A1ATA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C10 | N12 | sing | 1.35Å | 1.54Å | |
| C10 | O11 | doub | 1.21Å | 1.15Å | |
| CG | CD2 | sing | 1.55Å | 1.31Å | |
| CG | C01 | sing | 1.51Å | 1.49Å | |
| ND1 | CE2 | sing | 1.47Å | 1.30Å | |
| ND1 | CZ | sing | 1.38Å | 1.49Å | |
| CD2 | CE1 | sing | 1.55Å | 1.57Å | |
| CE1 | CE2 | sing | 1.54Å | 1.60Å | |
| CZ | NH1 | doub | 1.30Å | 1.26Å | |
| CZ | NH2 | sing | 1.38Å | 1.24Å | |
| C01 | N02 | sing | 1.35Å | 1.47Å | |
| C01 | O27 | doub | 1.21Å | 1.18Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | N02 | sing | 1.47Å | 1.46Å | |
| C04 | N05 | sing | 1.47Å | 1.45Å | |
| C06 | N05 | sing | 1.35Å | 1.49Å | |
| C06 | N07 | sing | 1.35Å | 1.51Å | |
| C06 | O24 | doub | 1.22Å | 1.21Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C08 | N07 | sing | 1.47Å | 1.55Å | |
| C09 | C21 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.47Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | F16 | sing | 1.35Å | 1.35Å | |
| C17 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.80Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | N07 | sing | 1.47Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.59Å | |
| C25 | N05 | sing | 1.47Å | 1.44Å | |
| C26 | N02 | sing | 1.47Å | 1.48Å | |
| CG | H1 | sing | 1.09Å | 1.10Å | |
| CD2 | H4 | sing | 1.09Å | 1.10Å | |
| CD2 | H5 | sing | 1.09Å | 1.10Å | |
| CE1 | H6 | sing | 1.09Å | 1.10Å | |
| CE1 | H7 | sing | 1.09Å | 1.10Å | |
| CE2 | H8 | sing | 1.09Å | 1.10Å | |
| CE2 | H9 | sing | 1.09Å | 1.10Å | |
| NH1 | H10 | sing | 0.97Å | 1.00Å | |
| NH2 | H11 | sing | 0.97Å | 1.00Å | |
| NH2 | H12 | sing | 0.97Å | 1.00Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| N12 | H33 | sing | 0.97Å | 1.00Å | |
| ND1 | CG | sing | 1.47Å | 1.68Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | N12 | 116.8° | 120.0° |
| C09 | C10 | O11 | 119.3° | 120.0° |
| C10 | C09 | C08 | 132.9° | 109.5° |
| C10 | C09 | C21 | 95.9° | 109.5° |
| C10 | C09 | H19 | 104.5° | 109.5° |
| N12 | C10 | O11 | 123.9° | 120.0° |
| C10 | N12 | C13 | 124.7° | 120.0° |
| C10 | N12 | H33 | 117.6° | 120.0° |
| CD2 | CG | C01 | 104.7° | 110.4° |
| CG | CD2 | CE1 | 104.2° | 101.6° |
| CD2 | CG | H1 | 114.5° | 110.4° |
| CG | CD2 | H4 | 110.8° | 111.0° |
| CG | CD2 | H5 | 110.8° | 111.0° |
| CD2 | CG | ND1 | 110.4° | 104.8° |
| CG | C01 | N02 | 123.7° | 120.0° |
| CG | C01 | O27 | 117.8° | 120.0° |
| C01 | CG | H1 | 111.5° | 110.4° |
| C01 | CG | ND1 | 106.3° | 110.3° |
| CE2 | ND1 | CZ | 126.7° | 125.6° |
| ND1 | CE2 | CE1 | 106.3° | 107.3° |
| ND1 | CE2 | H8 | 110.3° | 109.9° |
| ND1 | CE2 | H9 | 110.3° | 109.9° |
| CE2 | ND1 | CG | 106.4° | 108.7° |
| ND1 | CZ | NH1 | 121.8° | 120.0° |
| ND1 | CZ | NH2 | 118.4° | 120.0° |
| CZ | ND1 | CG | 126.9° | 125.7° |
| CD2 | CE1 | CE2 | 104.4° | 102.9° |
| CE1 | CD2 | H4 | 110.7° | 111.0° |
| CE1 | CD2 | H5 | 110.8° | 111.0° |
| CD2 | CE1 | H6 | 110.7° | 110.7° |
| CD2 | CE1 | H7 | 110.7° | 110.7° |
| CE2 | CE1 | H6 | 110.8° | 110.7° |
| CE2 | CE1 | H7 | 110.7° | 110.7° |
| CE1 | CE2 | H8 | 110.3° | 109.9° |
| CE1 | CE2 | H9 | 110.3° | 109.8° |
| NH1 | CZ | NH2 | 119.8° | 120.0° |
| CZ | NH1 | H10 | 112.0° | 120.1° |
| CZ | NH2 | H11 | 120.0° | 119.9° |
| CZ | NH2 | H12 | 120.0° | 120.0° |
| N02 | C01 | O27 | 118.4° | 120.0° |
| C01 | N02 | C03 | 113.6° | 120.6° |
| C01 | N02 | C26 | 128.2° | 120.6° |
| C04 | C03 | N02 | 111.8° | 108.6° |
| C03 | C04 | N05 | 109.6° | 108.6° |
| C04 | C03 | H13 | 108.9° | 109.6° |
| C04 | C03 | H14 | 108.9° | 109.6° |
| C03 | C04 | H15 | 109.5° | 109.6° |
| C03 | C04 | H16 | 109.4° | 109.6° |
| C03 | N02 | C26 | 118.2° | 118.8° |
| N02 | C03 | H13 | 108.9° | 109.6° |
| N02 | C03 | H14 | 108.9° | 109.6° |
| C04 | N05 | C06 | 120.4° | 120.6° |
| C04 | N05 | C25 | 108.5° | 118.9° |
| N05 | C04 | H15 | 109.4° | 109.6° |
| N05 | C04 | H16 | 109.4° | 109.6° |
| N05 | C06 | N07 | 125.9° | 120.0° |
| N05 | C06 | O24 | 116.6° | 120.0° |
| C06 | N05 | C25 | 130.9° | 120.6° |
| N07 | C06 | O24 | 117.5° | 120.0° |
| C06 | N07 | C08 | 131.9° | 120.6° |
| C06 | N07 | C23 | 118.0° | 120.6° |
| C09 | C08 | N07 | 88.9° | 108.8° |
| C08 | C09 | C21 | 111.9° | 109.3° |
| C09 | C08 | H17 | 114.4° | 109.6° |
| C09 | C08 | H18 | 114.3° | 109.6° |
| C08 | C09 | H19 | 104.4° | 109.5° |
| C08 | N07 | C23 | 109.8° | 118.7° |
| N07 | C08 | H17 | 114.3° | 109.5° |
| N07 | C08 | H18 | 114.3° | 109.6° |
| C09 | C21 | C22 | 118.0° | 109.5° |
| C21 | C09 | H19 | 104.3° | 109.5° |
| C09 | C21 | H23 | 107.3° | 109.4° |
| C09 | C21 | H24 | 107.3° | 109.4° |
| C14 | C13 | C20 | 120.0° | 119.9° |
| C14 | C13 | N12 | 120.4° | 120.0° |
| C13 | C14 | C15 | 119.9° | 119.9° |
| C13 | C14 | H20 | 120.0° | 120.1° |
| C20 | C13 | N12 | 119.7° | 120.1° |
| C13 | C20 | C19 | 120.2° | 120.0° |
| C13 | C20 | H22 | 119.9° | 120.0° |
| C13 | N12 | H33 | 117.6° | 120.0° |
| C14 | C15 | C17 | 120.2° | 120.0° |
| C14 | C15 | F16 | 119.6° | 120.0° |
| C15 | C14 | H20 | 120.1° | 120.0° |
| C17 | C15 | F16 | 120.2° | 120.0° |
| C15 | C17 | C19 | 120.1° | 120.1° |
| C15 | C17 | CL1 | 119.9° | 119.9° |
| C19 | C17 | CL1 | 120.0° | 120.0° |
| C17 | C19 | C20 | 119.6° | 120.1° |
| C17 | C19 | H21 | 120.2° | 120.0° |
| C20 | C19 | H21 | 120.2° | 120.0° |
| C19 | C20 | H22 | 119.9° | 120.0° |
| C21 | C22 | C23 | 106.6° | 109.3° |
| C22 | C21 | H23 | 107.3° | 109.5° |
| C22 | C21 | H24 | 107.3° | 109.4° |
| C21 | C22 | H25 | 110.2° | 109.5° |
| C21 | C22 | H26 | 110.2° | 109.5° |
| C22 | C23 | N07 | 110.5° | 108.8° |
| C23 | C22 | H25 | 110.2° | 109.5° |
| C23 | C22 | H26 | 110.2° | 109.5° |
| C22 | C23 | H27 | 109.2° | 109.6° |
| C22 | C23 | H28 | 109.2° | 109.6° |
| N07 | C23 | H27 | 109.2° | 109.6° |
| N07 | C23 | H28 | 109.2° | 109.6° |
| C26 | C25 | N05 | 101.5° | 108.6° |
| C25 | C26 | N02 | 117.6° | 108.7° |
| C26 | C25 | H29 | 111.4° | 109.7° |
| C26 | C25 | H30 | 111.4° | 109.7° |
| C25 | C26 | H31 | 107.4° | 109.5° |
| C25 | C26 | H32 | 107.4° | 109.6° |
| N05 | C25 | H29 | 111.4° | 109.6° |
| N05 | C25 | H30 | 111.4° | 109.5° |
| N02 | C26 | H31 | 107.4° | 109.6° |
| N02 | C26 | H32 | 107.4° | 109.7° |
| H1 | CG | ND1 | 109.0° | 110.4° |
| H4 | CD2 | H5 | 109.5° | 110.9° |
| H6 | CE1 | H7 | 109.4° | 110.8° |
| H8 | CE2 | H9 | 109.5° | 110.0° |
| H11 | NH2 | H12 | 120.0° | 120.0° |
| H13 | C03 | H14 | 109.5° | 109.8° |
| H15 | C04 | H16 | 109.5° | 109.8° |
| H17 | C08 | H18 | 109.5° | 109.7° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.6° |
| H27 | C23 | H28 | 109.4° | 109.7° |
| H29 | C25 | H30 | 109.5° | 109.8° |
| H31 | C26 | H32 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | N12 | O11 | 179.6° | 179.7° |
| C10 | C09 | C08 | C21 | 121.6° | 119.9° |
| C10 | C09 | C08 | H19 | 126.2° | 120.1° |
| C10 | C09 | C08 | N07 | 169.2° | 174.5° |
| C10 | C09 | C21 | H19 | 106.6° | 120.1° |
| C09 | C10 | N12 | C13 | 179.9° | 175.5° |
| C10 | C09 | C21 | C22 | 161.9° | 178.7° |
| C10 | C09 | C08 | H17 | 74.5° | 54.8° |
| C10 | C09 | C08 | H18 | 52.8° | 65.6° |
| C10 | C09 | C21 | H23 | 40.7° | 58.6° |
| C10 | C09 | C21 | H24 | 76.9° | 61.3° |
| C09 | C10 | N12 | H33 | 0.1° | 4.5° |
| N12 | C10 | C09 | C08 | 169.6° | 60.0° |
| N12 | C10 | C09 | C21 | 63.1° | 179.8° |
| C10 | N12 | C13 | C14 | 0.1° | 35.8° |
| C10 | N12 | C13 | C20 | 179.7° | 144.5° |
| C10 | N12 | C13 | H33 | 180.0° | 180.0° |
| N12 | C10 | C09 | H19 | 43.4° | 60.1° |
| O11 | C10 | C09 | C08 | 10.8° | 119.7° |
| O11 | C10 | C09 | C21 | 116.6° | 0.1° |
| O11 | C10 | N12 | C13 | 0.3° | 4.3° |
| O11 | C10 | C09 | H19 | 137.0° | 120.1° |
| O11 | C10 | N12 | H33 | 179.7° | 175.8° |
| CD2 | CG | C01 | H1 | 124.4° | 122.3° |
| CD2 | CG | C01 | ND1 | 116.9° | 115.4° |
| CD2 | CG | ND1 | CE2 | 0.9° | 24.1° |
| CD2 | CG | ND1 | CZ | 178.7° | 155.9° |
| CG | CD2 | CE1 | H4 | 119.1° | 118.1° |
| CG | CD2 | CE1 | H5 | 119.1° | 118.0° |
| CG | CD2 | CE1 | CE2 | 26.9° | 35.5° |
| CD2 | CG | C01 | N02 | 91.4° | 80.0° |
| CD2 | CG | C01 | O27 | 85.5° | 99.9° |
| CD2 | CG | H1 | ND1 | 124.3° | 115.5° |
| CG | CD2 | H4 | H5 | 122.4° | 123.8° |
| CG | CD2 | CE1 | H6 | 146.1° | 153.9° |
| CG | CD2 | CE1 | H7 | 92.3° | 82.8° |
| C01 | CG | ND1 | CE2 | 112.2° | 143.0° |
| C01 | CG | ND1 | CZ | 68.3° | 37.0° |
| C01 | CG | CD2 | CE1 | 130.9° | 155.8° |
| CG | C01 | N02 | O27 | 176.9° | 180.0° |
| CG | C01 | N02 | C03 | 178.4° | 180.0° |
| CG | C01 | N02 | C26 | 3.6° | 0.1° |
| C01 | CG | H1 | ND1 | 117.1° | 122.2° |
| C01 | CG | CD2 | H4 | 11.8° | 37.7° |
| C01 | CG | CD2 | H5 | 109.9° | 86.1° |
| CE2 | ND1 | CZ | CG | 179.5° | 180.0° |
| ND1 | CE2 | CE1 | CD2 | 28.3° | 22.2° |
| ND1 | CE2 | CE1 | H8 | 119.5° | 119.4° |
| ND1 | CE2 | CE1 | H9 | 119.5° | 119.5° |
| CE2 | ND1 | CZ | NH1 | 179.6° | 180.0° |
| CE2 | ND1 | CZ | NH2 | 0.2° | 0.0° |
| CE2 | ND1 | CG | H1 | 127.5° | 94.8° |
| ND1 | CE2 | CE1 | H6 | 147.5° | 140.6° |
| ND1 | CE2 | CE1 | H7 | 90.9° | 96.2° |
| ND1 | CE2 | H8 | H9 | 121.5° | 121.1° |
| CZ | ND1 | CE2 | CE1 | 161.6° | 178.9° |
| ND1 | CZ | NH1 | NH2 | 179.4° | 180.0° |
| CZ | ND1 | CG | H1 | 52.0° | 85.2° |
| CZ | ND1 | CE2 | H8 | 42.1° | 61.6° |
| CZ | ND1 | CE2 | H9 | 78.9° | 59.6° |
| ND1 | CZ | NH1 | H10 | 179.4° | 180.0° |
| ND1 | CZ | NH2 | H11 | 179.4° | 0.0° |
| ND1 | CZ | NH2 | H12 | 0.6° | 180.0° |
| CD2 | CE1 | CE2 | H6 | 119.2° | 118.4° |
| CD2 | CE1 | CE2 | H7 | 119.2° | 118.3° |
| CE1 | CD2 | CG | H1 | 106.6° | 81.9° |
| CE1 | CD2 | H4 | H5 | 122.5° | 123.9° |
| CD2 | CE1 | H6 | H7 | 122.3° | 123.3° |
| CD2 | CE1 | CE2 | H8 | 147.8° | 141.6° |
| CD2 | CE1 | CE2 | H9 | 91.2° | 97.3° |
| CE1 | CD2 | CG | ND1 | 16.9° | 37.0° |
| CE2 | CE1 | CD2 | H4 | 92.3° | 82.6° |
| CE2 | CE1 | CD2 | H5 | 146.0° | 153.5° |
| CE2 | CE1 | H6 | H7 | 122.4° | 123.2° |
| CE1 | CE2 | H8 | H9 | 121.5° | 121.0° |
| CE1 | CE2 | ND1 | CG | 18.0° | 1.1° |
| NH1 | CZ | NH2 | H11 | 0.0° | 180.0° |
| NH1 | CZ | NH2 | H12 | 180.0° | 0.0° |
| NH1 | CZ | ND1 | CG | 0.1° | 0.0° |
| NH2 | CZ | NH1 | H10 | 0.0° | 0.0° |
| CZ | NH2 | H11 | H12 | 180.0° | 180.0° |
| NH2 | CZ | ND1 | CG | 179.3° | 180.0° |
| C01 | N02 | C03 | C04 | 152.0° | 124.8° |
| C01 | N02 | C03 | C26 | 178.2° | 180.0° |
| C01 | N02 | C26 | C25 | 150.8° | 124.8° |
| N02 | C01 | CG | H1 | 32.9° | 42.3° |
| C01 | N02 | C03 | H13 | 31.7° | 115.5° |
| C01 | N02 | C03 | H14 | 87.7° | 5.1° |
| C01 | N02 | C26 | H31 | 88.0° | 5.1° |
| C01 | N02 | C26 | H32 | 29.6° | 115.4° |
| N02 | C01 | CG | ND1 | 151.6° | 164.6° |
| O27 | C01 | N02 | C03 | 1.5° | 0.0° |
| O27 | C01 | N02 | C26 | 179.4° | 180.0° |
| O27 | C01 | CG | H1 | 150.1° | 137.7° |
| O27 | C01 | CG | ND1 | 31.4° | 15.5° |
| C04 | C03 | N02 | H13 | 120.3° | 119.7° |
| C04 | C03 | N02 | H14 | 120.3° | 119.7° |
| C03 | C04 | N05 | H15 | 120.0° | 119.7° |
| C03 | C04 | N05 | H16 | 120.0° | 119.8° |
| C03 | C04 | N05 | C06 | 99.0° | 124.8° |
| C03 | C04 | N05 | C25 | 76.9° | 55.2° |
| C04 | C03 | N02 | C26 | 26.2° | 55.2° |
| C04 | C03 | H13 | H14 | 118.9° | 120.4° |
| C03 | C04 | H15 | H16 | 120.0° | 120.4° |
| N02 | C03 | C04 | N05 | 48.7° | 49.4° |
| C03 | N02 | C26 | C25 | 27.1° | 55.3° |
| N02 | C03 | H13 | H14 | 119.0° | 120.5° |
| N02 | C03 | C04 | H15 | 168.7° | 70.3° |
| N02 | C03 | C04 | H16 | 71.3° | 169.2° |
| C03 | N02 | C26 | H31 | 94.1° | 174.9° |
| C03 | N02 | C26 | H32 | 148.2° | 64.5° |
| C04 | N05 | C06 | C25 | 174.9° | 180.0° |
| C04 | N05 | C06 | N07 | 177.8° | 162.9° |
| C04 | N05 | C06 | O24 | 1.5° | 17.0° |
| C04 | N05 | C25 | C26 | 70.5° | 55.2° |
| N05 | C04 | C03 | H13 | 169.0° | 70.3° |
| N05 | C04 | C03 | H14 | 71.7° | 169.1° |
| N05 | C04 | H15 | H16 | 120.0° | 120.5° |
| C04 | N05 | C25 | H29 | 48.2° | 175.0° |
| C04 | N05 | C25 | H30 | 170.8° | 64.5° |
| N05 | C06 | N07 | O24 | 179.3° | 180.0° |
| N05 | C06 | N07 | C08 | 4.7° | 163.3° |
| N05 | C06 | N07 | C23 | 177.0° | 16.7° |
| C06 | N05 | C25 | C26 | 104.9° | 124.7° |
| C06 | N05 | C04 | H15 | 21.0° | 115.6° |
| C06 | N05 | C04 | H16 | 141.0° | 5.0° |
| C06 | N05 | C25 | H29 | 136.4° | 5.0° |
| C06 | N05 | C25 | H30 | 13.8° | 115.5° |
| C06 | N07 | C08 | C09 | 91.4° | 126.4° |
| C06 | N07 | C08 | C23 | 172.7° | 180.0° |
| C06 | N07 | C23 | C22 | 98.4° | 126.4° |
| N07 | C06 | N05 | C25 | 2.9° | 17.1° |
| C06 | N07 | C08 | H17 | 152.2° | 113.8° |
| C06 | N07 | C08 | H18 | 24.9° | 6.6° |
| C06 | N07 | C23 | H27 | 21.8° | 6.6° |
| C06 | N07 | C23 | H28 | 141.4° | 113.8° |
| O24 | C06 | N07 | C08 | 175.9° | 16.7° |
| O24 | C06 | N07 | C23 | 3.7° | 163.3° |
| O24 | C06 | N05 | C25 | 176.4° | 162.9° |
| C09 | C08 | N07 | H17 | 116.4° | 119.8° |
| C09 | C08 | N07 | H18 | 116.3° | 119.8° |
| C08 | C09 | C21 | H19 | 112.3° | 120.0° |
| C08 | C09 | C21 | C22 | 57.0° | 61.3° |
| C09 | C08 | N07 | C23 | 81.3° | 53.6° |
| C09 | C08 | H17 | H18 | 129.8° | 120.4° |
| C08 | C09 | C21 | H23 | 178.2° | 178.6° |
| C08 | C09 | C21 | H24 | 64.2° | 58.6° |
| N07 | C08 | C09 | C21 | 69.2° | 54.6° |
| C08 | N07 | C23 | C22 | 75.5° | 53.6° |
| N07 | C08 | H17 | H18 | 129.8° | 120.3° |
| N07 | C08 | C09 | H19 | 42.9° | 65.4° |
| C08 | N07 | C23 | H27 | 164.3° | 173.4° |
| C08 | N07 | C23 | H28 | 44.7° | 66.2° |
| C09 | C21 | C22 | H23 | 121.2° | 120.0° |
| C09 | C21 | C22 | H24 | 121.2° | 120.0° |
| C09 | C21 | C22 | C23 | 36.2° | 61.4° |
| C21 | C09 | C08 | H17 | 47.1° | 65.1° |
| C21 | C09 | C08 | H18 | 174.4° | 174.4° |
| C09 | C21 | H23 | H24 | 116.1° | 119.9° |
| C09 | C21 | C22 | H25 | 83.3° | 58.6° |
| C09 | C21 | C22 | H26 | 155.7° | 178.7° |
| C14 | C13 | C20 | N12 | 179.8° | 179.7° |
| C13 | C14 | C15 | H20 | 180.0° | 179.9° |
| C13 | C14 | C15 | C17 | 0.3° | 0.1° |
| C13 | C14 | C15 | F16 | 179.9° | 179.9° |
| C14 | C13 | C20 | C19 | 0.3° | 0.0° |
| C14 | C13 | C20 | H22 | 179.7° | 180.0° |
| C14 | C13 | N12 | H33 | 179.9° | 144.2° |
| C20 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C20 | C19 | C17 | 0.2° | 0.0° |
| C13 | C20 | C19 | H22 | 180.0° | 180.0° |
| C20 | C13 | C14 | H20 | 180.0° | 180.0° |
| C13 | C20 | C19 | H21 | 179.8° | 180.0° |
| C20 | C13 | N12 | H33 | 0.3° | 35.5° |
| N12 | C13 | C14 | C15 | 179.8° | 179.7° |
| N12 | C13 | C20 | C19 | 179.9° | 179.8° |
| N12 | C13 | C14 | H20 | 0.2° | 0.2° |
| N12 | C13 | C20 | H22 | 0.1° | 0.3° |
| C14 | C15 | C17 | F16 | 179.6° | 179.9° |
| C14 | C15 | C17 | C19 | 0.4° | 0.1° |
| C14 | C15 | C17 | CL1 | 179.8° | 179.9° |
| C15 | C17 | C19 | CL1 | 179.8° | 180.0° |
| C15 | C17 | C19 | C20 | 0.1° | 0.0° |
| C17 | C15 | C14 | H20 | 179.7° | 180.0° |
| C15 | C17 | C19 | H21 | 179.9° | 179.9° |
| F16 | C15 | C17 | C19 | 180.0° | 179.9° |
| F16 | C15 | C17 | CL1 | 0.2° | 0.1° |
| F16 | C15 | C14 | H20 | 0.1° | 0.1° |
| C17 | C19 | C20 | H21 | 180.0° | 179.9° |
| C17 | C19 | C20 | H22 | 179.8° | 180.0° |
| CL1 | C17 | C19 | C20 | 180.0° | 180.0° |
| CL1 | C17 | C19 | H21 | 0.0° | 0.1° |
| C21 | C22 | C23 | H25 | 119.5° | 120.0° |
| C21 | C22 | C23 | H26 | 119.5° | 119.9° |
| C21 | C22 | C23 | N07 | 43.0° | 54.7° |
| C22 | C21 | C09 | H19 | 55.3° | 58.7° |
| C22 | C21 | H23 | H24 | 116.2° | 120.0° |
| C21 | C22 | H25 | H26 | 121.3° | 120.1° |
| C21 | C22 | C23 | H27 | 163.2° | 174.4° |
| C21 | C22 | C23 | H28 | 77.2° | 65.1° |
| C22 | C23 | N07 | H27 | 120.2° | 119.8° |
| C22 | C23 | N07 | H28 | 120.2° | 119.8° |
| C23 | C22 | C21 | H23 | 157.4° | 178.6° |
| C23 | C22 | C21 | H24 | 85.0° | 58.6° |
| C23 | C22 | H25 | H26 | 121.3° | 120.1° |
| C22 | C23 | H27 | H28 | 119.5° | 120.4° |
| C23 | N07 | C08 | H17 | 35.0° | 66.2° |
| C23 | N07 | C08 | H18 | 162.4° | 173.4° |
| N07 | C23 | C22 | H25 | 76.5° | 65.3° |
| N07 | C23 | C22 | H26 | 162.6° | 174.6° |
| N07 | C23 | H27 | H28 | 119.5° | 120.4° |
| C26 | C25 | N05 | H29 | 118.7° | 119.8° |
| C26 | C25 | N05 | H30 | 118.7° | 119.7° |
| C25 | C26 | N02 | H31 | 121.2° | 119.7° |
| C25 | C26 | N02 | H32 | 121.2° | 119.8° |
| C26 | C25 | H29 | H30 | 123.7° | 120.5° |
| C25 | C26 | H31 | H32 | 116.3° | 120.4° |
| N05 | C25 | C26 | N02 | 46.6° | 49.4° |
| C25 | N05 | C04 | H15 | 163.1° | 64.5° |
| C25 | N05 | C04 | H16 | 43.1° | 175.0° |
| N05 | C25 | H29 | H30 | 123.7° | 120.4° |
| N05 | C25 | C26 | H31 | 74.6° | 169.2° |
| N05 | C25 | C26 | H32 | 167.8° | 70.4° |
| C26 | N02 | C03 | H13 | 146.5° | 64.5° |
| C26 | N02 | C03 | H14 | 94.2° | 174.9° |
| N02 | C26 | C25 | H29 | 72.1° | 169.2° |
| N02 | C26 | C25 | H30 | 165.3° | 70.2° |
| N02 | C26 | H31 | H32 | 116.3° | 120.5° |
| H1 | CG | CD2 | H4 | 134.2° | 160.0° |
| H1 | CG | CD2 | H5 | 12.5° | 36.2° |
| H4 | CD2 | CE1 | H6 | 26.9° | 35.8° |
| H4 | CD2 | CE1 | H7 | 148.5° | 159.1° |
| H4 | CD2 | CG | ND1 | 102.3° | 81.1° |
| H5 | CD2 | CE1 | H6 | 94.8° | 88.1° |
| H5 | CD2 | CE1 | H7 | 26.8° | 35.2° |
| H5 | CD2 | CG | ND1 | 136.0° | 155.1° |
| H6 | CE1 | CE2 | H8 | 93.0° | 100.0° |
| H6 | CE1 | CE2 | H9 | 28.0° | 21.1° |
| H7 | CE1 | CE2 | H8 | 28.6° | 23.3° |
| H7 | CE1 | CE2 | H9 | 149.6° | 144.4° |
| H8 | CE2 | ND1 | CG | 137.5° | 118.4° |
| H9 | CE2 | ND1 | CG | 101.5° | 120.5° |
| H13 | C03 | C04 | H15 | 71.0° | 169.9° |
| H13 | C03 | C04 | H16 | 49.0° | 49.4° |
| H14 | C03 | C04 | H15 | 48.3° | 49.4° |
| H14 | C03 | C04 | H16 | 168.4° | 71.1° |
| H17 | C08 | C09 | H19 | 159.3° | 174.9° |
| H18 | C08 | C09 | H19 | 73.4° | 54.5° |
| H19 | C09 | C21 | H23 | 66.0° | 61.4° |
| H19 | C09 | C21 | H24 | 176.5° | 178.6° |
| H21 | C19 | C20 | H22 | 0.2° | 0.1° |
| H23 | C21 | C22 | H25 | 37.9° | 61.4° |
| H23 | C21 | C22 | H26 | 83.1° | 58.7° |
| H24 | C21 | C22 | H25 | 155.5° | 178.6° |
| H24 | C21 | C22 | H26 | 34.5° | 61.3° |
| H25 | C22 | C23 | H27 | 43.7° | 54.5° |
| H25 | C22 | C23 | H28 | 163.3° | 174.9° |
| H26 | C22 | C23 | H27 | 77.3° | 65.7° |
| H26 | C22 | C23 | H28 | 42.4° | 54.8° |
| H29 | C25 | C26 | H31 | 166.7° | 71.1° |
| H29 | C25 | C26 | H32 | 49.1° | 49.3° |
| H30 | C25 | C26 | H31 | 44.1° | 49.5° |
| H30 | C25 | C26 | H32 | 73.5° | 169.9° |
