1OK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | S2 | sing | 1.76Å | 1.77Å | |
C32 | C31 | sing | 1.53Å | 1.46Å | |
O38 | S2 | doub | 1.42Å | 1.43Å | |
C31 | O30 | sing | 1.43Å | 1.44Å | |
O36 | C23 | doub | 1.21Å | 1.23Å | |
S2 | O37 | doub | 1.42Å | 1.43Å | |
S2 | N1 | sing | 1.66Å | 1.63Å | |
O30 | C25 | sing | 1.36Å | 1.38Å | |
C23 | N1 | sing | 1.35Å | 1.36Å | |
C23 | C21 | sing | 1.51Å | 1.49Å | |
C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
C25 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
N20 | C21 | sing | 1.47Å | 1.45Å | |
N20 | C16 | sing | 1.40Å | 1.39Å | |
C21 | C22 | sing | 1.51Å | 1.52Å | |
C22 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | O29 | sing | 1.36Å | 1.38Å | |
C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
O29 | C33 | sing | 1.43Å | 1.47Å | |
C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
C34 | C33 | sing | 1.53Å | 1.49Å | |
C18 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
C33 | C35 | sing | 1.53Å | 1.50Å | |
C15 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
C13 | C12 | sing | 1.42Å | 1.43Å | Aromatic |
C13 | C14 | sing | 1.41Å | 1.45Å | Aromatic |
C12 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
N19 | C14 | sing | 1.38Å | 1.35Å | |
C14 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
C11 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
N9 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
C18 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H2 | sing | 1.08Å | 1.08Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C21 | H4 | sing | 1.09Å | 1.10Å | |
C24 | H5 | sing | 1.08Å | 1.08Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C34 | H7 | sing | 1.09Å | 1.10Å | |
C34 | H8 | sing | 1.09Å | 1.10Å | |
C34 | H9 | sing | 1.09Å | 1.10Å | |
C27 | H10 | sing | 1.08Å | 1.08Å | |
C33 | H11 | sing | 1.09Å | 1.10Å | |
N1 | H12 | sing | 0.97Å | 1.00Å | |
C4 | H13 | sing | 1.08Å | 1.08Å | |
C5 | H14 | sing | 1.08Å | 1.08Å | |
C6 | H15 | sing | 1.08Å | 1.08Å | |
C7 | H16 | sing | 1.08Å | 1.08Å | |
C8 | H17 | sing | 1.08Å | 1.08Å | |
C10 | H18 | sing | 1.08Å | 1.08Å | |
N19 | H19 | sing | 0.97Å | 1.00Å | |
N19 | H20 | sing | 0.97Å | 1.00Å | |
N20 | H21 | sing | 0.97Å | 1.00Å | |
C28 | H22 | sing | 1.08Å | 1.08Å | |
C31 | H23 | sing | 1.09Å | 1.10Å | |
C31 | H24 | sing | 1.09Å | 1.10Å | |
C32 | H25 | sing | 1.09Å | 1.10Å | |
C32 | H26 | sing | 1.09Å | 1.10Å | |
C32 | H27 | sing | 1.09Å | 1.10Å | |
C35 | H28 | sing | 1.09Å | 1.10Å | |
C35 | H29 | sing | 1.09Å | 1.10Å | |
C35 | H30 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C7 | C8 | 120.6° | 120.0° |
C7 | C6 | C5 | 119.9° | 120.0° |
C7 | C6 | H15 | 120.0° | 120.0° |
C6 | C7 | H16 | 119.7° | 120.0° |
C7 | C8 | C3 | 119.1° | 120.0° |
C8 | C7 | H16 | 119.7° | 119.9° |
C7 | C8 | H17 | 120.5° | 120.0° |
C6 | C5 | C4 | 120.4° | 119.9° |
C6 | C5 | H14 | 119.8° | 120.1° |
C5 | C6 | H15 | 120.1° | 120.0° |
C8 | C3 | C4 | 120.8° | 120.0° |
C8 | C3 | S2 | 119.8° | 120.0° |
C3 | C8 | H17 | 120.5° | 120.0° |
C5 | C4 | C3 | 119.2° | 120.0° |
C5 | C4 | H13 | 120.4° | 120.0° |
C4 | C5 | H14 | 119.8° | 120.0° |
C4 | C3 | S2 | 119.4° | 120.0° |
C3 | C4 | H13 | 120.4° | 120.0° |
C3 | S2 | O38 | 108.9° | 106.4° |
C3 | S2 | O37 | 108.0° | 106.4° |
C3 | S2 | N1 | 103.6° | 107.2° |
C32 | C31 | O30 | 107.9° | 109.5° |
C32 | C31 | H23 | 109.8° | 109.4° |
C32 | C31 | H24 | 109.9° | 109.5° |
C31 | C32 | H25 | 109.5° | 109.5° |
C31 | C32 | H26 | 109.5° | 109.5° |
C31 | C32 | H27 | 109.5° | 109.5° |
O38 | S2 | O37 | 119.7° | 123.2° |
O38 | S2 | N1 | 109.7° | 106.4° |
C31 | O30 | C25 | 119.3° | 117.0° |
O30 | C31 | H23 | 109.9° | 109.5° |
O30 | C31 | H24 | 109.9° | 109.5° |
O36 | C23 | N1 | 122.6° | 120.0° |
O36 | C23 | C21 | 123.0° | 120.0° |
O37 | S2 | N1 | 105.7° | 106.4° |
S2 | N1 | C23 | 123.0° | 120.0° |
S2 | N1 | H12 | 118.5° | 120.0° |
O30 | C25 | C24 | 124.4° | 120.1° |
O30 | C25 | C26 | 115.7° | 120.0° |
N1 | C23 | C21 | 114.4° | 120.0° |
C23 | N1 | H12 | 118.5° | 120.0° |
C23 | C21 | N20 | 109.0° | 109.4° |
C23 | C21 | C22 | 104.1° | 109.5° |
C23 | C21 | H4 | 110.2° | 109.5° |
C25 | C24 | C22 | 120.4° | 120.0° |
C24 | C25 | C26 | 119.7° | 119.9° |
C25 | C24 | H5 | 119.8° | 120.0° |
C24 | C22 | C21 | 119.7° | 119.9° |
C24 | C22 | C28 | 119.3° | 120.1° |
C22 | C24 | H5 | 119.8° | 120.0° |
C25 | C26 | O29 | 115.6° | 120.1° |
C25 | C26 | C27 | 119.6° | 119.8° |
C21 | N20 | C16 | 121.3° | 120.0° |
N20 | C21 | C22 | 112.8° | 109.4° |
N20 | C21 | H4 | 110.8° | 109.5° |
C21 | N20 | H21 | 106.5° | 120.0° |
N20 | C16 | C17 | 119.5° | 119.6° |
N20 | C16 | C15 | 120.5° | 119.7° |
C16 | N20 | H21 | 106.4° | 120.0° |
C21 | C22 | C28 | 120.9° | 119.9° |
C22 | C21 | H4 | 109.8° | 109.5° |
C22 | C28 | C27 | 121.3° | 120.1° |
C22 | C28 | H22 | 119.3° | 120.0° |
O29 | C26 | C27 | 124.8° | 120.1° |
C26 | O29 | C33 | 122.2° | 117.0° |
C26 | C27 | C28 | 119.6° | 120.0° |
C26 | C27 | H10 | 120.2° | 120.0° |
C16 | C17 | C18 | 120.8° | 121.0° |
C17 | C16 | C15 | 120.0° | 120.7° |
C16 | C17 | H2 | 119.6° | 119.6° |
C17 | C18 | C13 | 121.3° | 119.8° |
C17 | C18 | H1 | 119.4° | 120.1° |
C18 | C17 | H2 | 119.6° | 119.5° |
O29 | C33 | C34 | 105.0° | 109.5° |
O29 | C33 | C35 | 111.6° | 109.4° |
O29 | C33 | H11 | 109.5° | 109.5° |
C16 | C15 | C12 | 120.8° | 119.3° |
C16 | C15 | H3 | 119.6° | 120.3° |
C28 | C27 | H10 | 120.2° | 120.0° |
C27 | C28 | H22 | 119.3° | 119.9° |
C34 | C33 | C35 | 112.5° | 109.5° |
C33 | C34 | H7 | 109.5° | 109.4° |
C33 | C34 | H8 | 109.4° | 109.5° |
C33 | C34 | H9 | 109.4° | 109.4° |
C34 | C33 | H11 | 109.1° | 109.5° |
C18 | C13 | C12 | 117.9° | 119.6° |
C18 | C13 | C14 | 125.4° | 121.9° |
C13 | C18 | H1 | 119.3° | 120.1° |
C35 | C33 | H11 | 109.1° | 109.4° |
C33 | C35 | H28 | 109.5° | 109.4° |
C33 | C35 | H29 | 109.5° | 109.5° |
C33 | C35 | H30 | 109.5° | 109.4° |
C15 | C12 | C13 | 119.1° | 119.6° |
C15 | C12 | C11 | 122.0° | 122.1° |
C12 | C15 | H3 | 119.6° | 120.3° |
C12 | C13 | C14 | 116.7° | 118.5° |
C13 | C12 | C11 | 118.9° | 118.3° |
C13 | C14 | N19 | 120.5° | 120.2° |
C13 | C14 | N9 | 121.8° | 119.7° |
C12 | C11 | C10 | 119.0° | 118.9° |
C12 | C11 | H6 | 120.5° | 120.6° |
N19 | C14 | N9 | 117.7° | 120.1° |
C14 | N19 | H19 | 109.5° | 120.0° |
C14 | N19 | H20 | 109.5° | 120.0° |
C14 | N9 | C10 | 119.7° | 122.7° |
C11 | C10 | N9 | 123.9° | 121.9° |
C10 | C11 | H6 | 120.5° | 120.6° |
C11 | C10 | H18 | 118.1° | 119.0° |
N9 | C10 | H18 | 118.0° | 119.1° |
H7 | C34 | H8 | 109.5° | 109.5° |
H7 | C34 | H9 | 109.5° | 109.5° |
H8 | C34 | H9 | 109.5° | 109.5° |
H19 | N19 | H20 | 109.4° | 120.0° |
H23 | C31 | H24 | 109.5° | 109.5° |
H25 | C32 | H26 | 109.5° | 109.4° |
H25 | C32 | H27 | 109.4° | 109.5° |
H26 | C32 | H27 | 109.5° | 109.4° |
H28 | C35 | H29 | 109.5° | 109.5° |
H28 | C35 | H30 | 109.5° | 109.5° |
H29 | C35 | H30 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C7 | C8 | H16 | 180.0° | 179.8° |
C7 | C6 | C5 | H15 | 180.0° | 179.9° |
C6 | C7 | C8 | C3 | 0.5° | 0.5° |
C7 | C6 | C5 | C4 | 0.1° | 0.0° |
C7 | C6 | C5 | H14 | 179.9° | 179.9° |
C6 | C7 | C8 | H17 | 179.5° | 179.9° |
C8 | C7 | C6 | C5 | 0.8° | 0.3° |
C7 | C8 | C3 | H17 | 180.0° | 179.4° |
C7 | C8 | C3 | C4 | 0.5° | 0.5° |
C7 | C8 | C3 | S2 | 178.9° | 179.7° |
C8 | C7 | C6 | H15 | 179.2° | 179.8° |
C6 | C5 | C4 | H14 | 180.0° | 179.9° |
C6 | C5 | C4 | C3 | 0.9° | 0.0° |
C6 | C5 | C4 | H13 | 179.1° | 180.0° |
C5 | C6 | C7 | H16 | 179.2° | 180.0° |
C8 | C3 | C4 | C5 | 1.2° | 0.3° |
C8 | C3 | C4 | S2 | 179.4° | 179.8° |
C8 | C3 | S2 | O38 | 26.7° | 23.3° |
C8 | C3 | S2 | O37 | 104.8° | 156.2° |
C8 | C3 | S2 | N1 | 143.4° | 90.3° |
C8 | C3 | C4 | H13 | 178.8° | 179.7° |
C3 | C8 | C7 | H16 | 179.5° | 179.7° |
C5 | C4 | C3 | H13 | 180.0° | 180.0° |
C5 | C4 | C3 | S2 | 178.3° | 180.0° |
C4 | C5 | C6 | H15 | 179.9° | 179.9° |
C4 | C3 | S2 | O38 | 152.8° | 156.4° |
C4 | C3 | S2 | O37 | 75.8° | 23.5° |
C4 | C3 | S2 | N1 | 36.0° | 90.0° |
C3 | C4 | C5 | H14 | 179.1° | 179.9° |
C4 | C3 | C8 | H17 | 179.5° | 179.9° |
C3 | S2 | O38 | O37 | 124.9° | 122.9° |
C3 | S2 | O38 | N1 | 112.8° | 114.1° |
C3 | S2 | O37 | N1 | 110.4° | 114.1° |
C3 | S2 | N1 | C23 | 62.1° | 65.1° |
C3 | S2 | N1 | H12 | 117.9° | 115.1° |
S2 | C3 | C4 | H13 | 1.7° | 0.0° |
S2 | C3 | C8 | H17 | 1.0° | 0.3° |
C32 | C31 | O30 | H23 | 119.7° | 120.0° |
C32 | C31 | O30 | H24 | 119.8° | 120.0° |
C32 | C31 | O30 | C25 | 178.5° | 180.0° |
C32 | C31 | H23 | H24 | 120.7° | 120.0° |
C31 | C32 | H25 | H26 | 120.0° | 120.0° |
C31 | C32 | H25 | H27 | 120.0° | 120.1° |
C31 | C32 | H26 | H27 | 120.0° | 120.0° |
O38 | S2 | O37 | N1 | 124.3° | 123.0° |
O38 | S2 | N1 | C23 | 54.1° | 48.5° |
O38 | S2 | N1 | H12 | 125.9° | 131.4° |
C31 | O30 | C25 | C24 | 2.9° | 0.0° |
C31 | O30 | C25 | C26 | 177.7° | 180.0° |
O30 | C31 | H23 | H24 | 120.7° | 120.1° |
O30 | C31 | C32 | H25 | 180.0° | 60.0° |
O30 | C31 | C32 | H26 | 60.0° | 60.0° |
O30 | C31 | C32 | H27 | 60.0° | 180.0° |
O36 | C23 | N1 | S2 | 8.0° | 0.1° |
O36 | C23 | N1 | C21 | 178.6° | 180.0° |
O36 | C23 | C21 | N20 | 17.5° | 0.0° |
O36 | C23 | C21 | C22 | 103.1° | 120.0° |
O36 | C23 | C21 | H4 | 139.3° | 120.0° |
O36 | C23 | N1 | H12 | 172.0° | 179.9° |
O37 | S2 | N1 | C23 | 175.6° | 178.6° |
O37 | S2 | N1 | H12 | 4.4° | 1.6° |
S2 | N1 | C23 | H12 | 180.0° | 179.9° |
S2 | N1 | C23 | C21 | 173.3° | 180.0° |
O30 | C25 | C24 | C26 | 174.6° | 180.0° |
O30 | C25 | C24 | C22 | 173.5° | 180.0° |
O30 | C25 | C26 | O29 | 4.6° | 0.0° |
O30 | C25 | C26 | C27 | 174.4° | 180.0° |
O30 | C25 | C24 | H5 | 6.5° | 0.0° |
C25 | O30 | C31 | H23 | 58.7° | 60.0° |
C25 | O30 | C31 | H24 | 61.7° | 60.0° |
N1 | C23 | C21 | N20 | 161.1° | 179.9° |
N1 | C23 | C21 | C22 | 78.3° | 60.0° |
N1 | C23 | C21 | H4 | 39.4° | 60.0° |
C23 | C21 | C22 | C24 | 63.6° | 99.7° |
C23 | C21 | N20 | C22 | 115.1° | 120.0° |
C23 | C21 | N20 | H4 | 121.4° | 120.0° |
C23 | C21 | N20 | C16 | 163.4° | 85.1° |
C23 | C21 | C22 | H4 | 118.0° | 120.0° |
C23 | C21 | C22 | C28 | 113.6° | 80.0° |
C21 | C23 | N1 | H12 | 6.7° | 0.1° |
C23 | C21 | N20 | H21 | 74.9° | 95.0° |
C25 | C24 | C22 | H5 | 180.0° | 180.0° |
C25 | C24 | C22 | C21 | 177.8° | 180.0° |
C25 | C24 | C22 | C28 | 0.5° | 0.3° |
C24 | C25 | C26 | O29 | 179.6° | 180.0° |
C24 | C25 | C26 | C27 | 0.6° | 0.0° |
C22 | C24 | C25 | C26 | 1.0° | 0.0° |
C24 | C22 | C21 | N20 | 54.3° | 140.3° |
C24 | C22 | C21 | C28 | 177.3° | 179.7° |
C24 | C22 | C28 | C27 | 0.6° | 0.5° |
C24 | C22 | C21 | H4 | 178.4° | 20.3° |
C24 | C22 | C28 | H22 | 179.4° | 179.8° |
C25 | C26 | O29 | C27 | 179.0° | 180.0° |
C25 | C26 | O29 | C33 | 170.4° | 174.6° |
C25 | C26 | C27 | C28 | 0.4° | 0.3° |
C26 | C25 | C24 | H5 | 179.0° | 180.0° |
C25 | C26 | C27 | H10 | 179.6° | 179.9° |
C21 | N20 | C16 | H21 | 121.7° | 179.9° |
N20 | C21 | C22 | H4 | 124.0° | 120.0° |
N20 | C21 | C22 | C28 | 128.4° | 40.0° |
C21 | N20 | C16 | C17 | 171.6° | 0.1° |
C21 | N20 | C16 | C15 | 7.1° | 180.0° |
C16 | N20 | C21 | C22 | 81.5° | 155.0° |
N20 | C16 | C17 | C15 | 178.7° | 179.9° |
N20 | C16 | C17 | C18 | 177.4° | 180.0° |
N20 | C16 | C15 | C12 | 178.2° | 180.0° |
N20 | C16 | C17 | H2 | 2.5° | 0.0° |
N20 | C16 | C15 | H3 | 1.8° | 0.1° |
C16 | N20 | C21 | H4 | 42.0° | 35.0° |
C21 | C22 | C28 | C27 | 176.7° | 179.7° |
C21 | C22 | C24 | H5 | 2.2° | 0.0° |
C22 | C21 | N20 | H21 | 40.1° | 24.9° |
C21 | C22 | C28 | H22 | 3.3° | 0.0° |
C22 | C28 | C27 | C26 | 1.0° | 0.5° |
C22 | C28 | C27 | H22 | 180.0° | 179.7° |
C28 | C22 | C21 | H4 | 4.3° | 160.0° |
C28 | C22 | C24 | H5 | 179.6° | 179.7° |
C22 | C28 | C27 | H10 | 179.0° | 179.7° |
O29 | C26 | C27 | C28 | 178.5° | 179.7° |
C26 | O29 | C33 | C34 | 164.3° | 84.9° |
C26 | O29 | C33 | C35 | 73.6° | 155.1° |
O29 | C26 | C27 | H10 | 1.5° | 0.1° |
C26 | O29 | C33 | H11 | 47.2° | 35.2° |
C27 | C26 | O29 | C33 | 8.6° | 5.4° |
C26 | C27 | C28 | H10 | 180.0° | 179.8° |
C26 | C27 | C28 | H22 | 179.0° | 179.7° |
C16 | C17 | C18 | H2 | 180.0° | 180.0° |
C16 | C17 | C18 | C13 | 1.1° | 0.0° |
C17 | C16 | C15 | C12 | 0.5° | 0.0° |
C16 | C17 | C18 | H1 | 178.9° | 179.9° |
C17 | C16 | C15 | H3 | 179.5° | 180.0° |
C17 | C16 | N20 | H21 | 50.0° | 180.0° |
C18 | C17 | C16 | C15 | 1.3° | 0.0° |
C17 | C18 | C13 | H1 | 180.0° | 179.9° |
C17 | C18 | C13 | C12 | 0.1° | 0.0° |
C17 | C18 | C13 | C14 | 177.6° | 179.7° |
O29 | C33 | C34 | C35 | 121.5° | 119.9° |
O29 | C33 | C34 | H11 | 117.3° | 120.1° |
O29 | C33 | C35 | H11 | 121.1° | 120.0° |
O29 | C33 | C34 | H7 | 180.0° | 180.0° |
O29 | C33 | C34 | H8 | 60.0° | 60.0° |
O29 | C33 | C34 | H9 | 60.0° | 60.0° |
O29 | C33 | C35 | H28 | 180.0° | 180.0° |
O29 | C33 | C35 | H29 | 60.0° | 60.0° |
O29 | C33 | C35 | H30 | 60.0° | 60.0° |
C16 | C15 | C12 | H3 | 180.0° | 179.9° |
C16 | C15 | C12 | C13 | 0.5° | 0.0° |
C16 | C15 | C12 | C11 | 177.6° | 179.7° |
C15 | C16 | C17 | H2 | 178.8° | 180.0° |
C15 | C16 | N20 | H21 | 128.7° | 0.1° |
C34 | C33 | C35 | H11 | 121.2° | 120.0° |
C33 | C34 | H7 | H8 | 120.0° | 120.0° |
C33 | C34 | H7 | H9 | 120.0° | 119.9° |
C33 | C34 | H8 | H9 | 120.0° | 120.0° |
C34 | C33 | C35 | H28 | 62.3° | 60.0° |
C34 | C33 | C35 | H29 | 57.7° | 179.9° |
C34 | C33 | C35 | H30 | 177.7° | 60.0° |
C18 | C13 | C12 | C15 | 0.7° | 0.0° |
C18 | C13 | C12 | C14 | 177.9° | 179.8° |
C18 | C13 | C12 | C11 | 177.5° | 179.7° |
C18 | C13 | C14 | N19 | 2.3° | 0.3° |
C18 | C13 | C14 | N9 | 176.5° | 179.7° |
C13 | C18 | C17 | H2 | 178.9° | 180.0° |
C35 | C33 | C34 | H7 | 58.4° | 60.0° |
C35 | C33 | C34 | H8 | 178.5° | 60.0° |
C35 | C33 | C34 | H9 | 61.6° | 180.0° |
C33 | C35 | H28 | H29 | 120.0° | 120.0° |
C33 | C35 | H28 | H30 | 120.0° | 120.0° |
C33 | C35 | H29 | H30 | 120.0° | 120.0° |
C15 | C12 | C13 | C11 | 178.2° | 179.7° |
C15 | C12 | C13 | C14 | 178.6° | 179.8° |
C15 | C12 | C11 | C10 | 177.4° | 179.8° |
C15 | C12 | C11 | H6 | 2.6° | 0.3° |
C12 | C13 | C14 | N19 | 179.9° | 180.0° |
C12 | C13 | C14 | N9 | 1.2° | 0.1° |
C13 | C12 | C11 | C10 | 0.7° | 0.1° |
C12 | C13 | C18 | H1 | 179.9° | 179.9° |
C13 | C12 | C15 | H3 | 179.5° | 179.9° |
C13 | C12 | C11 | H6 | 179.2° | 180.0° |
C14 | C13 | C12 | C11 | 0.4° | 0.1° |
C13 | C14 | N19 | N9 | 178.9° | 180.0° |
C13 | C14 | N9 | C10 | 0.8° | 0.1° |
C14 | C13 | C18 | H1 | 2.4° | 0.3° |
C13 | C14 | N19 | H19 | 178.9° | 0.0° |
C13 | C14 | N19 | H20 | 61.1° | 180.0° |
C12 | C11 | C10 | H6 | 180.0° | 180.0° |
C12 | C11 | C10 | N9 | 1.2° | 0.1° |
C11 | C12 | C15 | H3 | 2.4° | 0.4° |
C12 | C11 | C10 | H18 | 178.8° | 179.9° |
N19 | C14 | N9 | C10 | 179.7° | 180.0° |
C14 | N19 | H19 | H20 | 120.0° | 180.0° |
C14 | N9 | C10 | C11 | 0.4° | 0.1° |
C14 | N9 | C10 | H18 | 179.6° | 179.9° |
N9 | C14 | N19 | H19 | 0.0° | 180.0° |
N9 | C14 | N19 | H20 | 120.0° | 0.0° |
C11 | C10 | N9 | H18 | 180.0° | 180.0° |
N9 | C10 | C11 | H6 | 178.7° | 180.0° |
H1 | C18 | C17 | H2 | 1.1° | 0.1° |
H4 | C21 | N20 | H21 | 163.6° | 144.9° |
H6 | C11 | C10 | H18 | 1.2° | 0.0° |
H7 | C34 | H8 | H9 | 120.0° | 120.1° |
H7 | C34 | C33 | H11 | 62.7° | 60.0° |
H8 | C34 | C33 | H11 | 57.3° | 180.0° |
H9 | C34 | C33 | H11 | 177.3° | 60.0° |
H10 | C27 | C28 | H22 | 1.0° | 0.0° |
H11 | C33 | C35 | H28 | 58.9° | 60.0° |
H11 | C33 | C35 | H29 | 178.9° | 60.0° |
H11 | C33 | C35 | H30 | 61.1° | 180.0° |
H13 | C4 | C5 | H14 | 0.9° | 0.1° |
H14 | C5 | C6 | H15 | 0.1° | 0.0° |
H15 | C6 | C7 | H16 | 0.8° | 0.0° |
H16 | C7 | C8 | H17 | 0.5° | 0.3° |
H23 | C31 | C32 | H25 | 60.2° | 180.0° |
H23 | C31 | C32 | H26 | 59.7° | 60.0° |
H23 | C31 | C32 | H27 | 179.8° | 60.0° |
H24 | C31 | C32 | H25 | 60.2° | 60.1° |
H24 | C31 | C32 | H26 | 179.8° | 180.0° |
H24 | C31 | C32 | H27 | 59.8° | 60.0° |
H25 | C32 | H26 | H27 | 120.0° | 120.0° |
H28 | C35 | H29 | H30 | 120.0° | 120.0° |