H6V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C26 | sing | 1.53Å | 1.49Å | |
C27 | C28 | sing | 1.53Å | 1.49Å | |
C26 | C25 | sing | 1.53Å | 1.53Å | |
C28 | C29 | sing | 1.53Å | 1.53Å | |
C25 | N24 | sing | 1.47Å | 1.49Å | |
C29 | N24 | sing | 1.47Å | 1.49Å | |
N24 | C23 | sing | 1.47Å | 1.45Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C22 | O21 | sing | 1.43Å | 1.40Å | |
C07 | C06 | sing | 1.45Å | 1.44Å | Aromatic |
C07 | C08 | doub | 1.32Å | 1.39Å | Aromatic |
N31 | C06 | doub | 1.34Å | 1.33Å | Aromatic |
N31 | C32 | sing | 1.31Å | 1.32Å | Aromatic |
C09 | O21 | sing | 1.43Å | 1.40Å | |
C09 | C08 | sing | 1.51Å | 1.52Å | |
C09 | C10 | sing | 1.51Å | 1.51Å | |
C06 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
C08 | S30 | sing | 1.75Å | 1.71Å | Aromatic |
C20 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C20 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
N15 | C14 | sing | 1.40Å | 1.45Å | |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C05 | S30 | sing | 1.76Å | 1.70Å | Aromatic |
C05 | C04 | doub | 1.41Å | 1.38Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C33 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C04 | C02 | sing | 1.48Å | 1.53Å | |
C02 | O03 | doub | 1.21Å | 1.26Å | |
C02 | O01 | sing | 1.35Å | 1.26Å | |
C07 | H1 | sing | 1.08Å | 1.08Å | |
C09 | H2 | sing | 1.09Å | 1.10Å | |
C11 | H3 | sing | 1.08Å | 1.08Å | |
C12 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.08Å | 1.08Å | |
C20 | H6 | sing | 1.08Å | 1.08Å | |
C22 | H7 | sing | 1.09Å | 1.10Å | |
C22 | H8 | sing | 1.09Å | 1.10Å | |
C23 | H9 | sing | 1.09Å | 1.10Å | |
C23 | H10 | sing | 1.09Å | 1.10Å | |
C25 | H11 | sing | 1.09Å | 1.10Å | |
C25 | H12 | sing | 1.09Å | 1.10Å | |
C26 | H13 | sing | 1.09Å | 1.10Å | |
C26 | H14 | sing | 1.09Å | 1.10Å | |
C27 | H15 | sing | 1.09Å | 1.10Å | |
C27 | H16 | sing | 1.09Å | 1.10Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
C28 | H18 | sing | 1.09Å | 1.10Å | |
C29 | H19 | sing | 1.09Å | 1.10Å | |
C29 | H20 | sing | 1.09Å | 1.10Å | |
C32 | H21 | sing | 1.08Å | 1.08Å | |
C33 | H22 | sing | 1.08Å | 1.08Å | |
N15 | H23 | sing | 0.97Å | 1.00Å | |
N15 | H24 | sing | 0.97Å | 1.00Å | |
O01 | H26 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | C27 | C28 | 111.2° | 109.2° |
C27 | C26 | C25 | 111.7° | 109.3° |
C27 | C26 | H13 | 108.9° | 109.6° |
C27 | C26 | H14 | 108.9° | 109.6° |
C26 | C27 | H15 | 109.0° | 109.5° |
C26 | C27 | H16 | 109.0° | 109.5° |
C27 | C28 | C29 | 111.5° | 109.3° |
C28 | C27 | H15 | 109.0° | 109.5° |
C28 | C27 | H16 | 109.0° | 109.5° |
C27 | C28 | H17 | 109.0° | 109.5° |
C27 | C28 | H18 | 109.0° | 109.5° |
C26 | C25 | N24 | 112.8° | 109.5° |
C26 | C25 | H11 | 108.6° | 109.5° |
C26 | C25 | H12 | 108.6° | 109.4° |
C25 | C26 | H13 | 108.9° | 109.5° |
C25 | C26 | H14 | 108.9° | 109.4° |
C28 | C29 | N24 | 112.6° | 109.5° |
C29 | C28 | H17 | 109.0° | 109.5° |
C29 | C28 | H18 | 109.0° | 109.5° |
C28 | C29 | H19 | 108.7° | 109.4° |
C28 | C29 | H20 | 108.7° | 109.5° |
C25 | N24 | C29 | 111.3° | 111.2° |
C25 | N24 | C23 | 108.5° | 111.0° |
N24 | C25 | H11 | 108.6° | 109.5° |
N24 | C25 | H12 | 108.6° | 109.5° |
C29 | N24 | C23 | 107.6° | 111.0° |
N24 | C29 | H19 | 108.7° | 109.4° |
N24 | C29 | H20 | 108.7° | 109.5° |
N24 | C23 | C22 | 108.1° | 109.5° |
N24 | C23 | H9 | 109.8° | 109.4° |
N24 | C23 | H10 | 109.8° | 109.5° |
C23 | C22 | O21 | 107.4° | 109.5° |
C23 | C22 | H7 | 110.0° | 109.5° |
C23 | C22 | H8 | 110.0° | 109.5° |
C22 | C23 | H9 | 109.8° | 109.4° |
C22 | C23 | H10 | 109.8° | 109.5° |
C22 | O21 | C09 | 113.1° | 114.0° |
O21 | C22 | H7 | 110.0° | 109.5° |
O21 | C22 | H8 | 110.0° | 109.5° |
C06 | C07 | C08 | 111.5° | 115.0° |
C07 | C06 | N31 | 124.6° | 129.1° |
C07 | C06 | C05 | 113.3° | 111.6° |
C06 | C07 | H1 | 124.3° | 122.5° |
C07 | C08 | C09 | 124.9° | 124.3° |
C07 | C08 | S30 | 111.1° | 111.4° |
C08 | C07 | H1 | 124.3° | 122.5° |
C06 | N31 | C32 | 120.0° | 122.5° |
N31 | C06 | C05 | 122.0° | 119.3° |
N31 | C32 | C33 | 121.1° | 121.6° |
N31 | C32 | H21 | 119.5° | 119.2° |
O21 | C09 | C08 | 105.6° | 109.5° |
O21 | C09 | C10 | 107.4° | 109.5° |
O21 | C09 | H2 | 113.4° | 109.5° |
C08 | C09 | C10 | 107.1° | 109.4° |
C09 | C08 | S30 | 124.0° | 124.3° |
C08 | C09 | H2 | 111.4° | 109.5° |
C09 | C10 | C20 | 119.0° | 120.0° |
C09 | C10 | C11 | 120.2° | 119.9° |
C10 | C09 | H2 | 111.5° | 109.4° |
C06 | C05 | S30 | 109.8° | 109.8° |
C06 | C05 | C04 | 119.3° | 119.3° |
C08 | S30 | C05 | 94.3° | 92.2° |
C10 | C20 | C14 | 119.6° | 119.9° |
C20 | C10 | C11 | 120.8° | 120.1° |
C10 | C20 | H6 | 120.2° | 120.1° |
C20 | C14 | N15 | 118.9° | 120.1° |
C20 | C14 | C13 | 120.2° | 119.8° |
C14 | C20 | H6 | 120.2° | 120.0° |
C32 | C33 | C04 | 120.0° | 119.0° |
C33 | C32 | H21 | 119.4° | 119.2° |
C32 | C33 | H22 | 120.0° | 120.5° |
N15 | C14 | C13 | 120.9° | 120.0° |
C14 | N15 | H23 | 109.5° | 120.0° |
C14 | N15 | H24 | 109.5° | 119.9° |
C10 | C11 | C12 | 119.3° | 120.2° |
C10 | C11 | H3 | 120.4° | 119.9° |
C14 | C13 | C12 | 119.8° | 119.9° |
C14 | C13 | H5 | 120.1° | 120.0° |
S30 | C05 | C04 | 130.9° | 130.9° |
C05 | C04 | C33 | 117.5° | 118.3° |
C05 | C04 | C02 | 119.2° | 120.9° |
C11 | C12 | C13 | 120.4° | 120.1° |
C12 | C11 | H3 | 120.4° | 119.9° |
C11 | C12 | H4 | 119.8° | 120.0° |
C33 | C04 | C02 | 123.3° | 120.9° |
C04 | C33 | H22 | 120.0° | 120.5° |
C13 | C12 | H4 | 119.8° | 119.9° |
C12 | C13 | H5 | 120.2° | 120.1° |
C04 | C02 | O03 | 119.2° | 120.0° |
C04 | C02 | O01 | 121.1° | 120.0° |
O03 | C02 | O01 | 119.8° | 120.0° |
C02 | O01 | H26 | 109.5° | 117.0° |
H7 | C22 | H8 | 109.5° | 109.5° |
H9 | C23 | H10 | 109.5° | 109.5° |
H11 | C25 | H12 | 109.5° | 109.5° |
H13 | C26 | H14 | 109.5° | 109.5° |
H15 | C27 | H16 | 109.5° | 109.6° |
H17 | C28 | H18 | 109.5° | 109.5° |
H19 | C29 | H20 | 109.5° | 109.5° |
H23 | N15 | H24 | 109.4° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | C27 | C28 | H15 | 120.2° | 119.9° |
C26 | C27 | C28 | H16 | 120.2° | 119.9° |
C27 | C26 | C25 | H13 | 120.3° | 120.0° |
C27 | C26 | C25 | H14 | 120.3° | 120.0° |
C26 | C27 | C28 | C29 | 55.2° | 57.7° |
C27 | C26 | C25 | N24 | 53.3° | 59.2° |
C27 | C26 | C25 | H11 | 173.8° | 179.2° |
C27 | C26 | C25 | H12 | 67.2° | 60.8° |
C27 | C26 | H13 | H14 | 119.0° | 120.2° |
C26 | C27 | H15 | H16 | 119.2° | 120.2° |
C26 | C27 | C28 | H17 | 175.5° | 177.6° |
C26 | C27 | C28 | H18 | 65.1° | 62.3° |
C28 | C27 | C26 | C25 | 54.6° | 57.7° |
C27 | C28 | C29 | H17 | 120.3° | 119.9° |
C27 | C28 | C29 | H18 | 120.3° | 120.0° |
C27 | C28 | C29 | N24 | 54.6° | 59.2° |
C28 | C27 | C26 | H13 | 65.8° | 177.6° |
C28 | C27 | C26 | H14 | 174.9° | 62.2° |
C28 | C27 | H15 | H16 | 119.2° | 120.1° |
C27 | C28 | H17 | H18 | 119.1° | 120.1° |
C27 | C28 | C29 | H19 | 65.9° | 60.8° |
C27 | C28 | C29 | H20 | 175.1° | 179.2° |
C26 | C25 | N24 | H11 | 120.5° | 120.1° |
C26 | C25 | N24 | H12 | 120.5° | 120.0° |
C26 | C25 | N24 | C29 | 51.8° | 61.7° |
C26 | C25 | N24 | C23 | 169.9° | 174.2° |
C26 | C25 | H11 | H12 | 118.5° | 119.9° |
C25 | C26 | H13 | H14 | 119.0° | 120.0° |
C25 | C26 | C27 | H15 | 65.7° | 62.3° |
C25 | C26 | C27 | H16 | 174.8° | 177.5° |
C28 | C29 | N24 | C25 | 52.4° | 61.7° |
C28 | C29 | N24 | H19 | 120.4° | 120.0° |
C28 | C29 | N24 | H20 | 120.5° | 120.0° |
C28 | C29 | N24 | C23 | 171.1° | 174.2° |
C29 | C28 | C27 | H15 | 65.1° | 62.3° |
C29 | C28 | C27 | H16 | 175.4° | 177.5° |
C29 | C28 | H17 | H18 | 119.1° | 120.1° |
C28 | C29 | H19 | H20 | 118.6° | 119.9° |
C25 | N24 | C29 | C23 | 118.7° | 124.1° |
C25 | N24 | C23 | C22 | 64.5° | 170.0° |
C25 | N24 | C23 | H9 | 175.7° | 70.1° |
C25 | N24 | C23 | H10 | 55.3° | 50.0° |
N24 | C25 | H11 | H12 | 118.5° | 120.0° |
N24 | C25 | C26 | H13 | 67.0° | 179.2° |
N24 | C25 | C26 | H14 | 173.6° | 60.8° |
C25 | N24 | C29 | H19 | 68.0° | 58.3° |
C25 | N24 | C29 | H20 | 172.9° | 178.3° |
C29 | N24 | C23 | C22 | 56.0° | 65.7° |
C29 | N24 | C23 | H9 | 63.8° | 54.2° |
C29 | N24 | C23 | H10 | 175.8° | 174.2° |
C29 | N24 | C25 | H11 | 172.3° | 178.3° |
C29 | N24 | C25 | H12 | 68.7° | 58.3° |
N24 | C29 | C28 | H17 | 174.9° | 179.1° |
N24 | C29 | C28 | H18 | 65.7° | 60.8° |
N24 | C29 | H19 | H20 | 118.6° | 120.0° |
N24 | C23 | C22 | H9 | 119.8° | 119.9° |
N24 | C23 | C22 | H10 | 119.8° | 120.1° |
N24 | C23 | C22 | O21 | 116.0° | 65.0° |
N24 | C23 | C22 | H7 | 124.4° | 175.0° |
N24 | C23 | C22 | H8 | 3.7° | 55.0° |
N24 | C23 | H9 | H10 | 120.6° | 120.0° |
C23 | N24 | C25 | H11 | 69.6° | 54.1° |
C23 | N24 | C25 | H12 | 49.4° | 65.9° |
C23 | N24 | C29 | H19 | 50.7° | 65.9° |
C23 | N24 | C29 | H20 | 68.4° | 54.1° |
C23 | C22 | O21 | H7 | 119.7° | 120.0° |
C23 | C22 | O21 | H8 | 119.7° | 120.0° |
C23 | C22 | O21 | C09 | 170.8° | 180.0° |
C23 | C22 | H7 | H8 | 121.0° | 120.0° |
C22 | C23 | H9 | H10 | 120.6° | 120.0° |
C22 | O21 | C09 | C08 | 146.2° | 150.0° |
C22 | O21 | C09 | C10 | 99.8° | 90.0° |
C22 | O21 | C09 | H2 | 23.9° | 30.0° |
O21 | C22 | H7 | H8 | 120.9° | 120.0° |
O21 | C22 | C23 | H9 | 3.8° | 175.0° |
O21 | C22 | C23 | H10 | 124.2° | 55.0° |
C06 | C07 | C08 | H1 | 180.0° | 180.0° |
C07 | C06 | N31 | C05 | 178.6° | 180.0° |
C07 | C06 | N31 | C32 | 179.8° | 179.7° |
C06 | C07 | C08 | C09 | 179.4° | 180.0° |
C06 | C07 | C08 | S30 | 1.1° | 0.1° |
C07 | C06 | C05 | S30 | 0.1° | 0.0° |
C07 | C06 | C05 | C04 | 179.8° | 180.0° |
C08 | C07 | C06 | N31 | 179.4° | 180.0° |
C07 | C08 | C09 | O21 | 118.1° | 140.0° |
C07 | C08 | C09 | S30 | 179.5° | 179.9° |
C07 | C08 | C09 | C10 | 127.7° | 100.0° |
C08 | C07 | C06 | C05 | 0.7° | 0.0° |
C07 | C08 | S30 | C05 | 1.0° | 0.1° |
C07 | C08 | C09 | H2 | 5.4° | 19.9° |
C06 | N31 | C32 | C33 | 0.9° | 0.3° |
N31 | C06 | C05 | S30 | 178.6° | 180.0° |
N31 | C06 | C05 | C04 | 1.4° | 0.0° |
N31 | C06 | C07 | H1 | 0.6° | 0.0° |
C06 | N31 | C32 | H21 | 179.1° | 179.7° |
C32 | N31 | C06 | C05 | 1.6° | 0.3° |
N31 | C32 | C33 | H21 | 180.0° | 180.0° |
N31 | C32 | C33 | C04 | 0.0° | 0.0° |
N31 | C32 | C33 | H22 | 180.0° | 180.0° |
O21 | C09 | C08 | C10 | 114.2° | 120.0° |
O21 | C09 | C08 | H2 | 123.5° | 120.1° |
O21 | C09 | C10 | H2 | 124.8° | 120.0° |
O21 | C09 | C08 | S30 | 62.4° | 39.9° |
O21 | C09 | C10 | C20 | 155.8° | 144.7° |
O21 | C09 | C10 | C11 | 23.9° | 35.0° |
C09 | O21 | C22 | H7 | 69.5° | 60.0° |
C09 | O21 | C22 | H8 | 51.1° | 60.0° |
C08 | C09 | C10 | H2 | 122.1° | 119.9° |
C08 | C09 | C10 | C20 | 91.1° | 95.3° |
C08 | C09 | C10 | C11 | 89.2° | 85.0° |
C09 | C08 | S30 | C05 | 179.4° | 180.0° |
C09 | C08 | C07 | H1 | 0.7° | 0.1° |
C10 | C09 | C08 | S30 | 51.8° | 80.1° |
C09 | C10 | C20 | C11 | 179.7° | 179.7° |
C09 | C10 | C20 | C14 | 179.2° | 179.8° |
C09 | C10 | C11 | C12 | 179.8° | 180.0° |
C09 | C10 | C11 | H3 | 0.2° | 0.0° |
C09 | C10 | C20 | H6 | 0.8° | 0.0° |
C06 | C05 | S30 | C08 | 0.7° | 0.1° |
C06 | C05 | S30 | C04 | 179.9° | 179.9° |
C06 | C05 | C04 | C33 | 0.6° | 0.2° |
C06 | C05 | C04 | C02 | 179.6° | 180.0° |
C05 | C06 | C07 | H1 | 179.3° | 180.0° |
C08 | S30 | C05 | C04 | 179.3° | 180.0° |
S30 | C08 | C07 | H1 | 178.8° | 180.0° |
S30 | C08 | C09 | H2 | 174.0° | 160.0° |
C10 | C20 | C14 | H6 | 180.0° | 179.8° |
C10 | C20 | C14 | N15 | 179.8° | 179.7° |
C10 | C20 | C14 | C13 | 1.1° | 0.5° |
C20 | C10 | C11 | C12 | 0.1° | 0.3° |
C20 | C10 | C09 | H2 | 31.0° | 24.7° |
C20 | C10 | C11 | H3 | 179.9° | 179.8° |
C20 | C14 | N15 | C13 | 178.6° | 179.8° |
C14 | C20 | C10 | C11 | 0.5° | 0.5° |
C20 | C14 | C13 | C12 | 1.2° | 0.2° |
C20 | C14 | C13 | H5 | 178.8° | 179.8° |
C20 | C14 | N15 | H23 | 180.0° | 179.8° |
C20 | C14 | N15 | H24 | 60.0° | 0.2° |
C32 | C33 | C04 | C05 | 0.1° | 0.2° |
C32 | C33 | C04 | H22 | 180.0° | 180.0° |
C32 | C33 | C04 | C02 | 179.7° | 180.0° |
N15 | C14 | C13 | C12 | 179.8° | 179.9° |
N15 | C14 | C13 | H5 | 0.2° | 0.0° |
N15 | C14 | C20 | H6 | 0.2° | 0.1° |
C14 | N15 | H23 | H24 | 120.0° | 179.9° |
C10 | C11 | C12 | H3 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.0° | 0.0° |
C11 | C10 | C09 | H2 | 148.7° | 155.0° |
C10 | C11 | C12 | H4 | 179.9° | 180.0° |
C11 | C10 | C20 | H6 | 179.5° | 179.7° |
C14 | C13 | C12 | C11 | 0.6° | 0.0° |
C14 | C13 | C12 | H5 | 180.0° | 180.0° |
C14 | C13 | C12 | H4 | 179.5° | 180.0° |
C13 | C14 | C20 | H6 | 178.8° | 179.8° |
C13 | C14 | N15 | H23 | 1.3° | 0.1° |
C13 | C14 | N15 | H24 | 121.4° | 180.0° |
S30 | C05 | C04 | C33 | 179.5° | 179.7° |
S30 | C05 | C04 | C02 | 0.3° | 0.0° |
C05 | C04 | C33 | C02 | 179.8° | 179.7° |
C05 | C04 | C02 | O03 | 13.8° | 0.0° |
C05 | C04 | C02 | O01 | 165.4° | 179.7° |
C05 | C04 | C33 | H22 | 179.9° | 179.8° |
C11 | C12 | C13 | H4 | 180.0° | 180.0° |
C11 | C12 | C13 | H5 | 179.4° | 180.0° |
C33 | C04 | C02 | O03 | 166.1° | 179.7° |
C33 | C04 | C02 | O01 | 14.8° | 0.0° |
C04 | C33 | C32 | H21 | 180.0° | 180.0° |
C13 | C12 | C11 | H3 | 180.0° | 180.0° |
C04 | C02 | O03 | O01 | 179.1° | 179.7° |
C02 | C04 | C33 | H22 | 0.3° | 0.0° |
C04 | C02 | O01 | H26 | 179.1° | 179.7° |
O03 | C02 | O01 | H26 | 0.0° | 0.1° |
H3 | C11 | C12 | H4 | 0.1° | 0.0° |
H4 | C12 | C13 | H5 | 0.5° | 0.0° |
H7 | C22 | C23 | H9 | 115.8° | 55.0° |
H7 | C22 | C23 | H10 | 4.6° | 64.9° |
H8 | C22 | C23 | H9 | 123.5° | 65.0° |
H8 | C22 | C23 | H10 | 116.1° | 175.0° |
H11 | C25 | C26 | H13 | 53.4° | 60.8° |
H11 | C25 | C26 | H14 | 65.9° | 59.2° |
H12 | C25 | C26 | H13 | 172.5° | 59.2° |
H12 | C25 | C26 | H14 | 53.1° | 179.2° |
H13 | C26 | C27 | H15 | 174.0° | 57.7° |
H13 | C26 | C27 | H16 | 54.4° | 62.5° |
H14 | C26 | C27 | H15 | 54.6° | 177.8° |
H14 | C26 | C27 | H16 | 64.9° | 57.6° |
H15 | C27 | C28 | H17 | 55.2° | 57.7° |
H15 | C27 | C28 | H18 | 174.6° | 177.8° |
H16 | C27 | C28 | H17 | 64.3° | 62.5° |
H16 | C27 | C28 | H18 | 55.1° | 57.6° |
H17 | C28 | C29 | H19 | 54.4° | 59.1° |
H17 | C28 | C29 | H20 | 64.6° | 60.8° |
H18 | C28 | C29 | H19 | 173.8° | 179.2° |
H18 | C28 | C29 | H20 | 54.8° | 59.3° |
H21 | C32 | C33 | H22 | 0.1° | 0.0° |