 | C13 | C12 | H12 | 110.6° | 104.2° |
C13 | C17 | C16 | H14 | 179.9° | 180.0° |
N10 | C09 | C06 | H8 | 115.4° | 120.4° |
N10 | C09 | C06 | C07 | 81.4° | 39.9° |
C09 | N10 | C11 | H15 | 120.6° | 124.1° |
N10 | C09 | C06 | C05 | 99.1° | 140.0° |
C09 | N10 | C11 | C12 | 61.5° | 71.9° |
C09 | N10 | C11 | H9 | 178.4° | 168.2° |
C09 | N10 | C11 | H10 | 58.6° | 48.0° |
C09 | C06 | C07 | C05 | 179.5° | 179.9° |
C09 | C06 | C07 | C08 | 179.7° | 179.7° |
C06 | C09 | N10 | C11 | 79.5° | 172.4° |
C09 | C06 | C05 | C04 | 179.7° | 180.0° |
C09 | C06 | C05 | H5 | 0.3° | 0.1° |
C09 | C06 | C07 | H6 | 0.3° | 0.1° |
C06 | C09 | N10 | H15 | 159.9° | 63.5° |
S14 | C13 | C12 | C11 | 169.9° | 164.5° |
S14 | C13 | C12 | H11 | 49.2° | 44.9° |
S14 | C13 | C12 | H12 | 69.5° | 75.7° |
C13 | S14 | C15 | H13 | 180.0° | 180.0° |
C06 | C07 | C08 | H6 | 180.0° | 179.8° |
C06 | C07 | C08 | C03 | 0.0° | 0.5° |
C07 | C06 | C05 | C04 | 0.2° | 0.1° |
C07 | C06 | C05 | H5 | 179.8° | 180.0° |
C06 | C07 | C08 | H7 | 180.0° | 180.0° |
C07 | C06 | C09 | H8 | 34.0° | 160.3° |
C08 | C07 | C06 | C05 | 0.2° | 0.2° |
C07 | C08 | C03 | H7 | 180.0° | 179.5° |
C07 | C08 | C03 | C04 | 0.3° | 0.5° |
C07 | C08 | C03 | O02 | 179.8° | 179.8° |
C13 | C12 | C11 | N10 | 39.4° | 48.8° |
C13 | C12 | C11 | H11 | 120.6° | 119.6° |
C13 | C12 | C11 | H12 | 120.6° | 119.7° |
C13 | C12 | C11 | H9 | 159.6° | 168.7° |
C13 | C12 | C11 | H10 | 80.7° | 71.1° |
C13 | C12 | H11 | H12 | 118.1° | 120.7° |
N10 | C11 | C12 | H9 | 120.1° | 119.9° |
N10 | C11 | C12 | H10 | 120.1° | 119.9° |
C11 | N10 | C09 | H8 | 165.4° | 67.2° |
N10 | C11 | H9 | H10 | 119.6° | 120.2° |
N10 | C11 | C12 | H11 | 160.1° | 168.4° |
N10 | C11 | C12 | H12 | 81.2° | 70.9° |
C06 | C05 | C04 | H5 | 180.0° | 179.8° |
C06 | C05 | C04 | C03 | 0.1° | 0.1° |
C06 | C05 | C04 | H4 | 179.9° | 180.0° |
C05 | C06 | C07 | H6 | 179.8° | 180.0° |
C05 | C06 | C09 | H8 | 145.4° | 19.6° |
C08 | C03 | C04 | C05 | 0.4° | 0.2° |
C08 | C03 | C04 | O02 | 179.5° | 179.7° |
C08 | C03 | O02 | C01 | 140.1° | 0.3° |
C08 | C03 | C04 | H4 | 179.6° | 179.7° |
C03 | C08 | C07 | H6 | 180.0° | 179.7° |
C12 | C11 | H9 | H10 | 119.7° | 120.2° |
C11 | C12 | H11 | H12 | 118.1° | 120.7° |
C12 | C11 | N10 | H15 | 59.1° | 164.0° |
C05 | C04 | C03 | H4 | 180.0° | 179.9° |
C05 | C04 | C03 | O02 | 179.9° | 179.9° |
C04 | C03 | O02 | C01 | 40.4° | 180.0° |
C03 | C04 | C05 | H5 | 179.8° | 179.9° |
C04 | C03 | C08 | H7 | 179.7° | 180.0° |
C03 | O02 | C01 | H1 | 180.0° | 60.0° |
C03 | O02 | C01 | H2 | 60.0° | 180.0° |
C03 | O02 | C01 | H3 | 60.0° | 60.0° |
O02 | C03 | C04 | H4 | 0.2° | 0.0° |
O02 | C03 | C08 | H7 | 0.2° | 0.3° |
O02 | C01 | H1 | H2 | 120.0° | 120.0° |
O02 | C01 | H1 | H3 | 120.0° | 120.0° |
O02 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.1° |
H4 | C04 | C05 | H5 | 0.1° | 0.1° |
H6 | C07 | C08 | H7 | 0.0° | 0.2° |
H8 | C09 | N10 | H15 | 44.8° | 56.9° |
H9 | C11 | C12 | H11 | 79.8° | 71.7° |
H9 | C11 | C12 | H12 | 38.9° | 49.0° |
H9 | C11 | N10 | H15 | 61.0° | 44.1° |
H10 | C11 | C12 | H11 | 40.0° | 48.5° |
H10 | C11 | C12 | H12 | 158.7° | 169.2° |
H10 | C11 | N10 | H15 | 179.2° | 76.1° |
H13 | C15 | C16 | H14 | 0.1° | 0.0° |