PRD_000801
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C2 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C7 | sing | 1.51Å | 1.51Å | |
C4 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C7 | S8 | sing | 1.81Å | 1.67Å | |
O7 | S8 | doub | 1.42Å | 1.44Å | |
S8 | N9 | sing | 1.66Å | 1.61Å | |
S8 | O19 | doub | 1.42Å | 1.43Å | |
N9 | C10 | sing | 1.47Å | 1.45Å | |
C10 | C11 | sing | 1.51Å | 1.50Å | |
C10 | C20 | sing | 1.53Å | 1.52Å | |
C11 | N12 | sing | 1.35Å | 1.33Å | |
C11 | O24 | doub | 1.21Å | 1.22Å | |
N12 | C13 | sing | 1.47Å | 1.46Å | |
N12 | C25 | sing | 1.47Å | 1.47Å | |
C13 | C14 | sing | 1.51Å | 1.50Å | |
C13 | C27 | sing | 1.54Å | 1.52Å | |
C14 | N15 | sing | 1.35Å | 1.33Å | |
C14 | O28 | doub | 1.21Å | 1.22Å | |
N15 | C16 | sing | 1.46Å | 1.45Å | |
C16 | C17 | sing | 1.51Å | 1.51Å | |
C17 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
C20 | C21 | sing | 1.53Å | 1.52Å | |
C21 | C22 | sing | 1.53Å | 1.52Å | |
C21 | C23 | sing | 1.53Å | 1.52Å | |
C25 | C26 | sing | 1.55Å | 1.52Å | |
C26 | C27 | sing | 1.55Å | 1.52Å | |
CL28 | C31 | sing | 1.74Å | 1.78Å | |
C29 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
C29 | C35 | sing | 1.51Å | 1.51Å | |
C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
C35 | N36 | sing | 1.47Å | 1.45Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
N9 | HN9 | sing | 0.97Å | 1.00Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
N15 | HN15 | sing | 0.97Å | 1.00Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C22 | H22B | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H23A | sing | 1.09Å | 1.10Å | |
C23 | H23B | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H25A | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H27A | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.08Å | 1.08Å | |
C32 | H32 | sing | 1.08Å | 1.08Å | |
C33 | H33 | sing | 1.08Å | 1.08Å | |
C34 | H34 | sing | 1.08Å | 1.08Å | |
C35 | H35 | sing | 1.09Å | 1.10Å | |
C35 | H35A | sing | 1.09Å | 1.10Å | |
N36 | HN36 | sing | 1.01Å | 1.00Å | |
N36 | HN3A | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 120.0° | 120.0° |
C1 | C2 | C34 | 119.9° | 120.0° |
C2 | C1 | H1 | 120.0° | 120.1° |
C1 | C2 | H2 | 120.0° | 120.0° |
C1 | C6 | C5 | 119.9° | 120.0° |
C6 | C1 | H1 | 120.0° | 120.0° |
C1 | C6 | H6 | 120.1° | 120.0° |
C2 | C34 | C4 | 120.2° | 120.0° |
C34 | C2 | H2 | 120.0° | 120.0° |
C2 | C34 | H34 | 119.9° | 120.0° |
C5 | C4 | C7 | 119.9° | 120.0° |
C5 | C4 | C34 | 119.8° | 120.0° |
C4 | C5 | C6 | 120.1° | 120.0° |
C4 | C5 | H5 | 120.0° | 120.0° |
C7 | C4 | C34 | 120.3° | 120.0° |
C4 | C7 | S8 | 110.0° | 109.5° |
C4 | C7 | H7 | 109.3° | 109.5° |
C4 | C7 | H7A | 109.3° | 109.5° |
C4 | C34 | H34 | 119.9° | 120.0° |
C6 | C5 | H5 | 119.9° | 120.0° |
C5 | C6 | H6 | 120.0° | 120.0° |
C7 | S8 | O7 | 109.3° | 110.5° |
C7 | S8 | N9 | 109.8° | 104.5° |
C7 | S8 | O19 | 108.8° | 110.5° |
S8 | C7 | H7 | 109.3° | 109.5° |
S8 | C7 | H7A | 109.3° | 109.5° |
O7 | S8 | N9 | 109.1° | 104.2° |
O7 | S8 | O19 | 109.6° | 121.0° |
N9 | S8 | O19 | 110.1° | 104.3° |
S8 | N9 | C10 | 121.4° | 120.0° |
S8 | N9 | HN9 | 105.7° | 120.0° |
N9 | C10 | C11 | 111.3° | 109.5° |
N9 | C10 | C20 | 109.7° | 109.5° |
C10 | N9 | HN9 | 105.7° | 120.0° |
N9 | C10 | H10 | 107.6° | 109.5° |
C11 | C10 | C20 | 107.8° | 109.5° |
C10 | C11 | N12 | 117.5° | 120.0° |
C10 | C11 | O24 | 119.9° | 120.0° |
C11 | C10 | H10 | 109.5° | 109.4° |
C10 | C20 | C21 | 112.2° | 109.5° |
C20 | C10 | H10 | 111.1° | 109.5° |
C10 | C20 | H20 | 108.6° | 109.5° |
C10 | C20 | H20A | 108.6° | 109.5° |
N12 | C11 | O24 | 122.6° | 120.0° |
C11 | N12 | C13 | 119.4° | 125.6° |
C11 | N12 | C25 | 127.4° | 125.7° |
C13 | N12 | C25 | 113.3° | 108.7° |
N12 | C13 | C14 | 113.7° | 109.9° |
N12 | C13 | C27 | 103.7° | 107.3° |
N12 | C13 | H13 | 110.6° | 109.9° |
N12 | C25 | C26 | 103.9° | 104.9° |
N12 | C25 | H25 | 111.3° | 110.3° |
N12 | C25 | H25A | 111.4° | 110.4° |
C14 | C13 | C27 | 109.6° | 109.9° |
C13 | C14 | N15 | 117.1° | 120.0° |
C13 | C14 | O28 | 120.9° | 120.0° |
C14 | C13 | H13 | 104.9° | 109.9° |
C13 | C27 | C26 | 105.4° | 103.0° |
C27 | C13 | H13 | 114.6° | 110.0° |
C13 | C27 | H27 | 110.8° | 110.8° |
C13 | C27 | H27A | 110.9° | 110.8° |
N15 | C14 | O28 | 122.0° | 120.0° |
C14 | N15 | C16 | 123.6° | 120.0° |
C14 | N15 | HN15 | 118.2° | 120.0° |
N15 | C16 | C17 | 113.8° | 109.5° |
C16 | N15 | HN15 | 118.2° | 120.0° |
N15 | C16 | H16 | 108.0° | 109.4° |
N15 | C16 | H16A | 108.0° | 109.5° |
C16 | C17 | C29 | 120.9° | 120.0° |
C16 | C17 | C30 | 119.5° | 120.0° |
C17 | C16 | H16 | 108.1° | 109.4° |
C17 | C16 | H16A | 108.1° | 109.5° |
C29 | C17 | C30 | 119.6° | 120.1° |
C17 | C29 | C33 | 120.2° | 120.0° |
C17 | C29 | C35 | 121.7° | 120.0° |
C17 | C30 | C31 | 119.7° | 120.0° |
C17 | C30 | H30 | 120.2° | 120.1° |
C20 | C21 | C22 | 110.0° | 109.5° |
C20 | C21 | C23 | 110.8° | 109.5° |
C21 | C20 | H20 | 108.6° | 109.5° |
C21 | C20 | H20A | 108.6° | 109.5° |
C20 | C21 | H21 | 108.7° | 109.5° |
C22 | C21 | C23 | 110.9° | 109.5° |
C22 | C21 | H21 | 108.6° | 109.4° |
C21 | C22 | H22 | 109.5° | 109.4° |
C21 | C22 | H22A | 109.4° | 109.5° |
C21 | C22 | H22B | 109.4° | 109.5° |
C23 | C21 | H21 | 107.8° | 109.4° |
C21 | C23 | H23 | 109.5° | 109.5° |
C21 | C23 | H23A | 109.4° | 109.5° |
C21 | C23 | H23B | 109.5° | 109.4° |
C25 | C26 | C27 | 105.8° | 101.5° |
C26 | C25 | H25 | 111.4° | 110.3° |
C26 | C25 | H25A | 111.3° | 110.4° |
C25 | C26 | H26 | 110.7° | 111.0° |
C25 | C26 | H26A | 110.7° | 111.0° |
C27 | C26 | H26 | 110.7° | 111.0° |
C27 | C26 | H26A | 110.7° | 111.1° |
C26 | C27 | H27 | 110.9° | 110.8° |
C26 | C27 | H27A | 110.8° | 110.5° |
CL28 | C31 | C30 | 119.0° | 120.0° |
CL28 | C31 | C32 | 119.8° | 120.0° |
C33 | C29 | C35 | 118.1° | 120.0° |
C29 | C33 | C32 | 120.5° | 120.0° |
C29 | C33 | H33 | 119.8° | 120.0° |
C29 | C35 | N36 | 109.0° | 109.5° |
C29 | C35 | H35 | 109.6° | 109.5° |
C29 | C35 | H35A | 109.6° | 109.5° |
C30 | C31 | C32 | 121.2° | 120.0° |
C31 | C30 | H30 | 120.1° | 120.0° |
C31 | C32 | C33 | 118.7° | 120.0° |
C31 | C32 | H32 | 120.6° | 120.0° |
C33 | C32 | H32 | 120.6° | 120.0° |
C32 | C33 | H33 | 119.7° | 120.0° |
N36 | C35 | H35 | 109.6° | 109.4° |
N36 | C35 | H35A | 109.6° | 109.4° |
C35 | N36 | HN36 | 109.5° | 111.0° |
C35 | N36 | HN3A | 109.5° | 111.1° |
H7 | C7 | H7A | 109.7° | 109.4° |
H16 | C16 | H16A | 110.8° | 109.5° |
H20 | C20 | H20A | 110.4° | 109.5° |
H22 | C22 | H22A | 109.4° | 109.4° |
H22 | C22 | H22B | 109.4° | 109.4° |
H22A | C22 | H22B | 109.5° | 109.5° |
H23 | C23 | H23A | 109.5° | 109.5° |
H23 | C23 | H23B | 109.5° | 109.5° |
H23A | C23 | H23B | 109.5° | 109.4° |
H25 | C25 | H25A | 107.5° | 110.4° |
H26 | C26 | H26A | 108.2° | 111.0° |
H27 | C27 | H27A | 108.1° | 110.8° |
H35 | C35 | H35A | 109.3° | 109.5° |
HN36 | N36 | HN3A | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | H1 | 180.0° | 179.7° |
C1 | C2 | C34 | H2 | 180.0° | 180.0° |
C1 | C2 | C34 | C4 | 0.3° | 0.0° |
C2 | C1 | C6 | C5 | 0.3° | 0.1° |
C2 | C1 | C6 | H6 | 179.7° | 180.0° |
C1 | C2 | C34 | H34 | 179.7° | 180.0° |
C6 | C1 | C2 | C34 | 0.4° | 0.0° |
C1 | C6 | C5 | C4 | 0.2° | 0.1° |
C1 | C6 | C5 | H6 | 180.0° | 179.9° |
C6 | C1 | C2 | H2 | 179.6° | 179.9° |
C1 | C6 | C5 | H5 | 179.7° | 179.9° |
C2 | C34 | C4 | C5 | 0.3° | 0.1° |
C2 | C34 | C4 | C7 | 179.8° | 180.0° |
C2 | C34 | C4 | H34 | 180.0° | 180.0° |
C34 | C2 | C1 | H1 | 179.7° | 179.7° |
C5 | C4 | C7 | C34 | 179.6° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C5 | C4 | C7 | S8 | 86.1° | 90.0° |
C4 | C5 | C6 | H6 | 179.7° | 180.0° |
C5 | C4 | C7 | H7 | 153.9° | 150.0° |
C5 | C4 | C7 | H7A | 33.8° | 30.0° |
C5 | C4 | C34 | H34 | 179.7° | 180.0° |
C7 | C4 | C5 | C6 | 179.8° | 180.0° |
C4 | C7 | S8 | H7 | 120.0° | 120.0° |
C4 | C7 | S8 | H7A | 120.0° | 120.0° |
C4 | C7 | S8 | O7 | 50.0° | 62.5° |
C4 | C7 | S8 | N9 | 69.7° | 174.1° |
C4 | C7 | S8 | O19 | 169.7° | 74.3° |
C7 | C4 | C5 | H5 | 0.2° | 0.1° |
C4 | C7 | H7 | H7A | 119.8° | 120.0° |
C7 | C4 | C34 | H34 | 0.2° | 0.0° |
C34 | C4 | C5 | C6 | 0.2° | 0.1° |
C34 | C4 | C7 | S8 | 93.4° | 90.0° |
C4 | C34 | C2 | H2 | 179.6° | 179.9° |
C34 | C4 | C5 | H5 | 179.8° | 179.9° |
C34 | C4 | C7 | H7 | 26.5° | 30.1° |
C34 | C4 | C7 | H7A | 146.6° | 150.0° |
C5 | C6 | C1 | H1 | 179.7° | 179.7° |
C7 | S8 | O7 | N9 | 120.1° | 111.7° |
C7 | S8 | O7 | O19 | 119.2° | 131.5° |
C7 | S8 | N9 | O19 | 119.8° | 116.1° |
C7 | S8 | N9 | C10 | 101.8° | 65.2° |
S8 | C7 | H7 | H7A | 119.8° | 120.0° |
C7 | S8 | N9 | HN9 | 138.1° | 114.8° |
O7 | S8 | N9 | O19 | 120.4° | 127.9° |
O7 | S8 | N9 | C10 | 138.4° | 178.8° |
O7 | S8 | C7 | H7 | 170.0° | 57.5° |
O7 | S8 | C7 | H7A | 70.0° | 177.5° |
O7 | S8 | N9 | HN9 | 18.3° | 1.2° |
S8 | N9 | C10 | HN9 | 120.0° | 180.0° |
S8 | N9 | C10 | C11 | 79.8° | 94.5° |
S8 | N9 | C10 | C20 | 161.0° | 145.4° |
N9 | S8 | C7 | H7 | 50.3° | 54.0° |
N9 | S8 | C7 | H7A | 170.3° | 65.9° |
S8 | N9 | C10 | H10 | 40.1° | 25.4° |
O19 | S8 | N9 | C10 | 18.0° | 50.9° |
O19 | S8 | C7 | H7 | 70.3° | 165.7° |
O19 | S8 | C7 | H7A | 49.7° | 45.8° |
O19 | S8 | N9 | HN9 | 102.0° | 129.1° |
N9 | C10 | C11 | C20 | 120.3° | 120.1° |
N9 | C10 | C11 | H10 | 118.8° | 120.0° |
N9 | C10 | C20 | H10 | 118.8° | 120.0° |
N9 | C10 | C11 | N12 | 135.3° | 180.0° |
N9 | C10 | C11 | O24 | 45.4° | 0.1° |
N9 | C10 | C20 | C21 | 82.5° | 64.2° |
N9 | C10 | C20 | H20 | 157.5° | 175.8° |
N9 | C10 | C20 | H20A | 37.5° | 55.8° |
C11 | C10 | C20 | H10 | 119.9° | 120.0° |
C10 | C11 | N12 | O24 | 179.2° | 179.9° |
C10 | C11 | N12 | C13 | 179.9° | 180.0° |
C10 | C11 | N12 | C25 | 0.8° | 0.2° |
C11 | C10 | C20 | C21 | 156.2° | 175.8° |
C11 | C10 | N9 | HN9 | 40.2° | 85.5° |
C11 | C10 | C20 | H20 | 36.2° | 55.8° |
C11 | C10 | C20 | H20A | 83.8° | 64.2° |
C20 | C10 | C11 | N12 | 104.4° | 59.9° |
C20 | C10 | C11 | O24 | 74.9° | 120.0° |
C10 | C20 | C21 | H20 | 120.0° | 120.0° |
C10 | C20 | C21 | H20A | 120.0° | 120.0° |
C10 | C20 | C21 | C22 | 165.5° | 66.0° |
C10 | C20 | C21 | C23 | 71.5° | 174.0° |
C20 | C10 | N9 | HN9 | 78.9° | 34.6° |
C10 | C20 | H20 | H20A | 118.9° | 120.0° |
C10 | C20 | C21 | H21 | 46.8° | 54.0° |
C11 | N12 | C13 | C25 | 179.4° | 179.8° |
C11 | N12 | C13 | C14 | 48.2° | 59.5° |
C11 | N12 | C13 | C27 | 167.1° | 178.9° |
C11 | N12 | C25 | C26 | 175.6° | 155.9° |
N12 | C11 | C10 | H10 | 16.5° | 60.1° |
C11 | N12 | C13 | H13 | 69.5° | 61.5° |
C11 | N12 | C25 | H25 | 55.6° | 85.3° |
C11 | N12 | C25 | H25A | 64.4° | 37.0° |
O24 | C11 | N12 | C13 | 0.6° | 0.1° |
O24 | C11 | N12 | C25 | 180.0° | 179.7° |
O24 | C11 | C10 | H10 | 164.2° | 120.0° |
N12 | C13 | C14 | C27 | 115.5° | 117.8° |
N12 | C13 | C14 | H13 | 121.0° | 121.0° |
N12 | C13 | C27 | H13 | 120.7° | 119.5° |
N12 | C13 | C14 | N15 | 134.7° | 180.0° |
N12 | C13 | C14 | O28 | 44.8° | 0.0° |
C13 | N12 | C25 | C26 | 5.0° | 24.3° |
N12 | C13 | C27 | C26 | 24.8° | 22.1° |
C13 | N12 | C25 | H25 | 125.0° | 94.5° |
C13 | N12 | C25 | H25A | 115.0° | 143.2° |
N12 | C13 | C27 | H27 | 95.3° | 140.6° |
N12 | C13 | C27 | H27A | 144.7° | 96.1° |
C25 | N12 | C13 | C14 | 131.3° | 120.7° |
C25 | N12 | C13 | C27 | 12.4° | 1.2° |
N12 | C25 | C26 | H25 | 120.0° | 118.8° |
N12 | C25 | C26 | H25A | 120.0° | 118.9° |
N12 | C25 | C26 | C27 | 20.6° | 37.1° |
C25 | N12 | C13 | H13 | 111.0° | 118.3° |
N12 | C25 | H25 | H25A | 122.3° | 122.3° |
N12 | C25 | C26 | H26 | 99.4° | 155.0° |
N12 | C25 | C26 | H26A | 140.6° | 81.1° |
C14 | C13 | C27 | H13 | 117.6° | 121.1° |
C13 | C14 | N15 | O28 | 179.5° | 180.0° |
C13 | C14 | N15 | C16 | 178.6° | 180.0° |
C14 | C13 | C27 | C26 | 146.4° | 97.4° |
C13 | C14 | N15 | HN15 | 1.4° | 0.1° |
C14 | C13 | C27 | H27 | 26.4° | 21.1° |
C14 | C13 | C27 | H27A | 93.6° | 144.4° |
C27 | C13 | C14 | N15 | 109.8° | 62.1° |
C27 | C13 | C14 | O28 | 70.7° | 117.8° |
C13 | C27 | C26 | C25 | 28.5° | 35.4° |
C13 | C27 | C26 | H27 | 120.0° | 118.5° |
C13 | C27 | C26 | H27A | 120.0° | 118.4° |
C13 | C27 | C26 | H26 | 91.6° | 153.4° |
C13 | C27 | C26 | H26A | 148.5° | 82.6° |
C13 | C27 | H27 | H27A | 121.7° | 123.3° |
C14 | N15 | C16 | HN15 | 180.0° | 179.9° |
C14 | N15 | C16 | C17 | 106.7° | 180.0° |
N15 | C14 | C13 | H13 | 13.7° | 59.0° |
C14 | N15 | C16 | H16 | 133.3° | 60.1° |
C14 | N15 | C16 | H16A | 13.3° | 60.0° |
O28 | C14 | N15 | C16 | 1.9° | 0.1° |
O28 | C14 | C13 | H13 | 165.8° | 121.0° |
O28 | C14 | N15 | HN15 | 178.1° | 180.0° |
N15 | C16 | C17 | H16 | 120.0° | 119.9° |
N15 | C16 | C17 | H16A | 120.0° | 120.1° |
N15 | C16 | C17 | C29 | 100.2° | 79.9° |
N15 | C16 | C17 | C30 | 80.4° | 100.3° |
N15 | C16 | H16 | H16A | 118.2° | 120.1° |
C16 | C17 | C29 | C30 | 179.4° | 179.8° |
C16 | C17 | C29 | C33 | 179.5° | 180.0° |
C16 | C17 | C29 | C35 | 1.2° | 0.0° |
C16 | C17 | C30 | C31 | 179.1° | 180.0° |
C17 | C16 | N15 | HN15 | 73.3° | 0.1° |
C17 | C16 | H16 | H16A | 118.2° | 120.0° |
C16 | C17 | C30 | H30 | 0.8° | 0.1° |
C17 | C29 | C33 | C35 | 179.3° | 180.0° |
C29 | C17 | C30 | C31 | 0.3° | 0.2° |
C17 | C29 | C33 | C32 | 1.0° | 0.0° |
C17 | C29 | C35 | N36 | 105.3° | 79.9° |
C29 | C17 | C16 | H16 | 139.8° | 40.0° |
C29 | C17 | C16 | H16A | 19.8° | 160.0° |
C29 | C17 | C30 | H30 | 179.7° | 179.7° |
C17 | C29 | C33 | H33 | 179.0° | 180.0° |
C17 | C29 | C35 | H35 | 134.6° | 160.0° |
C17 | C29 | C35 | H35A | 14.7° | 40.0° |
C17 | C30 | C31 | CL28 | 179.5° | 180.0° |
C30 | C17 | C29 | C33 | 0.1° | 0.2° |
C30 | C17 | C29 | C35 | 179.3° | 179.8° |
C17 | C30 | C31 | H30 | 180.0° | 179.9° |
C17 | C30 | C31 | C32 | 0.3° | 0.0° |
C30 | C17 | C16 | H16 | 39.6° | 139.8° |
C30 | C17 | C16 | H16A | 159.6° | 19.8° |
C20 | C21 | C22 | C23 | 122.9° | 120.1° |
C20 | C21 | C22 | H21 | 118.9° | 120.0° |
C20 | C21 | C23 | H21 | 118.8° | 120.0° |
C21 | C20 | C10 | H10 | 36.3° | 55.8° |
C21 | C20 | H20 | H20A | 118.9° | 120.0° |
C20 | C21 | C22 | H22 | 180.0° | 60.0° |
C20 | C21 | C22 | H22A | 60.0° | 180.0° |
C20 | C21 | C22 | H22B | 60.0° | 59.9° |
C20 | C21 | C23 | H23 | 180.0° | 60.0° |
C20 | C21 | C23 | H23A | 60.0° | 180.0° |
C20 | C21 | C23 | H23B | 60.0° | 60.0° |
C22 | C21 | C23 | H21 | 118.7° | 120.0° |
C22 | C21 | C20 | H20 | 74.5° | 54.1° |
C22 | C21 | C20 | H20A | 45.5° | 174.0° |
C21 | C22 | H22 | H22A | 120.0° | 120.0° |
C21 | C22 | H22 | H22B | 120.0° | 120.0° |
C21 | C22 | H22A | H22B | 120.0° | 120.1° |
C22 | C21 | C23 | H23 | 57.5° | 180.0° |
C22 | C21 | C23 | H23A | 177.6° | 59.9° |
C22 | C21 | C23 | H23B | 62.5° | 60.0° |
C23 | C21 | C20 | H20 | 48.5° | 66.0° |
C23 | C21 | C20 | H20A | 168.5° | 54.0° |
C23 | C21 | C22 | H22 | 57.1° | 60.0° |
C23 | C21 | C22 | H22A | 62.8° | 59.9° |
C23 | C21 | C22 | H22B | 177.1° | 180.0° |
C21 | C23 | H23 | H23A | 120.0° | 120.1° |
C21 | C23 | H23 | H23B | 120.0° | 120.0° |
C21 | C23 | H23A | H23B | 119.9° | 120.0° |
C25 | C26 | C27 | H26 | 120.0° | 118.0° |
C25 | C26 | C27 | H26A | 120.0° | 118.1° |
C26 | C25 | H25 | H25A | 122.2° | 122.3° |
C25 | C26 | H26 | H26A | 121.5° | 123.9° |
C25 | C26 | C27 | H27 | 91.5° | 153.9° |
C25 | C26 | C27 | H27A | 148.5° | 82.9° |
C26 | C27 | C13 | H13 | 96.0° | 141.5° |
C27 | C26 | C25 | H25 | 140.6° | 81.7° |
C27 | C26 | C25 | H25A | 99.4° | 155.9° |
C27 | C26 | H26 | H26A | 121.5° | 124.0° |
C26 | C27 | H27 | H27A | 121.7° | 123.1° |
CL28 | C31 | C30 | C32 | 179.3° | 180.0° |
CL28 | C31 | C32 | C33 | 179.5° | 179.7° |
CL28 | C31 | C30 | H30 | 0.5° | 0.0° |
CL28 | C31 | C32 | H32 | 0.5° | 0.0° |
C29 | C33 | C32 | C31 | 1.6° | 0.3° |
C29 | C33 | C32 | H33 | 180.0° | 179.9° |
C33 | C29 | C35 | N36 | 73.9° | 100.0° |
C29 | C33 | C32 | H32 | 178.4° | 180.0° |
C33 | C29 | C35 | H35 | 46.1° | 20.0° |
C33 | C29 | C35 | H35A | 166.0° | 140.0° |
C35 | C29 | C33 | C32 | 179.7° | 180.0° |
C29 | C35 | N36 | H35 | 120.0° | 120.1° |
C29 | C35 | N36 | H35A | 120.0° | 120.0° |
C35 | C29 | C33 | H33 | 0.3° | 0.0° |
C29 | C35 | H35 | H35A | 120.2° | 120.1° |
C29 | C35 | N36 | HN36 | 180.0° | 56.1° |
C29 | C35 | N36 | HN3A | 60.0° | 180.0° |
C30 | C31 | C32 | C33 | 1.2° | 0.3° |
C30 | C31 | C32 | H32 | 178.8° | 180.0° |
C31 | C32 | C33 | H32 | 180.0° | 179.7° |
C32 | C31 | C30 | H30 | 179.7° | 179.9° |
C31 | C32 | C33 | H33 | 178.5° | 179.8° |
N36 | C35 | H35 | H35A | 120.2° | 119.9° |
C35 | N36 | HN36 | HN3A | 120.0° | 124.0° |
H1 | C1 | C2 | H2 | 0.4° | 0.3° |
H1 | C1 | C6 | H6 | 0.3° | 0.4° |
H2 | C2 | C34 | H34 | 0.4° | 0.0° |
H5 | C5 | C6 | H6 | 0.3° | 0.0° |
HN9 | N9 | C10 | H10 | 160.2° | 154.6° |
H10 | C10 | C20 | H20 | 83.7° | 64.2° |
H10 | C10 | C20 | H20A | 156.3° | 175.8° |
H13 | C13 | C27 | H27 | 144.0° | 100.0° |
H13 | C13 | C27 | H27A | 24.0° | 23.4° |
HN15 | N15 | C16 | H16 | 46.7° | 120.0° |
HN15 | N15 | C16 | H16A | 166.7° | 119.9° |
H20 | C20 | C21 | H21 | 166.8° | 174.0° |
H20A | C20 | C21 | H21 | 73.2° | 66.0° |
H21 | C21 | C22 | H22 | 61.1° | 180.0° |
H21 | C21 | C22 | H22A | 178.9° | 60.1° |
H21 | C21 | C22 | H22B | 58.8° | 60.1° |
H21 | C21 | C23 | H23 | 61.2° | 60.0° |
H21 | C21 | C23 | H23A | 58.9° | 60.0° |
H21 | C21 | C23 | H23B | 178.8° | 180.0° |
H22 | C22 | H22A | H22B | 120.0° | 120.0° |
H23 | C23 | H23A | H23B | 120.0° | 120.0° |
H25 | C25 | C26 | H26 | 20.5° | 36.2° |
H25 | C25 | C26 | H26A | 99.4° | 160.1° |
H25A | C25 | C26 | H26 | 140.6° | 86.1° |
H25A | C25 | C26 | H26A | 20.6° | 37.8° |
H26 | C26 | C27 | H27 | 148.5° | 88.1° |
H26 | C26 | C27 | H27A | 28.4° | 35.1° |
H26A | C26 | C27 | H27 | 28.5° | 35.9° |
H26A | C26 | C27 | H27A | 91.6° | 159.0° |
H32 | C32 | C33 | H33 | 1.5° | 0.1° |
H35 | C35 | N36 | HN36 | 60.0° | 64.0° |
H35 | C35 | N36 | HN3A | 180.0° | 60.0° |
H35A | C35 | N36 | HN36 | 60.0° | 176.1° |
H35A | C35 | N36 | HN3A | 60.0° | 60.0° |