H7C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O17 | C20 | sing | 1.43Å | 1.40Å | |
O17 | C09 | sing | 1.36Å | 1.41Å | |
C08 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
C08 | C07 | doub | 1.36Å | 1.38Å | Aromatic |
C09 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
C07 | C05 | sing | 1.41Å | 1.38Å | Aromatic |
C22 | N23 | sing | 1.47Å | 1.44Å | |
C22 | C21 | sing | 1.53Å | 1.50Å | |
N23 | C24 | sing | 1.47Å | 1.46Å | |
C10 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
C05 | C06 | doub | 1.42Å | 1.38Å | Aromatic |
C05 | N04 | sing | 1.33Å | 1.36Å | Aromatic |
C24 | C25 | sing | 1.53Å | 1.51Å | |
C06 | C01 | sing | 1.41Å | 1.37Å | Aromatic |
N04 | C03 | doub | 1.33Å | 1.35Å | Aromatic |
C25 | C16 | sing | 1.53Å | 1.54Å | |
C21 | C16 | sing | 1.53Å | 1.52Å | |
C01 | C02 | doub | 1.41Å | 1.37Å | Aromatic |
C01 | S15 | sing | 1.76Å | 1.81Å | |
C16 | S15 | sing | 1.81Å | 1.81Å | |
C03 | C02 | sing | 1.42Å | 1.39Å | Aromatic |
C03 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
C02 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
C14 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
C11 | C12 | doub | 1.37Å | 1.40Å | Aromatic |
C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
C12 | O18 | sing | 1.36Å | 1.41Å | |
O18 | C19 | sing | 1.43Å | 1.40Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C11 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C16 | H5 | sing | 1.09Å | 1.10Å | |
C19 | H6 | sing | 1.09Å | 1.10Å | |
C19 | H7 | sing | 1.09Å | 1.10Å | |
C19 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
C21 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C22 | H12 | sing | 1.09Å | 1.10Å | |
C24 | H13 | sing | 1.09Å | 1.10Å | |
C24 | H14 | sing | 1.09Å | 1.10Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C25 | H16 | sing | 1.09Å | 1.10Å | |
C07 | H17 | sing | 1.08Å | 1.08Å | |
C08 | H18 | sing | 1.08Å | 1.08Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.09Å | 1.10Å | |
N23 | H22 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C20 | O17 | C09 | 116.1° | 117.0° |
O17 | C20 | H19 | 109.5° | 109.4° |
O17 | C20 | H20 | 109.5° | 109.4° |
O17 | C20 | H21 | 109.5° | 109.5° |
O17 | C09 | C08 | 116.7° | 119.6° |
O17 | C09 | C10 | 124.0° | 119.6° |
C09 | C08 | C07 | 120.8° | 121.1° |
C08 | C09 | C10 | 119.4° | 120.7° |
C09 | C08 | H18 | 119.6° | 119.4° |
C08 | C07 | C05 | 120.4° | 119.9° |
C08 | C07 | H17 | 119.8° | 120.1° |
C07 | C08 | H18 | 119.6° | 119.5° |
C09 | C10 | C06 | 119.6° | 119.7° |
C09 | C10 | H1 | 120.2° | 120.2° |
C07 | C05 | C06 | 120.1° | 118.9° |
C07 | C05 | N04 | 118.3° | 120.4° |
C05 | C07 | H17 | 119.8° | 120.0° |
N23 | C22 | C21 | 105.4° | 109.5° |
C22 | N23 | C24 | 111.5° | 111.2° |
N23 | C22 | H11 | 110.5° | 109.5° |
N23 | C22 | H12 | 110.5° | 109.5° |
C22 | N23 | H22 | 109.0° | 111.0° |
C22 | C21 | C16 | 106.1° | 109.3° |
C22 | C21 | H9 | 110.3° | 109.5° |
C22 | C21 | H10 | 110.3° | 109.5° |
C21 | C22 | H11 | 110.5° | 109.4° |
C21 | C22 | H12 | 110.5° | 109.4° |
N23 | C24 | C25 | 108.6° | 109.5° |
N23 | C24 | H13 | 109.7° | 109.5° |
N23 | C24 | H14 | 109.7° | 109.4° |
C24 | N23 | H22 | 108.9° | 111.0° |
C10 | C06 | C05 | 119.8° | 119.7° |
C10 | C06 | C01 | 122.1° | 120.8° |
C06 | C10 | H1 | 120.2° | 120.2° |
C06 | C05 | N04 | 121.6° | 120.7° |
C05 | C06 | C01 | 118.1° | 119.5° |
C05 | N04 | C03 | 120.0° | 121.9° |
C24 | C25 | C16 | 113.0° | 109.3° |
C25 | C24 | H13 | 109.7° | 109.5° |
C25 | C24 | H14 | 109.7° | 109.5° |
C24 | C25 | H15 | 108.6° | 109.5° |
C24 | C25 | H16 | 108.6° | 109.5° |
C06 | C01 | C02 | 120.5° | 117.8° |
C06 | C01 | S15 | 121.3° | 121.2° |
N04 | C03 | C02 | 119.7° | 120.7° |
N04 | C03 | C14 | 119.7° | 120.3° |
C25 | C16 | C21 | 114.2° | 109.2° |
C25 | C16 | S15 | 104.8° | 109.5° |
C25 | C16 | H5 | 110.1° | 109.5° |
C16 | C25 | H15 | 108.6° | 109.5° |
C16 | C25 | H16 | 108.6° | 109.5° |
C21 | C16 | S15 | 109.8° | 109.5° |
C21 | C16 | H5 | 110.5° | 109.5° |
C16 | C21 | H9 | 110.3° | 109.5° |
C16 | C21 | H10 | 110.3° | 109.5° |
C02 | C01 | S15 | 118.1° | 121.1° |
C01 | C02 | C03 | 120.0° | 119.4° |
C01 | C02 | C11 | 119.8° | 120.9° |
C01 | S15 | C16 | 123.7° | 100.0° |
S15 | C16 | H5 | 107.0° | 109.5° |
C02 | C03 | C14 | 120.5° | 118.9° |
C03 | C02 | C11 | 120.2° | 119.7° |
C03 | C14 | C13 | 119.3° | 119.9° |
C03 | C14 | H4 | 120.4° | 120.1° |
C02 | C11 | C12 | 119.4° | 119.7° |
C02 | C11 | H2 | 120.3° | 120.2° |
C14 | C13 | C12 | 121.2° | 121.1° |
C14 | C13 | H3 | 119.4° | 119.4° |
C13 | C14 | H4 | 120.4° | 120.0° |
C11 | C12 | C13 | 119.5° | 120.7° |
C11 | C12 | O18 | 122.4° | 119.6° |
C12 | C11 | H2 | 120.3° | 120.1° |
C13 | C12 | O18 | 118.1° | 119.7° |
C12 | C13 | H3 | 119.4° | 119.4° |
C12 | O18 | C19 | 118.6° | 117.0° |
O18 | C19 | H6 | 109.5° | 109.5° |
O18 | C19 | H7 | 109.5° | 109.5° |
O18 | C19 | H8 | 109.5° | 109.5° |
H6 | C19 | H7 | 109.4° | 109.5° |
H6 | C19 | H8 | 109.5° | 109.4° |
H7 | C19 | H8 | 109.4° | 109.4° |
H9 | C21 | H10 | 109.5° | 109.5° |
H11 | C22 | H12 | 109.5° | 109.5° |
H13 | C24 | H14 | 109.5° | 109.5° |
H15 | C25 | H16 | 109.5° | 109.5° |
H19 | C20 | H20 | 109.5° | 109.5° |
H19 | C20 | H21 | 109.4° | 109.6° |
H20 | C20 | H21 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C20 | O17 | C09 | C08 | 165.0° | 0.0° |
C20 | O17 | C09 | C10 | 15.8° | 180.0° |
O17 | C20 | H19 | H20 | 120.0° | 119.9° |
O17 | C20 | H19 | H21 | 120.0° | 120.0° |
O17 | C20 | H20 | H21 | 120.0° | 120.0° |
O17 | C09 | C08 | C10 | 179.3° | 180.0° |
O17 | C09 | C08 | C07 | 179.8° | 179.6° |
O17 | C09 | C10 | C06 | 179.5° | 180.0° |
O17 | C09 | C10 | H1 | 0.4° | 0.2° |
O17 | C09 | C08 | H18 | 0.2° | 0.0° |
C09 | O17 | C20 | H19 | 180.0° | 60.0° |
C09 | O17 | C20 | H20 | 60.0° | 60.0° |
C09 | O17 | C20 | H21 | 60.0° | 180.0° |
C09 | C08 | C07 | H18 | 180.0° | 179.6° |
C09 | C08 | C07 | C05 | 0.6° | 0.7° |
C08 | C09 | C10 | C06 | 0.3° | 0.0° |
C08 | C09 | C10 | H1 | 179.6° | 179.7° |
C09 | C08 | C07 | H17 | 179.4° | 179.7° |
C07 | C08 | C09 | C10 | 0.5° | 0.5° |
C08 | C07 | C05 | H17 | 180.0° | 179.7° |
C08 | C07 | C05 | C06 | 0.4° | 0.4° |
C08 | C07 | C05 | N04 | 179.8° | 179.6° |
C09 | C10 | C06 | H1 | 180.0° | 179.7° |
C09 | C10 | C06 | C05 | 0.2° | 0.3° |
C09 | C10 | C06 | C01 | 178.7° | 179.8° |
C10 | C09 | C08 | H18 | 179.5° | 180.0° |
C07 | C05 | C06 | C10 | 0.2° | 0.1° |
C07 | C05 | C06 | N04 | 179.4° | 180.0° |
C07 | C05 | C06 | C01 | 178.7° | 180.0° |
C07 | C05 | N04 | C03 | 179.2° | 180.0° |
C05 | C07 | C08 | H18 | 179.4° | 179.8° |
N23 | C22 | C21 | H11 | 119.4° | 120.0° |
N23 | C22 | C21 | H12 | 119.3° | 120.0° |
C22 | N23 | C24 | H22 | 120.3° | 124.1° |
C22 | N23 | C24 | C25 | 29.8° | 61.7° |
N23 | C22 | C21 | C16 | 58.4° | 59.2° |
N23 | C22 | C21 | H9 | 177.9° | 179.1° |
N23 | C22 | C21 | H10 | 61.0° | 60.8° |
N23 | C22 | H11 | H12 | 121.9° | 120.0° |
C22 | N23 | C24 | H13 | 149.6° | 178.2° |
C22 | N23 | C24 | H14 | 90.1° | 58.2° |
C21 | C22 | N23 | C24 | 81.2° | 61.8° |
C22 | C21 | C16 | C25 | 2.4° | 57.6° |
C22 | C21 | C16 | H9 | 119.5° | 119.9° |
C22 | C21 | C16 | H10 | 119.5° | 120.0° |
C22 | C21 | C16 | S15 | 119.8° | 177.5° |
C22 | C21 | C16 | H5 | 122.4° | 62.3° |
C22 | C21 | H9 | H10 | 121.6° | 120.1° |
C21 | C22 | H11 | H12 | 121.9° | 119.9° |
C21 | C22 | N23 | H22 | 39.1° | 174.1° |
N23 | C24 | C25 | H13 | 119.9° | 120.1° |
N23 | C24 | C25 | H14 | 119.9° | 119.9° |
N23 | C24 | C25 | C16 | 32.2° | 59.1° |
C24 | N23 | C22 | H11 | 38.2° | 58.3° |
C24 | N23 | C22 | H12 | 159.5° | 178.3° |
N23 | C24 | H13 | H14 | 120.4° | 119.9° |
N23 | C24 | C25 | H15 | 152.7° | 60.8° |
N23 | C24 | C25 | H16 | 88.3° | 179.1° |
C10 | C06 | C05 | C01 | 178.9° | 179.9° |
C10 | C06 | C05 | N04 | 179.6° | 180.0° |
C10 | C06 | C01 | C02 | 179.6° | 180.0° |
C10 | C06 | C01 | S15 | 3.5° | 0.1° |
C06 | C05 | N04 | C03 | 0.2° | 0.0° |
C05 | C06 | C01 | C02 | 1.5° | 0.1° |
C05 | C06 | C01 | S15 | 177.6° | 180.0° |
C05 | C06 | C10 | H1 | 179.8° | 180.0° |
C06 | C05 | C07 | H17 | 179.6° | 180.0° |
N04 | C05 | C06 | C01 | 0.7° | 0.0° |
C05 | N04 | C03 | C02 | 0.5° | 0.0° |
C05 | N04 | C03 | C14 | 179.7° | 180.0° |
N04 | C05 | C07 | H17 | 0.2° | 0.1° |
C24 | C25 | C16 | H15 | 120.5° | 119.9° |
C24 | C25 | C16 | H16 | 120.5° | 120.0° |
C24 | C25 | C16 | C21 | 49.9° | 57.6° |
C24 | C25 | C16 | S15 | 170.1° | 177.6° |
C24 | C25 | C16 | H5 | 75.1° | 62.3° |
C25 | C24 | H13 | H14 | 120.5° | 120.0° |
C24 | C25 | H15 | H16 | 118.4° | 120.1° |
C25 | C24 | N23 | H22 | 90.5° | 174.1° |
C06 | C01 | C02 | S15 | 176.2° | 179.9° |
C06 | C01 | S15 | C16 | 93.0° | 90.0° |
C06 | C01 | C02 | C03 | 1.9° | 0.1° |
C06 | C01 | C02 | C11 | 178.9° | 180.0° |
C01 | C06 | C10 | H1 | 1.3° | 0.1° |
N04 | C03 | C02 | C01 | 1.4° | 0.0° |
N04 | C03 | C02 | C14 | 179.8° | 180.0° |
N04 | C03 | C02 | C11 | 179.4° | 180.0° |
N04 | C03 | C14 | C13 | 179.4° | 180.0° |
N04 | C03 | C14 | H4 | 0.6° | 0.0° |
C25 | C16 | C21 | S15 | 117.4° | 119.9° |
C25 | C16 | C21 | H5 | 124.8° | 119.9° |
C25 | C16 | S15 | C01 | 105.8° | 65.2° |
C25 | C16 | S15 | H5 | 116.9° | 120.1° |
C25 | C16 | C21 | H9 | 117.1° | 177.5° |
C25 | C16 | C21 | H10 | 121.9° | 62.4° |
C16 | C25 | C24 | H13 | 87.7° | 179.2° |
C16 | C25 | C24 | H14 | 152.0° | 60.8° |
C16 | C25 | H15 | H16 | 118.4° | 120.1° |
C21 | C16 | S15 | C01 | 17.3° | 175.1° |
C21 | C16 | S15 | H5 | 120.0° | 120.2° |
C16 | C21 | H9 | H10 | 121.6° | 120.1° |
C16 | C21 | C22 | H11 | 61.0° | 60.8° |
C16 | C21 | C22 | H12 | 177.7° | 179.2° |
C21 | C16 | C25 | H15 | 170.4° | 62.3° |
C21 | C16 | C25 | H16 | 70.6° | 177.6° |
C02 | C01 | S15 | C16 | 90.8° | 90.0° |
C01 | C02 | C03 | C11 | 179.2° | 179.9° |
C01 | C02 | C03 | C14 | 178.8° | 180.0° |
C01 | C02 | C11 | C12 | 178.9° | 179.9° |
C01 | C02 | C11 | H2 | 1.2° | 0.0° |
S15 | C01 | C02 | C03 | 178.1° | 180.0° |
S15 | C01 | C02 | C11 | 2.7° | 0.1° |
C01 | S15 | C16 | H5 | 137.3° | 55.0° |
S15 | C16 | C21 | H9 | 0.3° | 62.5° |
S15 | C16 | C21 | H10 | 120.8° | 57.5° |
S15 | C16 | C25 | H15 | 69.4° | 57.6° |
S15 | C16 | C25 | H16 | 49.6° | 62.5° |
C02 | C03 | C14 | C13 | 0.4° | 0.1° |
C03 | C02 | C11 | C12 | 0.4° | 0.0° |
C03 | C02 | C11 | H2 | 179.6° | 180.0° |
C02 | C03 | C14 | H4 | 179.6° | 180.0° |
C14 | C03 | C02 | C11 | 0.4° | 0.0° |
C03 | C14 | C13 | H4 | 180.0° | 179.9° |
C03 | C14 | C13 | C12 | 0.4° | 0.0° |
C03 | C14 | C13 | H3 | 179.6° | 179.9° |
C02 | C11 | C12 | H2 | 180.0° | 180.0° |
C02 | C11 | C12 | C13 | 0.4° | 0.0° |
C02 | C11 | C12 | O18 | 180.0° | 180.0° |
C14 | C13 | C12 | C11 | 0.4° | 0.0° |
C14 | C13 | C12 | H3 | 180.0° | 180.0° |
C14 | C13 | C12 | O18 | 180.0° | 180.0° |
C11 | C12 | C13 | O18 | 179.7° | 180.0° |
C11 | C12 | O18 | C19 | 10.5° | 180.0° |
C11 | C12 | C13 | H3 | 179.6° | 180.0° |
C13 | C12 | O18 | C19 | 169.8° | 0.0° |
C13 | C12 | C11 | H2 | 179.6° | 180.0° |
C12 | C13 | C14 | H4 | 179.6° | 180.0° |
O18 | C12 | C11 | H2 | 0.0° | 0.0° |
O18 | C12 | C13 | H3 | 0.1° | 0.0° |
C12 | O18 | C19 | H6 | 180.0° | 180.0° |
C12 | O18 | C19 | H7 | 60.0° | 60.0° |
C12 | O18 | C19 | H8 | 60.0° | 60.0° |
O18 | C19 | H6 | H7 | 120.0° | 120.1° |
O18 | C19 | H6 | H8 | 120.0° | 120.0° |
O18 | C19 | H7 | H8 | 120.0° | 120.0° |
H3 | C13 | C14 | H4 | 0.4° | 0.0° |
H5 | C16 | C21 | H9 | 118.2° | 57.6° |
H5 | C16 | C21 | H10 | 2.9° | 177.7° |
H5 | C16 | C25 | H15 | 45.4° | 177.7° |
H5 | C16 | C25 | H16 | 164.4° | 57.6° |
H6 | C19 | H7 | H8 | 120.0° | 119.9° |
H9 | C21 | C22 | H11 | 58.5° | 59.1° |
H9 | C21 | C22 | H12 | 62.8° | 60.9° |
H10 | C21 | C22 | H11 | 179.6° | 179.2° |
H10 | C21 | C22 | H12 | 58.3° | 59.3° |
H11 | C22 | N23 | H22 | 158.5° | 65.9° |
H12 | C22 | N23 | H22 | 80.2° | 54.1° |
H13 | C24 | C25 | H15 | 32.9° | 59.3° |
H13 | C24 | C25 | H16 | 151.8° | 60.8° |
H13 | C24 | N23 | H22 | 29.3° | 54.1° |
H14 | C24 | C25 | H15 | 87.4° | 179.2° |
H14 | C24 | C25 | H16 | 31.5° | 59.1° |
H14 | C24 | N23 | H22 | 149.6° | 65.9° |
H17 | C07 | C08 | H18 | 0.6° | 0.1° |
H19 | C20 | H20 | H21 | 120.0° | 120.1° |