PRD_000367
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.63Å | |
| C1 | O | doub | 1.21Å | 1.25Å | |
| C2 | F1 | sing | 1.40Å | 1.35Å | |
| C2 | F2 | sing | 1.40Å | 1.37Å | |
| C2 | F3 | sing | 1.40Å | 1.36Å | |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O1 | doub | 1.21Å | 1.22Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.54Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.45Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 1.01Å | 1.00Å | |
| NZ | HZ2 | sing | 1.01Å | 1.00Å | |
| NZ | HZ3 | sing | 1.01Å | 1.00Å | |
| N1 | CA1 | sing | 1.46Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C3 | sing | 1.51Å | 1.54Å | |
| CA1 | CB1 | sing | 1.53Å | 1.51Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.25Å | |
| CB1 | CG1 | sing | 1.51Å | 1.48Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CG1 | CD2 | sing | 1.38Å | 1.37Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD21 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.37Å | Aromatic |
| CE2 | HE21 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| C11 | N11 | sing | 1.40Å | 1.34Å | |
| C11 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C21 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C31 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C1' | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | C3' | sing | 1.53Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'3 | sing | 1.09Å | 1.10Å | |
| C3' | H3'1 | sing | 1.09Å | 1.10Å | |
| C3' | H3'2 | sing | 1.09Å | 1.10Å | |
| C3' | H3'3 | sing | 1.09Å | 1.10Å | |
| C1 | N | sing | 1.35Å | 1.37Å | |
| C | N1 | sing | 1.35Å | 1.33Å | |
| C3 | N11 | sing | 1.35Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O | 121.6° | 120.0° |
| C1 | C2 | F1 | 119.0° | 109.5° |
| C1 | C2 | F2 | 111.0° | 109.5° |
| C1 | C2 | F3 | 113.9° | 109.4° |
| C2 | C1 | N | 121.7° | 120.0° |
| O | C1 | N | 116.4° | 120.0° |
| F1 | C2 | F2 | 103.4° | 109.5° |
| F1 | C2 | F3 | 103.8° | 109.5° |
| F2 | C2 | F3 | 104.3° | 109.5° |
| CA | N | H | 117.0° | 120.0° |
| N | CA | C | 101.7° | 109.5° |
| N | CA | CB | 118.0° | 109.4° |
| N | CA | HA | 108.0° | 109.5° |
| CA | N | C1 | 126.1° | 120.0° |
| H | N | C1 | 116.9° | 120.0° |
| C | CA | CB | 105.4° | 109.5° |
| C | CA | HA | 120.0° | 109.5° |
| CA | C | O1 | 126.2° | 120.0° |
| CA | C | N1 | 107.2° | 120.0° |
| CB | CA | HA | 104.5° | 109.5° |
| CA | CB | CG | 108.8° | 109.5° |
| CA | CB | HB2 | 109.7° | 109.5° |
| CA | CB | HB3 | 109.8° | 109.4° |
| O1 | C | N1 | 126.1° | 120.0° |
| CG | CB | HB2 | 109.7° | 109.5° |
| CG | CB | HB3 | 109.8° | 109.5° |
| CB | CG | CD | 111.9° | 109.5° |
| CB | CG | HG2 | 108.6° | 109.5° |
| CB | CG | HG3 | 108.1° | 109.4° |
| HB2 | CB | HB3 | 109.0° | 109.5° |
| CD | CG | HG2 | 108.7° | 109.5° |
| CD | CG | HG3 | 108.1° | 109.5° |
| CG | CD | CE | 112.4° | 109.5° |
| CG | CD | HD2 | 108.5° | 109.4° |
| CG | CD | HD3 | 107.8° | 109.5° |
| HG2 | CG | HG3 | 111.5° | 109.5° |
| CE | CD | HD2 | 108.5° | 109.5° |
| CE | CD | HD3 | 107.8° | 109.5° |
| CD | CE | NZ | 112.1° | 109.5° |
| CD | CE | HE2 | 108.6° | 109.5° |
| CD | CE | HE3 | 108.0° | 109.5° |
| HD2 | CD | HD3 | 111.8° | 109.5° |
| NZ | CE | HE2 | 108.6° | 109.5° |
| NZ | CE | HE3 | 108.0° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 109.5° |
| CE | NZ | HZ2 | 109.5° | 109.5° |
| CE | NZ | HZ3 | 109.4° | 109.5° |
| HE2 | CE | HE3 | 111.5° | 109.5° |
| HZ1 | NZ | HZ2 | 109.5° | 109.4° |
| HZ1 | NZ | HZ3 | 109.5° | 109.5° |
| HZ2 | NZ | HZ3 | 109.5° | 109.5° |
| CA1 | N1 | H1 | 116.4° | 120.1° |
| N1 | CA1 | C3 | 116.5° | 109.5° |
| N1 | CA1 | CB1 | 97.6° | 109.5° |
| N1 | CA1 | HA1 | 115.8° | 109.5° |
| CA1 | N1 | C | 127.2° | 120.0° |
| H1 | N1 | C | 116.4° | 120.0° |
| C3 | CA1 | CB1 | 116.9° | 109.4° |
| C3 | CA1 | HA1 | 96.0° | 109.5° |
| CA1 | C3 | O2 | 120.5° | 120.0° |
| CA1 | C3 | N11 | 108.7° | 120.0° |
| CB1 | CA1 | HA1 | 115.4° | 109.5° |
| CA1 | CB1 | CG1 | 112.3° | 109.4° |
| CA1 | CB1 | HB21 | 108.6° | 109.5° |
| CA1 | CB1 | HB31 | 107.9° | 109.5° |
| O2 | C3 | N11 | 130.1° | 120.0° |
| CG1 | CB1 | HB21 | 108.5° | 109.5° |
| CG1 | CB1 | HB31 | 107.9° | 109.5° |
| CB1 | CG1 | CD1 | 120.6° | 120.0° |
| CB1 | CG1 | CD2 | 118.0° | 120.0° |
| HB21 | CB1 | HB31 | 111.7° | 109.4° |
| CD1 | CG1 | CD2 | 121.4° | 120.1° |
| CG1 | CD1 | CE1 | 119.5° | 119.9° |
| CG1 | CD1 | HD1 | 120.2° | 120.1° |
| CG1 | CD2 | CE2 | 119.1° | 120.0° |
| CG1 | CD2 | HD21 | 120.5° | 120.1° |
| CE1 | CD1 | HD1 | 120.2° | 120.0° |
| CD1 | CE1 | CZ | 119.0° | 120.0° |
| CD1 | CE1 | HE1 | 120.5° | 119.9° |
| CE2 | CD2 | HD21 | 120.4° | 120.0° |
| CD2 | CE2 | CZ | 120.2° | 120.0° |
| CD2 | CE2 | HE21 | 119.9° | 120.0° |
| CZ | CE1 | HE1 | 120.5° | 120.0° |
| CE1 | CZ | CE2 | 120.8° | 120.0° |
| CE1 | CZ | HZ | 119.6° | 120.0° |
| CZ | CE2 | HE21 | 119.9° | 120.0° |
| CE2 | CZ | HZ | 119.6° | 120.0° |
| N11 | C11 | C21 | 120.4° | 120.1° |
| N11 | C11 | C6 | 119.2° | 120.1° |
| C11 | N11 | HN11 | 116.2° | 120.0° |
| C11 | N11 | C3 | 127.5° | 120.0° |
| C21 | C11 | C6 | 119.6° | 119.8° |
| C11 | C21 | C31 | 119.9° | 119.9° |
| C11 | C21 | H2 | 120.0° | 120.0° |
| C11 | C6 | C5 | 120.6° | 119.9° |
| C11 | C6 | H6 | 119.7° | 120.0° |
| HN11 | N11 | C3 | 116.3° | 120.0° |
| C31 | C21 | H2 | 120.0° | 120.0° |
| C21 | C31 | C4 | 121.0° | 120.1° |
| C21 | C31 | H3 | 119.5° | 120.0° |
| C4 | C31 | H3 | 119.5° | 120.0° |
| C31 | C4 | C5 | 119.5° | 120.1° |
| C31 | C4 | C1' | 118.2° | 119.9° |
| C5 | C4 | C1' | 122.3° | 119.9° |
| C4 | C5 | C6 | 119.5° | 120.1° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C4 | C1' | C2' | 107.2° | 109.5° |
| C4 | C1' | C3' | 111.6° | 109.5° |
| C4 | C1' | H1' | 111.1° | 109.5° |
| C6 | C5 | H5 | 120.3° | 119.9° |
| C5 | C6 | H6 | 119.7° | 120.1° |
| C2' | C1' | C3' | 113.6° | 109.4° |
| C2' | C1' | H1' | 109.0° | 109.4° |
| C1' | C2' | H2'1 | 109.5° | 109.5° |
| C1' | C2' | H2'2 | 109.5° | 109.5° |
| C1' | C2' | H2'3 | 109.5° | 109.5° |
| C3' | C1' | H1' | 104.3° | 109.5° |
| C1' | C3' | H3'1 | 109.5° | 109.5° |
| C1' | C3' | H3'2 | 109.4° | 109.5° |
| C1' | C3' | H3'3 | 109.4° | 109.5° |
| H2'1 | C2' | H2'2 | 109.4° | 109.4° |
| H2'1 | C2' | H2'3 | 109.5° | 109.4° |
| H2'2 | C2' | H2'3 | 109.5° | 109.5° |
| H3'1 | C3' | H3'2 | 109.5° | 109.4° |
| H3'1 | C3' | H3'3 | 109.4° | 109.4° |
| H3'2 | C3' | H3'3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O | N | 173.6° | 179.8° |
| C1 | C2 | F1 | F2 | 123.6° | 120.0° |
| C1 | C2 | F1 | F3 | 127.8° | 120.0° |
| C1 | C2 | F2 | F3 | 123.0° | 119.9° |
| C2 | C1 | N | CA | 162.3° | 180.0° |
| C2 | C1 | N | H | 17.7° | 0.1° |
| O | C1 | C2 | F1 | 73.6° | 0.1° |
| O | C1 | C2 | F2 | 46.1° | 120.0° |
| O | C1 | C2 | F3 | 163.4° | 120.1° |
| O | C1 | N | CA | 24.1° | 0.2° |
| O | C1 | N | H | 155.9° | 179.7° |
| F1 | C2 | F2 | F3 | 108.3° | 120.0° |
| F1 | C2 | C1 | N | 99.7° | 179.8° |
| F2 | C2 | C1 | N | 140.6° | 60.2° |
| F3 | C2 | C1 | N | 23.3° | 59.8° |
| CA | N | H | C1 | 180.0° | 179.9° |
| N | CA | C | CB | 123.7° | 120.0° |
| N | CA | C | HA | 119.0° | 120.0° |
| N | CA | CB | HA | 119.9° | 120.0° |
| N | CA | C | O1 | 120.2° | 20.0° |
| N | CA | CB | CG | 124.0° | 65.0° |
| N | CA | CB | HB2 | 4.0° | 55.0° |
| N | CA | CB | HB3 | 115.7° | 175.0° |
| N | CA | C | N1 | 68.0° | 160.0° |
| H | N | CA | C | 33.1° | 120.0° |
| H | N | CA | CB | 81.6° | 120.0° |
| H | N | CA | HA | 160.3° | 0.1° |
| C | CA | CB | HA | 127.4° | 120.0° |
| CA | C | O1 | N1 | 170.3° | 180.0° |
| C | CA | CB | CG | 123.3° | 175.0° |
| C | CA | CB | HB2 | 116.7° | 65.0° |
| C | CA | CB | HB3 | 3.1° | 55.0° |
| CA | C | N1 | CA1 | 162.2° | 180.0° |
| CA | C | N1 | H1 | 17.7° | 0.1° |
| C | CA | N | C1 | 146.9° | 59.9° |
| CB | CA | C | O1 | 3.5° | 100.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.3° | 120.0° |
| CA | CB | HB2 | HB3 | 120.3° | 119.9° |
| CA | CB | CG | CD | 170.8° | 180.0° |
| CA | CB | CG | HG2 | 50.9° | 60.0° |
| CA | CB | CG | HG3 | 70.2° | 60.0° |
| CB | CA | N | C1 | 98.4° | 60.1° |
| CB | CA | C | N1 | 168.3° | 80.0° |
| HA | CA | C | O1 | 120.8° | 140.0° |
| HA | CA | CB | CG | 4.1° | 55.0° |
| HA | CA | CB | HB2 | 115.9° | 175.0° |
| HA | CA | CB | HB3 | 124.4° | 65.0° |
| HA | CA | N | C1 | 19.7° | 180.0° |
| HA | CA | C | N1 | 50.9° | 40.0° |
| O1 | C | N1 | CA1 | 26.0° | 0.1° |
| O1 | C | N1 | H1 | 154.0° | 180.0° |
| CG | CB | HB2 | HB3 | 120.3° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 118.9° | 119.9° |
| CB | CG | HG2 | HG3 | 119.0° | 120.0° |
| CB | CG | CD | CE | 166.4° | 180.0° |
| CB | CG | CD | HD2 | 46.4° | 60.0° |
| CB | CG | CD | HD3 | 74.9° | 60.0° |
| HB2 | CB | CG | CD | 69.2° | 60.0° |
| HB2 | CB | CG | HG2 | 170.9° | 180.0° |
| HB2 | CB | CG | HG3 | 49.8° | 60.0° |
| HB3 | CB | CG | CD | 50.6° | 60.0° |
| HB3 | CB | CG | HG2 | 69.4° | 60.0° |
| HB3 | CB | CG | HG3 | 169.5° | 180.0° |
| CD | CG | HG2 | HG3 | 119.0° | 120.0° |
| CG | CD | CE | HD2 | 120.0° | 120.0° |
| CG | CD | CE | HD3 | 118.7° | 120.0° |
| CG | CD | HD2 | HD3 | 118.8° | 120.0° |
| CG | CD | CE | NZ | 75.9° | 180.0° |
| CG | CD | CE | HE2 | 164.1° | 60.0° |
| CG | CD | CE | HE3 | 43.0° | 60.0° |
| HG2 | CG | CD | CE | 73.6° | 60.0° |
| HG2 | CG | CD | HD2 | 166.4° | 180.0° |
| HG2 | CG | CD | HD3 | 45.1° | 60.0° |
| HG3 | CG | CD | CE | 47.5° | 60.0° |
| HG3 | CG | CD | HD2 | 72.5° | 60.0° |
| HG3 | CG | CD | HD3 | 166.2° | 179.9° |
| CE | CD | HD2 | HD3 | 118.8° | 120.1° |
| CD | CE | NZ | HE2 | 120.0° | 120.0° |
| CD | CE | NZ | HE3 | 118.9° | 120.0° |
| CD | CE | HE2 | HE3 | 118.9° | 120.0° |
| CD | CE | NZ | HZ1 | 105.2° | 60.0° |
| CD | CE | NZ | HZ2 | 14.8° | 60.0° |
| CD | CE | NZ | HZ3 | 134.8° | 180.0° |
| HD2 | CD | CE | NZ | 44.2° | 60.0° |
| HD2 | CD | CE | HE2 | 75.8° | 180.0° |
| HD2 | CD | CE | HE3 | 163.0° | 60.0° |
| HD3 | CD | CE | NZ | 165.4° | 60.0° |
| HD3 | CD | CE | HE2 | 45.4° | 60.0° |
| HD3 | CD | CE | HE3 | 75.7° | 180.0° |
| NZ | CE | HE2 | HE3 | 119.0° | 120.0° |
| CE | NZ | HZ1 | HZ2 | 120.0° | 120.0° |
| CE | NZ | HZ1 | HZ3 | 120.0° | 120.0° |
| CE | NZ | HZ2 | HZ3 | 120.0° | 120.0° |
| HE2 | CE | NZ | HZ1 | 134.8° | 180.0° |
| HE2 | CE | NZ | HZ2 | 105.2° | 60.0° |
| HE2 | CE | NZ | HZ3 | 14.8° | 60.0° |
| HE3 | CE | NZ | HZ1 | 13.7° | 60.0° |
| HE3 | CE | NZ | HZ2 | 133.6° | 180.0° |
| HE3 | CE | NZ | HZ3 | 106.4° | 60.0° |
| HZ1 | NZ | HZ2 | HZ3 | 120.0° | 120.0° |
| CA1 | N1 | H1 | C | 180.0° | 179.9° |
| N1 | CA1 | C3 | CB1 | 114.8° | 120.0° |
| N1 | CA1 | C3 | HA1 | 122.8° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 123.3° | 120.1° |
| N1 | CA1 | C3 | O2 | 66.9° | 0.0° |
| N1 | CA1 | CB1 | CG1 | 112.0° | 65.0° |
| N1 | CA1 | CB1 | HB21 | 8.0° | 54.9° |
| N1 | CA1 | CB1 | HB31 | 129.3° | 174.9° |
| N1 | CA1 | C3 | N11 | 121.7° | 180.0° |
| H1 | N1 | CA1 | C3 | 62.6° | 25.0° |
| H1 | N1 | CA1 | CB1 | 62.6° | 95.0° |
| H1 | N1 | CA1 | HA1 | 174.4° | 145.0° |
| C3 | CA1 | CB1 | HA1 | 111.8° | 120.0° |
| CA1 | C3 | O2 | N11 | 169.3° | 180.0° |
| C3 | CA1 | CB1 | CG1 | 123.1° | 175.0° |
| C3 | CA1 | CB1 | HB21 | 116.9° | 65.0° |
| C3 | CA1 | CB1 | HB31 | 4.3° | 55.0° |
| CA1 | C3 | N11 | C11 | 163.8° | 175.4° |
| CA1 | C3 | N11 | HN11 | 16.1° | 4.6° |
| C3 | CA1 | N1 | C | 117.4° | 155.0° |
| CB1 | CA1 | C3 | O2 | 178.3° | 120.0° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB31 | 118.8° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 118.8° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 63.9° | 90.0° |
| CA1 | CB1 | CG1 | CD2 | 114.8° | 90.3° |
| CB1 | CA1 | N1 | C | 117.4° | 85.1° |
| CB1 | CA1 | C3 | N11 | 6.9° | 60.0° |
| HA1 | CA1 | C3 | O2 | 55.9° | 120.0° |
| HA1 | CA1 | CB1 | CG1 | 11.3° | 55.0° |
| HA1 | CA1 | CB1 | HB21 | 131.3° | 175.0° |
| HA1 | CA1 | CB1 | HB31 | 107.5° | 65.0° |
| HA1 | CA1 | N1 | C | 5.6° | 35.0° |
| HA1 | CA1 | C3 | N11 | 115.5° | 60.0° |
| O2 | C3 | N11 | C11 | 25.9° | 4.6° |
| O2 | C3 | N11 | HN11 | 154.2° | 175.4° |
| CG1 | CB1 | HB21 | HB31 | 118.8° | 120.0° |
| CB1 | CG1 | CD1 | CD2 | 178.6° | 179.6° |
| CB1 | CG1 | CD1 | CE1 | 178.7° | 180.0° |
| CB1 | CG1 | CD1 | HD1 | 1.2° | 0.1° |
| CB1 | CG1 | CD2 | CE2 | 178.5° | 180.0° |
| CB1 | CG1 | CD2 | HD21 | 1.5° | 0.1° |
| HB21 | CB1 | CG1 | CD1 | 56.1° | 30.0° |
| HB21 | CB1 | CG1 | CD2 | 125.2° | 149.7° |
| HB31 | CB1 | CG1 | CD1 | 177.4° | 149.9° |
| HB31 | CB1 | CG1 | CD2 | 4.0° | 29.7° |
| CG1 | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG1 | CD2 | CE2 | 0.1° | 0.4° |
| CD1 | CG1 | CD2 | HD21 | 179.9° | 179.7° |
| CG1 | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG1 | CD1 | CE1 | HE1 | 179.9° | 179.9° |
| CD2 | CG1 | CD1 | CE1 | 0.1° | 0.3° |
| CD2 | CG1 | CD1 | HD1 | 179.8° | 179.8° |
| CG1 | CD2 | CE2 | HD21 | 180.0° | 179.9° |
| CG1 | CD2 | CE2 | CZ | 0.4° | 0.1° |
| CG1 | CD2 | CE2 | HE21 | 179.6° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.2° |
| CD1 | CE1 | CZ | HZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.4° | 0.2° |
| CD2 | CE2 | CZ | HE21 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | HZ | 179.6° | 180.0° |
| HD21 | CD2 | CE2 | CZ | 179.6° | 180.0° |
| HD21 | CD2 | CE2 | HE21 | 0.4° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.8° |
| CE1 | CZ | CE2 | HE21 | 179.6° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 179.8° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
| HE21 | CE2 | CZ | HZ | 0.4° | 0.1° |
| N11 | C11 | C21 | C6 | 169.0° | 179.8° |
| C11 | N11 | HN11 | C3 | 180.0° | 180.0° |
| N11 | C11 | C21 | C31 | 167.9° | 180.0° |
| N11 | C11 | C21 | H2 | 12.1° | 0.0° |
| N11 | C11 | C6 | C5 | 168.2° | 179.7° |
| N11 | C11 | C6 | H6 | 11.8° | 0.0° |
| C21 | C11 | N11 | HN11 | 141.7° | 144.9° |
| C11 | C21 | C31 | H2 | 180.0° | 180.0° |
| C11 | C21 | C31 | C4 | 0.5° | 0.0° |
| C11 | C21 | C31 | H3 | 179.5° | 180.0° |
| C21 | C11 | C6 | C5 | 1.0° | 0.5° |
| C21 | C11 | C6 | H6 | 179.0° | 179.7° |
| C21 | C11 | N11 | C3 | 38.2° | 35.1° |
| C6 | C11 | N11 | HN11 | 27.4° | 34.8° |
| C6 | C11 | C21 | C31 | 1.1° | 0.2° |
| C6 | C11 | C21 | H2 | 178.8° | 179.8° |
| C11 | C6 | C5 | C4 | 0.2° | 0.5° |
| C11 | C6 | C5 | H6 | 180.0° | 179.8° |
| C11 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C11 | N11 | C3 | 152.7° | 145.2° |
| C21 | C31 | C4 | H3 | 180.0° | 180.0° |
| C21 | C31 | C4 | C5 | 0.4° | 0.0° |
| C21 | C31 | C4 | C1' | 177.8° | 180.0° |
| H2 | C21 | C31 | C4 | 179.5° | 180.0° |
| H2 | C21 | C31 | H3 | 0.5° | 0.0° |
| C31 | C4 | C5 | C1' | 178.1° | 179.9° |
| C31 | C4 | C5 | C6 | 0.5° | 0.3° |
| C31 | C4 | C5 | H5 | 179.5° | 180.0° |
| C31 | C4 | C1' | C2' | 57.0° | 120.0° |
| C31 | C4 | C1' | C3' | 178.0° | 120.0° |
| C31 | C4 | C1' | H1' | 62.0° | 0.1° |
| H3 | C31 | C4 | C5 | 179.6° | 180.0° |
| H3 | C31 | C4 | C1' | 2.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| C5 | C4 | C1' | C2' | 121.1° | 60.0° |
| C5 | C4 | C1' | C3' | 3.9° | 59.9° |
| C5 | C4 | C1' | H1' | 119.9° | 180.0° |
| C1' | C4 | C5 | C6 | 177.6° | 179.7° |
| C1' | C4 | C5 | H5 | 2.4° | 0.0° |
| C4 | C1' | C2' | C3' | 123.8° | 120.0° |
| C4 | C1' | C2' | H1' | 120.4° | 120.0° |
| C4 | C1' | C3' | H1' | 120.1° | 120.1° |
| C4 | C1' | C2' | H2'1 | 176.9° | 60.0° |
| C4 | C1' | C2' | H2'2 | 63.1° | 60.0° |
| C4 | C1' | C2' | H2'3 | 56.9° | 180.0° |
| C4 | C1' | C3' | H3'1 | 31.1° | 60.0° |
| C4 | C1' | C3' | H3'2 | 88.9° | 180.0° |
| C4 | C1' | C3' | H3'3 | 151.1° | 60.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C2' | C1' | C3' | H1' | 118.6° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 120.0° | 120.0° |
| C1' | C2' | H2'1 | H2'3 | 120.0° | 120.0° |
| C1' | C2' | H2'2 | H2'3 | 120.0° | 120.1° |
| C2' | C1' | C3' | H3'1 | 152.5° | 180.0° |
| C2' | C1' | C3' | H3'2 | 32.5° | 60.0° |
| C2' | C1' | C3' | H3'3 | 87.6° | 60.0° |
| C3' | C1' | C2' | H2'1 | 59.3° | 180.0° |
| C3' | C1' | C2' | H2'2 | 60.7° | 60.0° |
| C3' | C1' | C2' | H2'3 | 179.3° | 60.0° |
| C1' | C3' | H3'1 | H3'2 | 120.0° | 120.0° |
| C1' | C3' | H3'1 | H3'3 | 120.0° | 120.1° |
| C1' | C3' | H3'2 | H3'3 | 120.0° | 120.1° |
| H1' | C1' | C2' | H2'1 | 56.6° | 60.0° |
| H1' | C1' | C2' | H2'2 | 176.5° | 180.0° |
| H1' | C1' | C2' | H2'3 | 63.4° | 60.0° |
| H1' | C1' | C3' | H3'1 | 88.9° | 60.0° |
| H1' | C1' | C3' | H3'2 | 151.1° | 59.9° |
| H1' | C1' | C3' | H3'3 | 31.0° | 180.0° |
| H2'1 | C2' | H2'2 | H2'3 | 120.0° | 119.9° |
| H3'1 | C3' | H3'2 | H3'3 | 120.0° | 119.9° |
