PRD_000368
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.58Å | |
| C1 | O | doub | 1.21Å | 1.25Å | |
| C2 | F1 | sing | 1.40Å | 1.31Å | |
| C2 | F2 | sing | 1.40Å | 1.32Å | |
| C2 | F3 | sing | 1.40Å | 1.31Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O1 | doub | 1.21Å | 1.23Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| 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 | 1.53Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.46Å | |
| 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 | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C3 | sing | 1.51Å | 1.53Å | |
| CA1 | CB1 | sing | 1.53Å | 1.57Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.23Å | |
| CB1 | CG1 | sing | 1.53Å | 1.56Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.49Å | |
| CG1 | CD2 | sing | 1.53Å | 1.48Å | |
| CG1 | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| C11 | N11 | sing | 1.40Å | 1.35Å | |
| C11 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C21 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C31 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C1' | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | C3' | sing | 1.53Å | 1.52Å | |
| 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 | 1.35Å | |
| C | N1 | sing | 1.35Å | 1.35Å | |
| C3 | N11 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O | 123.8° | 120.0° |
| C1 | C2 | F1 | 116.5° | 109.5° |
| C1 | C2 | F2 | 116.9° | 109.5° |
| C1 | C2 | F3 | 108.7° | 109.5° |
| C2 | C1 | N | 116.9° | 120.0° |
| O | C1 | N | 119.2° | 120.0° |
| F1 | C2 | F2 | 104.2° | 109.5° |
| F1 | C2 | F3 | 104.0° | 109.5° |
| F2 | C2 | F3 | 105.2° | 109.4° |
| CA | N | H | 119.2° | 120.0° |
| N | CA | C | 100.3° | 109.4° |
| N | CA | CB | 114.0° | 109.4° |
| N | CA | HA | 112.4° | 109.5° |
| CA | N | C1 | 121.7° | 120.0° |
| H | N | C1 | 119.1° | 120.0° |
| C | CA | CB | 108.9° | 109.5° |
| C | CA | HA | 117.3° | 109.5° |
| CA | C | O1 | 122.1° | 120.1° |
| CA | C | N1 | 113.1° | 120.0° |
| CB | CA | HA | 104.4° | 109.5° |
| CA | CB | CG | 113.2° | 109.5° |
| CA | CB | HB2 | 108.3° | 109.4° |
| CA | CB | HB3 | 107.4° | 109.4° |
| O1 | C | N1 | 124.7° | 120.0° |
| CG | CB | HB2 | 108.2° | 109.5° |
| CG | CB | HB3 | 107.4° | 109.5° |
| CB | CG | CD | 111.1° | 109.5° |
| CB | CG | HG2 | 108.9° | 109.5° |
| CB | CG | HG3 | 108.6° | 109.5° |
| HB2 | CB | HB3 | 112.5° | 109.5° |
| CD | CG | HG2 | 109.0° | 109.5° |
| CD | CG | HG3 | 108.6° | 109.5° |
| CG | CD | CE | 111.4° | 109.5° |
| CG | CD | HD2 | 108.9° | 109.5° |
| CG | CD | HD3 | 108.4° | 109.5° |
| HG2 | CG | HG3 | 110.8° | 109.4° |
| CE | CD | HD2 | 108.8° | 109.5° |
| CE | CD | HD3 | 108.4° | 109.5° |
| CD | CE | NZ | 109.9° | 109.5° |
| CD | CE | HE2 | 109.3° | 109.5° |
| CD | CE | HE3 | 109.2° | 109.5° |
| HD2 | CD | HD3 | 111.0° | 109.4° |
| NZ | CE | HE2 | 109.3° | 109.4° |
| NZ | CE | HE3 | 109.2° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 109.5° |
| CE | NZ | HZ2 | 109.5° | 109.5° |
| CE | NZ | HZ3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.8° | 109.5° |
| HZ1 | NZ | HZ2 | 109.5° | 109.5° |
| HZ1 | NZ | HZ3 | 109.5° | 109.5° |
| HZ2 | NZ | HZ3 | 109.5° | 109.4° |
| CA1 | N1 | H1 | 117.6° | 120.0° |
| N1 | CA1 | C3 | 95.0° | 109.5° |
| N1 | CA1 | CB1 | 109.0° | 109.4° |
| N1 | CA1 | HA1 | 121.2° | 109.5° |
| CA1 | N1 | C | 124.7° | 120.0° |
| H1 | N1 | C | 117.7° | 120.0° |
| C3 | CA1 | CB1 | 116.4° | 109.5° |
| C3 | CA1 | HA1 | 114.3° | 109.5° |
| CA1 | C3 | O2 | 124.5° | 120.0° |
| CA1 | C3 | N11 | 106.2° | 120.0° |
| CB1 | CA1 | HA1 | 101.7° | 109.5° |
| CA1 | CB1 | CG1 | 121.1° | 109.5° |
| CA1 | CB1 | HB21 | 105.7° | 109.5° |
| CA1 | CB1 | HB31 | 103.0° | 109.5° |
| O2 | C3 | N11 | 129.0° | 120.0° |
| CG1 | CB1 | HB21 | 105.8° | 109.5° |
| CG1 | CB1 | HB31 | 103.0° | 109.5° |
| CB1 | CG1 | CD1 | 112.2° | 109.5° |
| CB1 | CG1 | CD2 | 111.8° | 109.5° |
| CB1 | CG1 | HG | 102.6° | 109.5° |
| HB21 | CB1 | HB31 | 119.1° | 109.4° |
| CD1 | CG1 | CD2 | 95.0° | 109.5° |
| CD1 | CG1 | HG | 117.7° | 109.5° |
| CG1 | CD1 | HD11 | 109.5° | 109.5° |
| CG1 | CD1 | HD12 | 109.4° | 109.5° |
| CG1 | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG1 | HG | 118.0° | 109.5° |
| CG1 | CD2 | HD21 | 109.5° | 109.5° |
| CG1 | CD2 | HD22 | 109.5° | 109.5° |
| CG1 | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.4° | 109.5° |
| HD11 | CD1 | HD13 | 109.5° | 109.4° |
| HD12 | CD1 | HD13 | 109.6° | 109.4° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.5° | 109.4° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| N11 | C11 | C21 | 125.5° | 120.0° |
| N11 | C11 | C6 | 114.8° | 120.1° |
| C11 | N11 | HN11 | 118.6° | 120.0° |
| C11 | N11 | C3 | 122.7° | 120.1° |
| C21 | C11 | C6 | 119.3° | 119.9° |
| C11 | C21 | C31 | 119.1° | 119.9° |
| C11 | C21 | H2 | 120.4° | 120.1° |
| C11 | C6 | C5 | 121.5° | 119.9° |
| C11 | C6 | H6 | 119.2° | 120.0° |
| HN11 | N11 | C3 | 118.7° | 120.0° |
| C31 | C21 | H2 | 120.5° | 120.0° |
| C21 | C31 | C4 | 120.4° | 120.1° |
| C21 | C31 | H3 | 119.8° | 119.9° |
| C4 | C31 | H3 | 119.8° | 120.0° |
| C31 | C4 | C5 | 119.6° | 120.1° |
| C31 | C4 | C1' | 122.8° | 119.9° |
| C5 | C4 | C1' | 117.6° | 119.9° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C4 | C1' | C2' | 110.4° | 109.5° |
| C4 | C1' | C3' | 107.2° | 109.4° |
| C4 | C1' | H1' | 113.3° | 109.5° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 119.3° | 120.1° |
| C2' | C1' | C3' | 116.8° | 109.5° |
| C2' | C1' | H1' | 102.9° | 109.5° |
| 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' | 106.3° | 109.5° |
| C1' | C3' | H3'1 | 109.5° | 109.5° |
| C1' | C3' | H3'2 | 109.5° | 109.5° |
| C1' | C3' | H3'3 | 109.4° | 109.4° |
| H2'1 | C2' | H2'2 | 109.5° | 109.5° |
| H2'1 | C2' | H2'3 | 109.4° | 109.5° |
| H2'2 | C2' | H2'3 | 109.5° | 109.5° |
| H3'1 | C3' | H3'2 | 109.4° | 109.5° |
| H3'1 | C3' | H3'3 | 109.5° | 109.4° |
| H3'2 | C3' | H3'3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O | N | 174.8° | 179.6° |
| C1 | C2 | F1 | F2 | 130.4° | 120.0° |
| C1 | C2 | F1 | F3 | 119.6° | 120.0° |
| C1 | C2 | F2 | F3 | 120.7° | 120.0° |
| C2 | C1 | N | CA | 165.6° | 180.0° |
| C2 | C1 | N | H | 14.4° | 0.0° |
| O | C1 | C2 | F1 | 121.2° | 0.0° |
| O | C1 | C2 | F2 | 2.9° | 120.1° |
| O | C1 | C2 | F3 | 121.8° | 120.0° |
| O | C1 | N | CA | 19.2° | 0.3° |
| O | C1 | N | H | 160.8° | 179.7° |
| F1 | C2 | F2 | F3 | 109.1° | 120.0° |
| F1 | C2 | C1 | N | 53.7° | 179.7° |
| F2 | C2 | C1 | N | 177.9° | 60.3° |
| F3 | C2 | C1 | N | 63.3° | 59.7° |
| CA | N | H | C1 | 180.0° | 180.0° |
| N | CA | C | CB | 120.0° | 119.9° |
| N | CA | C | HA | 121.9° | 120.0° |
| N | CA | CB | HA | 123.0° | 120.0° |
| N | CA | C | O1 | 133.6° | 20.0° |
| N | CA | CB | CG | 123.4° | 65.0° |
| N | CA | CB | HB2 | 3.4° | 55.0° |
| N | CA | CB | HB3 | 118.2° | 174.9° |
| N | CA | C | N1 | 43.0° | 160.0° |
| H | N | CA | C | 62.9° | 120.0° |
| H | N | CA | CB | 53.2° | 120.0° |
| H | N | CA | HA | 171.7° | 0.0° |
| C | CA | CB | HA | 126.0° | 120.1° |
| CA | C | O1 | N1 | 176.3° | 180.0° |
| C | CA | CB | CG | 125.5° | 175.0° |
| C | CA | CB | HB2 | 114.5° | 65.0° |
| C | CA | CB | HB3 | 7.1° | 55.0° |
| CA | C | N1 | CA1 | 170.6° | 174.9° |
| CA | C | N1 | H1 | 9.4° | 5.0° |
| C | CA | N | C1 | 117.1° | 60.0° |
| CB | CA | C | O1 | 13.7° | 100.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 118.3° | 120.0° |
| CA | CB | HB2 | HB3 | 118.5° | 119.9° |
| CA | CB | CG | CD | 76.2° | 180.0° |
| CA | CB | CG | HG2 | 43.8° | 59.9° |
| CA | CB | CG | HG3 | 164.5° | 60.0° |
| CB | CA | N | C1 | 126.8° | 60.0° |
| CB | CA | C | N1 | 163.0° | 80.0° |
| HA | CA | C | O1 | 104.4° | 140.0° |
| HA | CA | CB | CG | 0.5° | 54.9° |
| HA | CA | CB | HB2 | 119.5° | 174.9° |
| HA | CA | CB | HB3 | 118.8° | 65.1° |
| HA | CA | N | C1 | 8.3° | 179.9° |
| HA | CA | C | N1 | 78.9° | 40.0° |
| O1 | C | N1 | CA1 | 12.8° | 5.1° |
| O1 | C | N1 | H1 | 167.2° | 175.0° |
| CG | CB | HB2 | HB3 | 118.5° | 120.1° |
| CB | CG | CD | HG2 | 120.0° | 120.1° |
| CB | CG | CD | HG3 | 119.3° | 120.0° |
| CB | CG | HG2 | HG3 | 119.3° | 120.0° |
| CB | CG | CD | CE | 167.9° | 180.0° |
| CB | CG | CD | HD2 | 47.9° | 60.0° |
| CB | CG | CD | HD3 | 72.9° | 60.0° |
| HB2 | CB | CG | CD | 163.8° | 60.0° |
| HB2 | CB | CG | HG2 | 76.2° | 179.9° |
| HB2 | CB | CG | HG3 | 44.5° | 60.0° |
| HB3 | CB | CG | CD | 42.1° | 60.0° |
| HB3 | CB | CG | HG2 | 162.1° | 60.0° |
| HB3 | CB | CG | HG3 | 77.2° | 180.0° |
| CD | CG | HG2 | HG3 | 119.4° | 120.0° |
| CG | CD | CE | HD2 | 120.0° | 120.1° |
| CG | CD | CE | HD3 | 119.2° | 120.0° |
| CG | CD | HD2 | HD3 | 119.2° | 120.0° |
| CG | CD | CE | NZ | 179.8° | 179.9° |
| CG | CD | CE | HE2 | 59.8° | 60.0° |
| CG | CD | CE | HE3 | 60.3° | 60.0° |
| HG2 | CG | CD | CE | 72.1° | 59.9° |
| HG2 | CG | CD | HD2 | 167.9° | 180.0° |
| HG2 | CG | CD | HD3 | 47.1° | 60.0° |
| HG3 | CG | CD | CE | 48.7° | 60.0° |
| HG3 | CG | CD | HD2 | 71.4° | 60.0° |
| HG3 | CG | CD | HD3 | 167.8° | 180.0° |
| CE | CD | HD2 | HD3 | 119.2° | 120.0° |
| CD | CE | NZ | HE2 | 120.0° | 120.0° |
| CD | CE | NZ | HE3 | 119.8° | 120.0° |
| CD | CE | HE2 | HE3 | 119.8° | 120.1° |
| CD | CE | NZ | HZ1 | 80.6° | 180.0° |
| CD | CE | NZ | HZ2 | 39.4° | 60.0° |
| CD | CE | NZ | HZ3 | 159.4° | 60.0° |
| HD2 | CD | CE | NZ | 60.1° | 60.0° |
| HD2 | CD | CE | HE2 | 179.8° | 179.9° |
| HD2 | CD | CE | HE3 | 59.7° | 60.0° |
| HD3 | CD | CE | NZ | 60.7° | 60.0° |
| HD3 | CD | CE | HE2 | 59.4° | 60.0° |
| HD3 | CD | CE | HE3 | 179.5° | 180.0° |
| NZ | CE | HE2 | HE3 | 119.8° | 120.0° |
| CE | NZ | HZ1 | HZ2 | 120.0° | 120.0° |
| CE | NZ | HZ1 | HZ3 | 120.0° | 120.1° |
| CE | NZ | HZ2 | HZ3 | 120.0° | 120.0° |
| HE2 | CE | NZ | HZ1 | 159.4° | 60.0° |
| HE2 | CE | NZ | HZ2 | 80.6° | 180.0° |
| HE2 | CE | NZ | HZ3 | 39.4° | 60.0° |
| HE3 | CE | NZ | HZ1 | 39.3° | 60.0° |
| HE3 | CE | NZ | HZ2 | 159.3° | 60.0° |
| HE3 | CE | NZ | HZ3 | 80.7° | 180.0° |
| HZ1 | NZ | HZ2 | HZ3 | 120.0° | 120.0° |
| CA1 | N1 | H1 | C | 180.0° | 179.9° |
| N1 | CA1 | C3 | CB1 | 114.2° | 119.9° |
| N1 | CA1 | C3 | HA1 | 127.6° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 129.1° | 120.0° |
| N1 | CA1 | C3 | O2 | 89.8° | 14.1° |
| N1 | CA1 | CB1 | CG1 | 78.0° | 173.8° |
| N1 | CA1 | CB1 | HB21 | 42.0° | 53.9° |
| N1 | CA1 | CB1 | HB31 | 167.8° | 66.1° |
| N1 | CA1 | C3 | N11 | 96.5° | 165.9° |
| H1 | N1 | CA1 | C3 | 101.5° | 28.5° |
| H1 | N1 | CA1 | CB1 | 18.7° | 91.5° |
| H1 | N1 | CA1 | HA1 | 136.0° | 148.5° |
| C3 | CA1 | CB1 | HA1 | 124.9° | 120.0° |
| CA1 | C3 | O2 | N11 | 172.2° | 180.0° |
| C3 | CA1 | CB1 | CG1 | 176.0° | 66.2° |
| C3 | CA1 | CB1 | HB21 | 64.0° | 173.8° |
| C3 | CA1 | CB1 | HB31 | 61.8° | 53.9° |
| CA1 | C3 | N11 | C11 | 151.0° | 175.1° |
| CA1 | C3 | N11 | HN11 | 29.1° | 5.0° |
| C3 | CA1 | N1 | C | 78.5° | 151.4° |
| CB1 | CA1 | C3 | O2 | 24.4° | 105.9° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB31 | 114.2° | 120.1° |
| CA1 | CB1 | HB21 | HB31 | 115.2° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 119.3° | 66.3° |
| CA1 | CB1 | CG1 | CD2 | 14.0° | 173.7° |
| CA1 | CB1 | CG1 | HG | 113.5° | 53.7° |
| CB1 | CA1 | N1 | C | 161.3° | 88.6° |
| CB1 | CA1 | C3 | N11 | 149.3° | 74.2° |
| HA1 | CA1 | C3 | O2 | 142.6° | 134.1° |
| HA1 | CA1 | CB1 | CG1 | 51.1° | 53.8° |
| HA1 | CA1 | CB1 | HB21 | 171.1° | 66.2° |
| HA1 | CA1 | CB1 | HB31 | 63.2° | 173.9° |
| HA1 | CA1 | N1 | C | 44.0° | 31.4° |
| HA1 | CA1 | C3 | N11 | 31.1° | 45.8° |
| O2 | C3 | N11 | C11 | 35.7° | 4.9° |
| O2 | C3 | N11 | HN11 | 144.2° | 175.1° |
| CG1 | CB1 | HB21 | HB31 | 115.2° | 120.0° |
| CB1 | CG1 | CD1 | CD2 | 116.0° | 120.0° |
| CB1 | CG1 | CD1 | HG | 118.6° | 120.0° |
| CB1 | CG1 | CD2 | HG | 118.6° | 120.0° |
| CB1 | CG1 | CD1 | HD11 | 100.2° | 175.8° |
| CB1 | CG1 | CD1 | HD12 | 139.8° | 55.8° |
| CB1 | CG1 | CD1 | HD13 | 19.8° | 64.2° |
| CB1 | CG1 | CD2 | HD21 | 125.1° | 60.0° |
| CB1 | CG1 | CD2 | HD22 | 114.8° | 180.0° |
| CB1 | CG1 | CD2 | HD23 | 5.1° | 60.0° |
| HB21 | CB1 | CG1 | CD1 | 120.7° | 53.7° |
| HB21 | CB1 | CG1 | CD2 | 134.0° | 66.3° |
| HB21 | CB1 | CG1 | HG | 6.5° | 173.7° |
| HB31 | CB1 | CG1 | CD1 | 5.1° | 173.6° |
| HB31 | CB1 | CG1 | CD2 | 100.3° | 53.6° |
| HB31 | CB1 | CG1 | HG | 132.3° | 66.4° |
| CD1 | CG1 | CD2 | HG | 125.1° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 120.0° | 120.1° |
| CG1 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG1 | CD2 | HD21 | 118.5° | 180.0° |
| CD1 | CG1 | CD2 | HD22 | 1.5° | 60.0° |
| CD1 | CG1 | CD2 | HD23 | 121.5° | 60.0° |
| CD2 | CG1 | CD1 | HD11 | 15.8° | 64.1° |
| CD2 | CG1 | CD1 | HD12 | 104.1° | 175.8° |
| CD2 | CG1 | CD1 | HD13 | 135.8° | 55.8° |
| CG1 | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG1 | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG1 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG1 | CD1 | HD11 | 141.2° | 55.8° |
| HG | CG1 | CD1 | HD12 | 21.2° | 64.2° |
| HG | CG1 | CD1 | HD13 | 98.9° | 175.8° |
| HG | CG1 | CD2 | HD21 | 6.6° | 60.0° |
| HG | CG1 | CD2 | HD22 | 126.6° | 60.0° |
| HG | CG1 | CD2 | HD23 | 113.4° | 180.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 119.9° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| N11 | C11 | C21 | C6 | 171.8° | 179.6° |
| C11 | N11 | HN11 | C3 | 180.0° | 180.0° |
| N11 | C11 | C21 | C31 | 170.3° | 179.9° |
| N11 | C11 | C21 | H2 | 9.7° | 0.1° |
| N11 | C11 | C6 | C5 | 171.4° | 179.8° |
| N11 | C11 | C6 | H6 | 8.6° | 0.1° |
| C21 | C11 | N11 | HN11 | 144.5° | 145.0° |
| C11 | C21 | C31 | H2 | 180.0° | 180.0° |
| C11 | C21 | C31 | C4 | 0.6° | 0.0° |
| C11 | C21 | C31 | H3 | 179.4° | 180.0° |
| C21 | C11 | C6 | C5 | 1.2° | 0.6° |
| C21 | C11 | C6 | H6 | 178.8° | 179.7° |
| C21 | C11 | N11 | C3 | 35.5° | 35.0° |
| C6 | C11 | N11 | HN11 | 43.5° | 35.4° |
| C6 | C11 | C21 | C31 | 1.4° | 0.3° |
| C6 | C11 | C21 | H2 | 178.6° | 179.7° |
| C11 | C6 | C5 | C4 | 0.1° | 0.6° |
| C11 | C6 | C5 | H6 | 180.0° | 179.7° |
| C11 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C11 | N11 | C3 | 136.6° | 144.7° |
| C21 | C31 | C4 | H3 | 180.0° | 180.0° |
| C21 | C31 | C4 | C5 | 0.4° | 0.0° |
| C21 | C31 | C4 | C1' | 177.2° | 180.0° |
| H2 | C21 | C31 | C4 | 179.4° | 180.0° |
| H2 | C21 | C31 | H3 | 0.6° | 0.0° |
| C31 | C4 | C5 | C1' | 177.8° | 180.0° |
| C31 | C4 | C5 | C6 | 0.7° | 0.3° |
| C31 | C4 | C5 | H5 | 179.3° | 179.9° |
| C31 | C4 | C1' | C2' | 41.7° | 120.0° |
| C31 | C4 | C1' | C3' | 86.5° | 120.0° |
| C31 | C4 | C1' | H1' | 156.5° | 0.0° |
| H3 | C31 | C4 | C5 | 179.6° | 180.0° |
| H3 | C31 | C4 | C1' | 2.8° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | C1' | C2' | 136.0° | 60.0° |
| C5 | C4 | C1' | C3' | 95.7° | 60.0° |
| C5 | C4 | C1' | H1' | 21.3° | 180.0° |
| C1' | C4 | C5 | C6 | 177.1° | 179.7° |
| C1' | C4 | C5 | H5 | 2.9° | 0.1° |
| C4 | C1' | C2' | C3' | 122.8° | 120.0° |
| C4 | C1' | C2' | H1' | 121.2° | 120.0° |
| C4 | C1' | C3' | H1' | 121.5° | 120.0° |
| C4 | C1' | C2' | H2'1 | 15.9° | 60.0° |
| C4 | C1' | C2' | H2'2 | 104.1° | 179.9° |
| C4 | C1' | C2' | H2'3 | 135.8° | 60.0° |
| C4 | C1' | C3' | H3'1 | 78.9° | 60.0° |
| C4 | C1' | C3' | H3'2 | 41.1° | 60.0° |
| C4 | C1' | C3' | H3'3 | 161.1° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C2' | C1' | C3' | H1' | 114.1° | 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° | 120.0° |
| C2' | C1' | C3' | H3'1 | 156.7° | 60.0° |
| C2' | C1' | C3' | H3'2 | 83.3° | 180.0° |
| C2' | C1' | C3' | H3'3 | 36.7° | 60.0° |
| C3' | C1' | C2' | H2'1 | 106.9° | 60.0° |
| C3' | C1' | C2' | H2'2 | 133.1° | 60.0° |
| C3' | C1' | C2' | H2'3 | 13.0° | 180.0° |
| C1' | C3' | H3'1 | H3'2 | 120.0° | 120.0° |
| C1' | C3' | H3'1 | H3'3 | 120.0° | 119.9° |
| C1' | C3' | H3'2 | H3'3 | 120.0° | 120.0° |
| H1' | C1' | C2' | H2'1 | 137.1° | 180.0° |
| H1' | C1' | C2' | H2'2 | 17.0° | 60.0° |
| H1' | C1' | C2' | H2'3 | 103.0° | 60.0° |
| H1' | C1' | C3' | H3'1 | 42.6° | 180.0° |
| H1' | C1' | C3' | H3'2 | 162.6° | 60.0° |
| H1' | C1' | C3' | H3'3 | 77.4° | 60.1° |
| H2'1 | C2' | H2'2 | H2'3 | 120.0° | 120.0° |
| H3'1 | C3' | H3'2 | H3'3 | 120.0° | 120.0° |
