V4H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C11 | sing | 1.47Å | 1.53Å | |
C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
C13 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.48Å | 1.54Å | |
O15 | C07 | doub | 1.22Å | 1.18Å | |
C07 | N06 | sing | 1.35Å | 1.46Å | |
N06 | C16 | sing | 1.47Å | 1.51Å | |
N06 | C05 | sing | 1.47Å | 1.52Å | |
C16 | C02 | sing | 1.53Å | 1.52Å | |
C05 | C04 | sing | 1.53Å | 1.53Å | |
O01 | C02 | sing | 1.43Å | 1.40Å | |
C02 | C03 | sing | 1.53Å | 1.49Å | |
C03 | C04 | sing | 1.53Å | 1.48Å | |
C02 | H1 | sing | 1.09Å | 1.10Å | |
C03 | H2 | sing | 1.09Å | 1.10Å | |
C03 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C09 | H8 | sing | 1.08Å | 1.08Å | |
C10 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
C16 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
O01 | H17 | sing | 0.97Å | 0.95Å | |
C14 | O1 | doub | 1.21Å | 1.42Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C11 | C12 | 121.0° | 120.0° |
C14 | C11 | C10 | 118.3° | 120.0° |
C11 | C14 | H12 | 121.2° | 120.0° |
C11 | C14 | O1 | 117.6° | 120.0° |
C11 | C12 | C13 | 120.0° | 119.9° |
C12 | C11 | C10 | 120.6° | 119.9° |
C11 | C12 | H10 | 120.0° | 120.0° |
C12 | C13 | C08 | 119.4° | 120.1° |
C13 | C12 | H10 | 120.0° | 120.0° |
C12 | C13 | H11 | 120.3° | 120.0° |
C11 | C10 | C09 | 119.4° | 120.0° |
C11 | C10 | H9 | 120.3° | 120.0° |
C13 | C08 | C09 | 120.8° | 120.0° |
C13 | C08 | C07 | 118.3° | 120.0° |
C08 | C13 | H11 | 120.3° | 119.9° |
C10 | C09 | C08 | 119.7° | 120.0° |
C10 | C09 | H8 | 120.2° | 120.0° |
C09 | C10 | H9 | 120.3° | 120.0° |
C09 | C08 | C07 | 120.9° | 120.0° |
C08 | C09 | H8 | 120.1° | 120.0° |
C08 | C07 | O15 | 118.9° | 120.0° |
C08 | C07 | N06 | 120.4° | 120.0° |
O15 | C07 | N06 | 120.7° | 120.1° |
C07 | N06 | C16 | 121.3° | 120.6° |
C07 | N06 | C05 | 122.7° | 120.7° |
C16 | N06 | C05 | 116.0° | 118.7° |
N06 | C16 | C02 | 114.5° | 108.8° |
N06 | C16 | H15 | 108.2° | 109.6° |
N06 | C16 | H16 | 108.2° | 109.7° |
N06 | C05 | C04 | 118.4° | 108.8° |
N06 | C05 | H6 | 107.2° | 109.6° |
N06 | C05 | H7 | 107.2° | 109.7° |
C16 | C02 | O01 | 106.6° | 109.5° |
C16 | C02 | C03 | 110.1° | 109.3° |
C16 | C02 | H1 | 109.1° | 109.5° |
C02 | C16 | H15 | 108.2° | 109.5° |
C02 | C16 | H16 | 108.2° | 109.6° |
C05 | C04 | C03 | 113.7° | 109.3° |
C05 | C04 | H4 | 108.4° | 109.5° |
C05 | C04 | H5 | 108.4° | 109.5° |
C04 | C05 | H6 | 107.2° | 109.6° |
C04 | C05 | H7 | 107.2° | 109.5° |
O01 | C02 | C03 | 110.8° | 109.5° |
O01 | C02 | H1 | 110.8° | 109.5° |
C02 | O01 | H17 | 109.5° | 114.0° |
C02 | C03 | C04 | 112.5° | 109.6° |
C03 | C02 | H1 | 109.5° | 109.5° |
C02 | C03 | H2 | 108.7° | 109.4° |
C02 | C03 | H3 | 108.7° | 109.4° |
C04 | C03 | H2 | 108.7° | 109.4° |
C04 | C03 | H3 | 108.7° | 109.5° |
C03 | C04 | H4 | 108.4° | 109.5° |
C03 | C04 | H5 | 108.4° | 109.5° |
H2 | C03 | H3 | 109.5° | 109.5° |
H4 | C04 | H5 | 109.5° | 109.5° |
H6 | C05 | H7 | 109.5° | 109.6° |
H12 | C14 | O1 | 121.2° | 120.0° |
H15 | C16 | H16 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C11 | C12 | C10 | 179.4° | 179.9° |
C14 | C11 | C12 | C13 | 179.6° | 179.8° |
C14 | C11 | C10 | C09 | 179.1° | 180.0° |
C14 | C11 | C10 | H9 | 0.9° | 0.0° |
C14 | C11 | C12 | H10 | 0.3° | 0.0° |
C11 | C14 | H12 | O1 | 180.0° | 179.9° |
C11 | C12 | C13 | H10 | 180.0° | 179.8° |
C11 | C12 | C13 | C08 | 0.2° | 0.5° |
C12 | C11 | C10 | C09 | 1.5° | 0.1° |
C12 | C11 | C10 | H9 | 178.5° | 180.0° |
C11 | C12 | C13 | H11 | 179.8° | 180.0° |
C12 | C11 | C14 | H12 | 170.9° | 0.1° |
C12 | C11 | C14 | O1 | 9.1° | 180.0° |
C13 | C12 | C11 | C10 | 1.0° | 0.3° |
C12 | C13 | C08 | H11 | 180.0° | 179.5° |
C12 | C13 | C08 | C09 | 0.2° | 0.6° |
C12 | C13 | C08 | C07 | 179.8° | 179.8° |
C11 | C10 | C09 | H9 | 180.0° | 180.0° |
C11 | C10 | C09 | C08 | 1.1° | 0.1° |
C11 | C10 | C09 | H8 | 178.8° | 180.0° |
C10 | C11 | C12 | H10 | 179.0° | 180.0° |
C10 | C11 | C14 | H12 | 8.5° | 180.0° |
C10 | C11 | C14 | O1 | 171.5° | 0.1° |
C13 | C08 | C09 | C10 | 0.3° | 0.4° |
C13 | C08 | C09 | C07 | 179.6° | 179.6° |
C13 | C08 | C07 | O15 | 75.3° | 138.5° |
C13 | C08 | C07 | N06 | 104.7° | 41.5° |
C13 | C08 | C09 | H8 | 179.7° | 179.7° |
C08 | C13 | C12 | H10 | 179.9° | 179.7° |
C10 | C09 | C08 | H8 | 180.0° | 179.9° |
C10 | C09 | C08 | C07 | 179.3° | 180.0° |
C09 | C08 | C07 | O15 | 105.1° | 41.2° |
C09 | C08 | C07 | N06 | 74.9° | 138.8° |
C08 | C09 | C10 | H9 | 178.8° | 179.9° |
C09 | C08 | C13 | H11 | 179.8° | 180.0° |
C08 | C07 | O15 | N06 | 180.0° | 180.0° |
C08 | C07 | N06 | C16 | 0.3° | 174.2° |
C08 | C07 | N06 | C05 | 179.7° | 5.8° |
C07 | C08 | C09 | H8 | 0.8° | 0.1° |
C07 | C08 | C13 | H11 | 0.3° | 0.3° |
O15 | C07 | N06 | C16 | 179.8° | 5.8° |
O15 | C07 | N06 | C05 | 0.3° | 174.2° |
C07 | N06 | C16 | C05 | 179.9° | 180.0° |
C07 | N06 | C16 | C02 | 178.7° | 126.4° |
C07 | N06 | C05 | C04 | 148.8° | 126.4° |
C07 | N06 | C05 | H6 | 89.9° | 113.8° |
C07 | N06 | C05 | H7 | 27.6° | 6.6° |
C07 | N06 | C16 | H15 | 58.0° | 6.6° |
C07 | N06 | C16 | H16 | 60.5° | 113.7° |
N06 | C16 | C02 | H15 | 120.7° | 119.8° |
N06 | C16 | C02 | H16 | 120.7° | 120.0° |
C16 | N06 | C05 | C04 | 31.1° | 53.6° |
N06 | C16 | C02 | O01 | 166.0° | 174.6° |
N06 | C16 | C02 | C03 | 45.8° | 54.6° |
N06 | C16 | C02 | H1 | 74.4° | 65.3° |
C16 | N06 | C05 | H6 | 90.2° | 66.2° |
C16 | N06 | C05 | H7 | 152.4° | 173.4° |
N06 | C16 | H15 | H16 | 117.7° | 120.4° |
C05 | N06 | C16 | C02 | 1.2° | 53.6° |
N06 | C05 | C04 | H6 | 121.3° | 119.8° |
N06 | C05 | C04 | H7 | 121.2° | 119.9° |
N06 | C05 | C04 | C03 | 12.2° | 54.6° |
N06 | C05 | C04 | H4 | 132.8° | 174.6° |
N06 | C05 | C04 | H5 | 108.5° | 65.3° |
N06 | C05 | H6 | H7 | 115.9° | 120.4° |
C05 | N06 | C16 | H15 | 121.9° | 173.4° |
C05 | N06 | C16 | H16 | 119.5° | 66.3° |
C16 | C02 | O01 | C03 | 119.8° | 119.8° |
C16 | C02 | O01 | H1 | 118.5° | 120.1° |
C16 | C02 | C03 | H1 | 119.9° | 119.9° |
C16 | C02 | C03 | C04 | 66.4° | 61.3° |
C16 | C02 | C03 | H2 | 54.1° | 58.7° |
C16 | C02 | C03 | H3 | 173.2° | 178.6° |
C02 | C16 | H15 | H16 | 117.7° | 120.3° |
C16 | C02 | O01 | H17 | 180.0° | 60.2° |
C05 | C04 | C03 | C02 | 36.1° | 61.3° |
C05 | C04 | C03 | H4 | 120.6° | 120.0° |
C05 | C04 | C03 | H5 | 120.6° | 120.0° |
C05 | C04 | C03 | H2 | 84.4° | 58.7° |
C05 | C04 | C03 | H3 | 156.5° | 178.6° |
C05 | C04 | H4 | H5 | 118.1° | 120.1° |
C04 | C05 | H6 | H7 | 116.0° | 120.2° |
O01 | C02 | C03 | H1 | 122.5° | 120.1° |
O01 | C02 | C03 | C04 | 176.0° | 178.7° |
O01 | C02 | C03 | H2 | 63.6° | 61.3° |
O01 | C02 | C03 | H3 | 55.5° | 58.6° |
O01 | C02 | C16 | H15 | 45.3° | 65.6° |
O01 | C02 | C16 | H16 | 73.3° | 54.7° |
C02 | C03 | C04 | H2 | 120.4° | 120.0° |
C02 | C03 | C04 | H3 | 120.4° | 120.0° |
C02 | C03 | H2 | H3 | 118.6° | 119.9° |
C02 | C03 | C04 | H4 | 84.6° | 178.7° |
C02 | C03 | C04 | H5 | 156.7° | 58.6° |
C03 | C02 | C16 | H15 | 74.9° | 174.4° |
C03 | C02 | C16 | H16 | 166.5° | 65.3° |
C03 | C02 | O01 | H17 | 60.2° | 180.0° |
C04 | C03 | C02 | H1 | 53.5° | 58.6° |
C04 | C03 | H2 | H3 | 118.6° | 120.0° |
C03 | C04 | H4 | H5 | 118.1° | 120.0° |
C03 | C04 | C05 | H6 | 109.1° | 65.2° |
C03 | C04 | C05 | H7 | 133.4° | 174.5° |
H1 | C02 | C03 | H2 | 174.0° | 178.6° |
H1 | C02 | C03 | H3 | 66.9° | 61.5° |
H1 | C02 | C16 | H15 | 164.9° | 54.5° |
H1 | C02 | C16 | H16 | 46.4° | 174.8° |
H1 | C02 | O01 | H17 | 61.5° | 59.9° |
H2 | C03 | C04 | H4 | 155.0° | 61.3° |
H2 | C03 | C04 | H5 | 36.2° | 178.6° |
H3 | C03 | C04 | H4 | 35.9° | 58.6° |
H3 | C03 | C04 | H5 | 82.9° | 61.4° |
H4 | C04 | C05 | H6 | 11.5° | 54.8° |
H4 | C04 | C05 | H7 | 106.0° | 65.5° |
H5 | C04 | C05 | H6 | 130.3° | 174.9° |
H5 | C04 | C05 | H7 | 12.8° | 54.6° |
H8 | C09 | C10 | H9 | 1.2° | 0.0° |
H10 | C12 | C13 | H11 | 0.2° | 0.2° |