PRD_001100
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 | 1.38Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.51Å | 1.51Å | |
C7 | S8 | sing | 1.81Å | 1.67Å | |
S8 | N9 | sing | 1.66Å | 1.60Å | |
S8 | O13 | doub | 1.42Å | 1.43Å | |
S8 | O14 | doub | 1.42Å | 1.44Å | |
N9 | C10 | sing | 1.46Å | 1.45Å | |
C10 | C11 | sing | 1.51Å | 1.50Å | |
C10 | C33 | sing | 1.53Å | 1.52Å | |
C11 | N12 | sing | 1.35Å | 1.33Å | |
C11 | O15 | doub | 1.21Å | 1.22Å | |
N12 | C16 | sing | 1.47Å | 1.46Å | |
N12 | C23 | sing | 1.47Å | 1.46Å | |
C16 | C17 | sing | 1.51Å | 1.50Å | |
C16 | C21 | sing | 1.54Å | 1.52Å | |
C17 | O18 | doub | 1.21Å | 1.22Å | |
C17 | N19 | sing | 1.35Å | 1.33Å | |
N19 | C20 | sing | 1.46Å | 1.46Å | |
C20 | C24 | sing | 1.51Å | 1.51Å | |
C21 | C22 | sing | 1.55Å | 1.52Å | |
C22 | C23 | sing | 1.55Å | 1.52Å | |
C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
C26 | C28 | sing | 1.48Å | 1.50Å | |
C26 | N30 | doub | 1.30Å | 1.26Å | |
C26 | N32 | sing | 1.38Å | 1.33Å | |
C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
C28 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
C29 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | H5 | 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 | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
N19 | HN19 | sing | 0.97Å | 1.00Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H23A | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C29 | H29 | sing | 1.08Å | 1.08Å | |
N30 | HN30 | sing | 0.97Å | 1.00Å | |
C31 | H31 | sing | 1.08Å | 1.08Å | |
N32 | HN32 | sing | 0.97Å | 1.00Å | |
N32 | HN3A | sing | 0.97Å | 1.00Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C33 | H33A | sing | 1.09Å | 1.10Å | |
C33 | H33B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 120.4° | 120.0° |
C1 | C2 | C3 | 120.1° | 120.0° |
C2 | C1 | H1 | 119.8° | 120.0° |
C1 | C2 | H2 | 119.9° | 120.1° |
C1 | C6 | C5 | 119.5° | 120.0° |
C1 | C6 | C7 | 119.3° | 120.0° |
C6 | C1 | H1 | 119.8° | 120.0° |
C2 | C3 | C4 | 119.7° | 120.0° |
C3 | C2 | H2 | 119.9° | 120.0° |
C2 | C3 | H3 | 120.2° | 120.1° |
C3 | C4 | C5 | 120.0° | 120.0° |
C4 | C3 | H3 | 120.1° | 119.9° |
C3 | C4 | H4 | 120.0° | 120.0° |
C4 | C5 | C6 | 120.3° | 120.0° |
C5 | C4 | H4 | 120.0° | 120.0° |
C4 | C5 | H5 | 119.9° | 120.0° |
C5 | C6 | C7 | 121.2° | 120.0° |
C6 | C5 | H5 | 119.9° | 120.0° |
C6 | C7 | S8 | 111.9° | 109.5° |
C6 | C7 | H7 | 108.7° | 109.4° |
C6 | C7 | H7A | 108.7° | 109.5° |
C7 | S8 | N9 | 108.1° | 104.4° |
C7 | S8 | O13 | 109.2° | 110.5° |
C7 | S8 | O14 | 110.6° | 110.5° |
S8 | C7 | H7 | 108.7° | 109.5° |
S8 | C7 | H7A | 108.7° | 109.5° |
N9 | S8 | O13 | 108.2° | 104.3° |
N9 | S8 | O14 | 109.6° | 104.3° |
S8 | N9 | C10 | 120.3° | 120.0° |
S8 | N9 | HN9 | 106.0° | 120.0° |
O13 | S8 | O14 | 111.0° | 121.0° |
N9 | C10 | C11 | 110.9° | 109.4° |
N9 | C10 | C33 | 109.8° | 109.5° |
C10 | N9 | HN9 | 106.0° | 120.0° |
N9 | C10 | H10 | 108.3° | 109.5° |
C11 | C10 | C33 | 109.3° | 109.5° |
C10 | C11 | N12 | 117.1° | 120.0° |
C10 | C11 | O15 | 120.2° | 120.0° |
C11 | C10 | H10 | 108.7° | 109.5° |
C33 | C10 | H10 | 109.8° | 109.5° |
C10 | C33 | H33 | 109.5° | 109.4° |
C10 | C33 | H33A | 109.4° | 109.5° |
C10 | C33 | H33B | 109.5° | 109.5° |
N12 | C11 | O15 | 122.7° | 120.0° |
C11 | N12 | C16 | 120.3° | 125.6° |
C11 | N12 | C23 | 127.4° | 125.6° |
C16 | N12 | C23 | 112.4° | 108.7° |
N12 | C16 | C17 | 113.2° | 109.9° |
N12 | C16 | C21 | 104.2° | 107.2° |
N12 | C16 | H16 | 110.3° | 109.9° |
N12 | C23 | C22 | 103.2° | 104.7° |
N12 | C23 | H23 | 111.6° | 110.3° |
N12 | C23 | H23A | 111.6° | 110.4° |
C17 | C16 | C21 | 108.4° | 109.9° |
C16 | C17 | O18 | 119.3° | 120.0° |
C16 | C17 | N19 | 118.3° | 120.0° |
C17 | C16 | H16 | 106.2° | 109.9° |
C16 | C21 | C22 | 107.3° | 103.0° |
C21 | C16 | H16 | 114.8° | 110.0° |
C16 | C21 | H21 | 110.2° | 110.7° |
C16 | C21 | H21A | 110.2° | 110.7° |
O18 | C17 | N19 | 122.5° | 120.0° |
C17 | N19 | C20 | 125.7° | 120.0° |
C17 | N19 | HN19 | 117.1° | 120.0° |
N19 | C20 | C24 | 109.6° | 109.5° |
C20 | N19 | HN19 | 117.2° | 120.1° |
N19 | C20 | H20 | 109.5° | 109.5° |
N19 | C20 | H20A | 109.4° | 109.5° |
C20 | C24 | C25 | 119.8° | 119.9° |
C20 | C24 | C31 | 120.2° | 119.9° |
C24 | C20 | H20 | 109.4° | 109.5° |
C24 | C20 | H20A | 109.5° | 109.4° |
C21 | C22 | C23 | 106.7° | 101.5° |
C22 | C21 | H21 | 110.2° | 110.8° |
C22 | C21 | H21A | 110.2° | 110.7° |
C21 | C22 | H22 | 110.4° | 111.0° |
C21 | C22 | H22A | 110.4° | 111.0° |
C23 | C22 | H22 | 110.4° | 111.2° |
C23 | C22 | H22A | 110.4° | 110.9° |
C22 | C23 | H23 | 111.6° | 110.5° |
C22 | C23 | H23A | 111.6° | 110.4° |
C25 | C24 | C31 | 120.1° | 120.2° |
C24 | C25 | C27 | 119.9° | 120.1° |
C24 | C25 | H25 | 120.0° | 119.9° |
C24 | C31 | C29 | 120.0° | 120.2° |
C24 | C31 | H31 | 120.0° | 120.0° |
C25 | C27 | C28 | 120.1° | 119.9° |
C27 | C25 | H25 | 120.1° | 120.0° |
C25 | C27 | H27 | 120.0° | 120.1° |
C28 | C26 | N30 | 120.0° | 120.0° |
C28 | C26 | N32 | 119.9° | 120.0° |
C26 | C28 | C27 | 119.8° | 120.2° |
C26 | C28 | C29 | 120.2° | 120.1° |
N30 | C26 | N32 | 120.0° | 120.0° |
C26 | N30 | HN30 | 112.0° | 120.0° |
C26 | N32 | HN32 | 120.0° | 120.0° |
C26 | N32 | HN3A | 120.0° | 120.0° |
C27 | C28 | C29 | 120.1° | 119.7° |
C28 | C27 | H27 | 120.0° | 120.0° |
C28 | C29 | C31 | 119.9° | 119.8° |
C28 | C29 | H29 | 120.1° | 120.1° |
C31 | C29 | H29 | 120.1° | 120.1° |
C29 | C31 | H31 | 120.0° | 119.9° |
H7 | C7 | H7A | 110.3° | 109.5° |
H20 | C20 | H20A | 109.5° | 109.5° |
H21 | C21 | H21A | 108.7° | 110.8° |
H22 | C22 | H22A | 108.5° | 110.9° |
H23 | C23 | H23A | 107.2° | 110.4° |
HN32 | N32 | HN3A | 120.0° | 120.0° |
H33 | C33 | H33A | 109.5° | 109.5° |
H33 | C33 | H33B | 109.5° | 109.5° |
H33A | C33 | H33B | 109.5° | 109.5° |
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 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.5° | 0.0° |
C2 | C1 | C6 | C5 | 1.3° | 0.1° |
C2 | C1 | C6 | C7 | 180.0° | 180.0° |
C1 | C2 | C3 | H3 | 179.5° | 179.9° |
C6 | C1 | C2 | C3 | 0.9° | 0.0° |
C1 | C6 | C5 | C4 | 1.2° | 0.2° |
C1 | C6 | C5 | C7 | 178.7° | 179.9° |
C1 | C6 | C7 | S8 | 106.5° | 90.0° |
C6 | C1 | C2 | H2 | 179.1° | 180.0° |
C1 | C6 | C5 | H5 | 178.8° | 179.9° |
C1 | C6 | C7 | H7 | 13.5° | 150.0° |
C1 | C6 | C7 | H7A | 133.5° | 30.0° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 0.5° | 0.1° |
C3 | C2 | C1 | H1 | 179.1° | 179.7° |
C2 | C3 | C4 | H4 | 179.6° | 179.9° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.8° | 0.1° |
C4 | C3 | C2 | H2 | 179.5° | 180.0° |
C3 | C4 | C5 | H5 | 179.2° | 179.9° |
C4 | C5 | C6 | H5 | 180.0° | 179.8° |
C4 | C5 | C6 | C7 | 180.0° | 180.0° |
C5 | C4 | C3 | H3 | 179.5° | 180.0° |
C5 | C6 | C7 | S8 | 74.7° | 90.1° |
C5 | C6 | C1 | H1 | 178.8° | 179.6° |
C6 | C5 | C4 | H4 | 179.2° | 179.8° |
C5 | C6 | C7 | H7 | 165.3° | 29.9° |
C5 | C6 | C7 | H7A | 45.2° | 149.8° |
C6 | C7 | S8 | H7 | 120.0° | 120.0° |
C6 | C7 | S8 | H7A | 120.0° | 120.0° |
C6 | C7 | S8 | N9 | 172.1° | 180.0° |
C6 | C7 | S8 | O13 | 70.4° | 68.4° |
C6 | C7 | S8 | O14 | 52.1° | 68.4° |
C7 | C6 | C1 | H1 | 0.0° | 0.3° |
C7 | C6 | C5 | H5 | 0.1° | 0.2° |
C6 | C7 | H7 | H7A | 119.0° | 120.0° |
C7 | S8 | N9 | O13 | 118.1° | 116.1° |
C7 | S8 | N9 | O14 | 120.6° | 116.1° |
C7 | S8 | O13 | O14 | 122.1° | 131.5° |
C7 | S8 | N9 | C10 | 86.0° | 65.0° |
S8 | C7 | H7 | H7A | 119.0° | 120.0° |
C7 | S8 | N9 | HN9 | 154.0° | 115.1° |
N9 | S8 | O13 | O14 | 120.4° | 116.8° |
S8 | N9 | C10 | HN9 | 120.0° | 179.9° |
S8 | N9 | C10 | C11 | 89.6° | 145.0° |
S8 | N9 | C10 | C33 | 149.5° | 95.0° |
N9 | S8 | C7 | H7 | 67.9° | 60.0° |
N9 | S8 | C7 | H7A | 52.1° | 60.0° |
S8 | N9 | C10 | H10 | 29.6° | 25.0° |
O13 | S8 | N9 | C10 | 155.9° | 51.0° |
O13 | S8 | C7 | H7 | 49.6° | 171.7° |
O13 | S8 | C7 | H7A | 169.7° | 51.7° |
O13 | S8 | N9 | HN9 | 35.8° | 128.8° |
O14 | S8 | N9 | C10 | 34.6° | 178.9° |
O14 | S8 | C7 | H7 | 172.0° | 51.6° |
O14 | S8 | C7 | H7A | 67.9° | 171.6° |
O14 | S8 | N9 | HN9 | 85.4° | 1.0° |
N9 | C10 | C11 | C33 | 121.2° | 120.0° |
N9 | C10 | C11 | H10 | 118.9° | 120.0° |
N9 | C10 | C33 | H10 | 118.9° | 120.0° |
N9 | C10 | C11 | N12 | 142.0° | 180.0° |
N9 | C10 | C11 | O15 | 37.6° | 0.0° |
N9 | C10 | C33 | H33 | 180.0° | 60.0° |
N9 | C10 | C33 | H33A | 60.0° | 60.0° |
N9 | C10 | C33 | H33B | 60.0° | 180.0° |
C11 | C10 | C33 | H10 | 119.2° | 120.0° |
C10 | C11 | N12 | O15 | 179.6° | 180.0° |
C10 | C11 | N12 | C16 | 179.6° | 180.0° |
C10 | C11 | N12 | C23 | 0.5° | 0.3° |
C11 | C10 | N9 | HN9 | 30.5° | 34.9° |
C11 | C10 | C33 | H33 | 58.1° | 60.0° |
C11 | C10 | C33 | H33A | 61.9° | 180.0° |
C11 | C10 | C33 | H33B | 178.2° | 60.0° |
C33 | C10 | C11 | N12 | 96.8° | 60.0° |
C33 | C10 | C11 | O15 | 83.6° | 120.0° |
C33 | C10 | N9 | HN9 | 90.5° | 85.1° |
C10 | C33 | H33 | H33A | 120.0° | 120.0° |
C10 | C33 | H33 | H33B | 120.0° | 120.0° |
C10 | C33 | H33A | H33B | 120.0° | 120.0° |
C11 | N12 | C16 | C23 | 179.2° | 179.8° |
C11 | N12 | C16 | C17 | 82.6° | 59.5° |
C11 | N12 | C16 | C21 | 159.9° | 178.9° |
C11 | N12 | C23 | C22 | 153.1° | 155.8° |
N12 | C11 | C10 | H10 | 23.1° | 60.0° |
C11 | N12 | C16 | H16 | 36.2° | 61.5° |
C11 | N12 | C23 | H23 | 33.0° | 85.3° |
C11 | N12 | C23 | H23A | 86.9° | 37.1° |
O15 | C11 | N12 | C16 | 0.8° | 0.1° |
O15 | C11 | N12 | C23 | 179.9° | 179.7° |
O15 | C11 | C10 | H10 | 156.5° | 120.0° |
N12 | C16 | C17 | C21 | 115.1° | 117.8° |
N12 | C16 | C17 | H16 | 121.1° | 121.0° |
N12 | C16 | C21 | H16 | 120.7° | 119.5° |
N12 | C16 | C17 | O18 | 174.4° | 0.0° |
N12 | C16 | C17 | N19 | 6.8° | 180.0° |
N12 | C16 | C21 | C22 | 4.2° | 22.2° |
C16 | N12 | C23 | C22 | 26.1° | 24.4° |
N12 | C16 | C21 | H21 | 124.2° | 140.6° |
N12 | C16 | C21 | H21A | 115.8° | 96.2° |
C16 | N12 | C23 | H23 | 146.1° | 94.5° |
C16 | N12 | C23 | H23A | 94.0° | 143.2° |
C23 | N12 | C16 | C17 | 98.2° | 120.7° |
C23 | N12 | C16 | C21 | 19.3° | 1.3° |
N12 | C23 | C22 | C21 | 21.7° | 37.2° |
N12 | C23 | C22 | H23 | 120.0° | 118.8° |
N12 | C23 | C22 | H23A | 120.0° | 118.8° |
C23 | N12 | C16 | H16 | 143.0° | 118.3° |
N12 | C23 | C22 | H22 | 141.7° | 80.8° |
N12 | C23 | C22 | H22A | 98.3° | 155.3° |
N12 | C23 | H23 | H23A | 122.5° | 122.3° |
C17 | C16 | C21 | H16 | 118.5° | 121.1° |
C16 | C17 | O18 | N19 | 178.8° | 179.9° |
C16 | C17 | N19 | C20 | 179.6° | 179.9° |
C17 | C16 | C21 | C22 | 116.6° | 97.2° |
C16 | C17 | N19 | HN19 | 0.4° | 0.0° |
C17 | C16 | C21 | H21 | 3.5° | 21.2° |
C17 | C16 | C21 | H21A | 123.4° | 144.4° |
C21 | C16 | C17 | O18 | 59.3° | 117.8° |
C21 | C16 | C17 | N19 | 121.8° | 62.2° |
C16 | C21 | C22 | H21 | 120.0° | 118.4° |
C16 | C21 | C22 | H21A | 120.0° | 118.3° |
C16 | C21 | C22 | C23 | 11.0° | 35.6° |
C16 | C21 | H21 | H21A | 120.9° | 123.2° |
C16 | C21 | C22 | H22 | 131.0° | 82.6° |
C16 | C21 | C22 | H22A | 109.0° | 153.6° |
O18 | C17 | N19 | C20 | 1.6° | 0.0° |
O18 | C17 | C16 | H16 | 64.5° | 121.0° |
O18 | C17 | N19 | HN19 | 178.4° | 180.0° |
C17 | N19 | C20 | HN19 | 180.0° | 180.0° |
C17 | N19 | C20 | C24 | 114.1° | 180.0° |
N19 | C17 | C16 | H16 | 114.3° | 59.0° |
C17 | N19 | C20 | H20 | 5.9° | 60.0° |
C17 | N19 | C20 | H20A | 125.9° | 60.0° |
N19 | C20 | C24 | H20 | 120.0° | 120.0° |
N19 | C20 | C24 | H20A | 120.0° | 120.1° |
N19 | C20 | C24 | C25 | 9.7° | 90.0° |
N19 | C20 | C24 | C31 | 169.9° | 90.3° |
N19 | C20 | H20 | H20A | 119.9° | 120.1° |
C20 | C24 | C25 | C31 | 179.6° | 179.7° |
C20 | C24 | C25 | C27 | 179.9° | 179.9° |
C20 | C24 | C31 | C29 | 180.0° | 179.7° |
C24 | C20 | N19 | HN19 | 65.9° | 0.0° |
C24 | C20 | H20 | H20A | 120.0° | 120.0° |
C20 | C24 | C25 | H25 | 0.1° | 0.0° |
C20 | C24 | C31 | H31 | 0.0° | 0.0° |
C21 | C22 | C23 | H22 | 120.0° | 118.1° |
C21 | C22 | C23 | H22A | 120.0° | 118.0° |
C22 | C21 | C16 | H16 | 124.9° | 141.7° |
C22 | C21 | H21 | H21A | 120.9° | 123.3° |
C21 | C22 | H22 | H22A | 121.1° | 123.9° |
C21 | C22 | C23 | H23 | 141.7° | 81.5° |
C21 | C22 | C23 | H23A | 98.3° | 156.0° |
C23 | C22 | C21 | H21 | 109.0° | 154.0° |
C23 | C22 | C21 | H21A | 131.0° | 82.7° |
C23 | C22 | H22 | H22A | 121.2° | 123.9° |
C22 | C23 | H23 | H23A | 122.6° | 122.4° |
C24 | C25 | C27 | H25 | 180.0° | 179.9° |
C24 | C25 | C27 | C28 | 0.3° | 0.1° |
C25 | C24 | C31 | C29 | 0.4° | 0.6° |
C25 | C24 | C20 | H20 | 129.8° | 30.0° |
C25 | C24 | C20 | H20A | 110.3° | 150.0° |
C24 | C25 | C27 | H27 | 179.6° | 180.0° |
C25 | C24 | C31 | H31 | 179.6° | 179.7° |
C31 | C24 | C25 | C27 | 0.3° | 0.4° |
C24 | C31 | C29 | C28 | 0.6° | 0.5° |
C24 | C31 | C29 | H31 | 180.0° | 179.8° |
C31 | C24 | C20 | H20 | 49.9° | 149.7° |
C31 | C24 | C20 | H20A | 70.1° | 29.8° |
C31 | C24 | C25 | H25 | 179.7° | 179.7° |
C24 | C31 | C29 | H29 | 179.4° | 179.7° |
C25 | C27 | C28 | C26 | 179.8° | 180.0° |
C25 | C27 | C28 | H27 | 180.0° | 179.9° |
C25 | C27 | C28 | C29 | 0.5° | 0.1° |
C28 | C26 | N30 | N32 | 179.1° | 180.0° |
C26 | C28 | C27 | C29 | 179.3° | 180.0° |
C26 | C28 | C29 | C31 | 179.9° | 179.8° |
C26 | C28 | C27 | H27 | 0.1° | 0.0° |
C26 | C28 | C29 | H29 | 0.0° | 0.1° |
C28 | C26 | N30 | HN30 | 179.1° | 180.0° |
C28 | C26 | N32 | HN32 | 179.2° | 0.0° |
C28 | C26 | N32 | HN3A | 0.9° | 180.0° |
N30 | C26 | C28 | C27 | 39.6° | 0.0° |
N30 | C26 | C28 | C29 | 139.7° | 180.0° |
N30 | C26 | N32 | HN32 | 0.0° | 180.0° |
N30 | C26 | N32 | HN3A | 180.0° | 0.0° |
N32 | C26 | C28 | C27 | 139.5° | 180.0° |
N32 | C26 | C28 | C29 | 41.2° | 0.0° |
N32 | C26 | N30 | HN30 | 0.0° | 0.0° |
C26 | N32 | HN32 | HN3A | 179.9° | 180.0° |
C27 | C28 | C29 | C31 | 0.6° | 0.2° |
C28 | C27 | C25 | H25 | 179.7° | 180.0° |
C27 | C28 | C29 | H29 | 179.3° | 179.9° |
C28 | C29 | C31 | H29 | 180.0° | 179.8° |
C29 | C28 | C27 | H27 | 179.4° | 180.0° |
C28 | C29 | C31 | H31 | 179.4° | 179.7° |
H1 | C1 | C2 | H2 | 0.9° | 0.3° |
H2 | C2 | C3 | H3 | 0.5° | 0.1° |
H3 | C3 | C4 | H4 | 0.4° | 0.0° |
H4 | C4 | C5 | H5 | 0.8° | 0.0° |
HN9 | N9 | C10 | H10 | 149.6° | 154.9° |
H10 | C10 | C33 | H33 | 61.1° | 180.0° |
H10 | C10 | C33 | H33A | 178.9° | 60.0° |
H10 | C10 | C33 | H33B | 58.9° | 60.0° |
H16 | C16 | C21 | H21 | 115.1° | 99.9° |
H16 | C16 | C21 | H21A | 4.9° | 23.3° |
HN19 | N19 | C20 | H20 | 174.1° | 120.0° |
HN19 | N19 | C20 | H20A | 54.1° | 119.9° |
H21 | C21 | C22 | H22 | 11.0° | 35.8° |
H21 | C21 | C22 | H22A | 131.0° | 88.0° |
H21A | C21 | C22 | H22 | 109.0° | 159.1° |
H21A | C21 | C22 | H22A | 11.0° | 35.3° |
H22 | C22 | C23 | H23 | 98.3° | 160.4° |
H22 | C22 | C23 | H23A | 21.7° | 37.9° |
H22A | C22 | C23 | H23 | 21.7° | 36.5° |
H22A | C22 | C23 | H23A | 141.7° | 86.0° |
H25 | C25 | C27 | H27 | 0.4° | 0.1° |
H29 | C29 | C31 | H31 | 0.6° | 0.1° |
H33 | C33 | H33A | H33B | 120.0° | 120.0° |