PRD_000365
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 | 1.24Å | |
| C2 | F1 | sing | 1.40Å | 1.33Å | |
| C2 | F2 | sing | 1.40Å | 1.34Å | |
| C2 | F3 | sing | 1.40Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O1 | doub | 1.21Å | 1.22Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| 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 | 1.45Å | |
| 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 | 1.47Å | 1.47Å | |
| N1 | CD1 | sing | 1.47Å | 1.46Å | |
| CA1 | C3 | sing | 1.51Å | 1.54Å | |
| CA1 | CB1 | sing | 1.54Å | 1.53Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.25Å | |
| CB1 | CG1 | sing | 1.55Å | 1.52Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.55Å | 1.53Å | |
| CG1 | HG21 | sing | 1.09Å | 1.10Å | |
| CG1 | HG31 | sing | 1.09Å | 1.10Å | |
| CD1 | HD21 | sing | 1.09Å | 1.10Å | |
| CD1 | HD31 | sing | 1.09Å | 1.10Å | |
| C11 | N11 | sing | 1.40Å | 1.36Å | |
| C11 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C21 | C31 | sing | 1.38Å | 1.40Å | 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 | 1.40Å | Aromatic |
| C4 | C1' | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | 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 | 1.49Å | |
| 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 | 1.34Å | |
| C3 | N11 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O | 121.7° | 120.0° |
| C1 | C2 | F1 | 111.5° | 109.4° |
| C1 | C2 | F2 | 115.9° | 109.4° |
| C1 | C2 | F3 | 114.1° | 109.5° |
| C2 | C1 | N | 118.3° | 120.0° |
| O | C1 | N | 120.0° | 120.0° |
| F1 | C2 | F2 | 103.8° | 109.4° |
| F1 | C2 | F3 | 105.2° | 109.5° |
| F2 | C2 | F3 | 105.3° | 109.5° |
| CA | N | H | 117.1° | 120.1° |
| N | CA | C | 109.4° | 109.5° |
| N | CA | CB | 104.6° | 109.5° |
| N | CA | HA | 114.4° | 109.4° |
| CA | N | C1 | 125.8° | 120.0° |
| H | N | C1 | 117.1° | 120.0° |
| C | CA | CB | 114.2° | 109.5° |
| C | CA | HA | 104.9° | 109.5° |
| CA | C | O1 | 118.1° | 120.0° |
| CA | C | N1 | 124.5° | 120.0° |
| CB | CA | HA | 109.7° | 109.5° |
| CA | CB | CG | 118.5° | 109.5° |
| CA | CB | HB2 | 106.5° | 109.5° |
| CA | CB | HB3 | 104.5° | 109.5° |
| O1 | C | N1 | 117.3° | 120.0° |
| CG | CB | HB2 | 106.6° | 109.4° |
| CG | CB | HB3 | 104.4° | 109.4° |
| CB | CG | CD | 113.2° | 109.5° |
| CB | CG | HG2 | 108.3° | 109.5° |
| CB | CG | HG3 | 107.4° | 109.5° |
| HB2 | CB | HB3 | 116.9° | 109.5° |
| CD | CG | HG2 | 108.2° | 109.5° |
| CD | CG | HG3 | 107.4° | 109.4° |
| CG | CD | CE | 107.1° | 109.5° |
| CG | CD | HD2 | 110.3° | 109.5° |
| CG | CD | HD3 | 110.8° | 109.5° |
| HG2 | CG | HG3 | 112.4° | 109.4° |
| CE | CD | HD2 | 110.3° | 109.5° |
| CE | CD | HD3 | 110.8° | 109.5° |
| CD | CE | NZ | 112.0° | 109.5° |
| CD | CE | HE2 | 108.6° | 109.5° |
| CD | CE | HE3 | 108.0° | 109.5° |
| HD2 | CD | HD3 | 107.6° | 109.4° |
| NZ | CE | HE2 | 108.6° | 109.4° |
| NZ | CE | HE3 | 108.1° | 109.5° |
| CE | NZ | HZ1 | 109.5° | 109.5° |
| CE | NZ | HZ2 | 109.4° | 109.5° |
| CE | NZ | HZ3 | 109.5° | 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 | CD1 | 112.9° | 108.7° |
| N1 | CA1 | C3 | 112.3° | 109.9° |
| N1 | CA1 | CB1 | 103.0° | 107.2° |
| N1 | CA1 | HA1 | 114.2° | 109.9° |
| CA1 | N1 | C | 122.8° | 125.6° |
| N1 | CD1 | CG1 | 103.9° | 104.7° |
| N1 | CD1 | HD21 | 111.4° | 110.4° |
| N1 | CD1 | HD31 | 112.6° | 110.4° |
| CD1 | N1 | C | 124.2° | 125.6° |
| C3 | CA1 | CB1 | 115.5° | 109.9° |
| C3 | CA1 | HA1 | 101.4° | 109.9° |
| CA1 | C3 | O2 | 123.6° | 120.0° |
| CA1 | C3 | N11 | 107.5° | 120.0° |
| CB1 | CA1 | HA1 | 110.9° | 110.0° |
| CA1 | CB1 | CG1 | 104.8° | 103.0° |
| CA1 | CB1 | HB21 | 111.1° | 110.7° |
| CA1 | CB1 | HB31 | 112.1° | 110.7° |
| O2 | C3 | N11 | 128.8° | 120.0° |
| CG1 | CB1 | HB21 | 111.1° | 110.8° |
| CG1 | CB1 | HB31 | 112.1° | 110.7° |
| CB1 | CG1 | CD1 | 105.1° | 101.5° |
| CB1 | CG1 | HG21 | 110.9° | 111.0° |
| CB1 | CG1 | HG31 | 111.9° | 111.1° |
| HB21 | CB1 | HB31 | 105.9° | 110.8° |
| CD1 | CG1 | HG21 | 111.0° | 111.2° |
| CD1 | CG1 | HG31 | 111.9° | 110.9° |
| CG1 | CD1 | HD21 | 111.4° | 110.5° |
| CG1 | CD1 | HD31 | 112.6° | 110.4° |
| HG21 | CG1 | HG31 | 106.2° | 110.9° |
| HD21 | CD1 | HD31 | 105.2° | 110.4° |
| N11 | C11 | C21 | 122.4° | 120.1° |
| N11 | C11 | C6 | 118.7° | 120.0° |
| C11 | N11 | HN11 | 117.7° | 120.0° |
| C11 | N11 | C3 | 124.6° | 120.0° |
| C21 | C11 | C6 | 118.7° | 119.9° |
| C11 | C21 | C31 | 120.4° | 119.9° |
| C11 | C21 | H2 | 119.8° | 120.0° |
| C11 | C6 | C5 | 121.0° | 119.9° |
| C11 | C6 | H6 | 119.5° | 120.1° |
| HN11 | N11 | C3 | 117.7° | 120.0° |
| C31 | C21 | H2 | 119.8° | 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 | 119.2° | 120.1° |
| C31 | C4 | C1' | 121.3° | 120.0° |
| C5 | C4 | C1' | 119.5° | 119.9° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C4 | C1' | C2' | 112.7° | 109.5° |
| C4 | C1' | C3' | 106.2° | 109.5° |
| C4 | C1' | H1' | 109.9° | 109.4° |
| C6 | C5 | H5 | 119.8° | 119.9° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C2' | C1' | C3' | 110.4° | 109.5° |
| C2' | C1' | H1' | 105.6° | 109.4° |
| C1' | C2' | H2'1 | 109.5° | 109.4° |
| C1' | C2' | H2'2 | 109.4° | 109.5° |
| C1' | C2' | H2'3 | 109.5° | 109.5° |
| C3' | C1' | H1' | 112.2° | 109.5° |
| C1' | C3' | H3'1 | 109.5° | 109.5° |
| C1' | C3' | H3'2 | 109.5° | 109.5° |
| C1' | C3' | H3'3 | 109.5° | 109.5° |
| H2'1 | C2' | H2'2 | 109.5° | 109.4° |
| 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° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O | N | 178.3° | 179.7° |
| C1 | C2 | F1 | F2 | 125.4° | 119.9° |
| C1 | C2 | F1 | F3 | 124.2° | 120.0° |
| C1 | C2 | F2 | F3 | 127.1° | 120.0° |
| C2 | C1 | N | CA | 169.9° | 180.0° |
| C2 | C1 | N | H | 10.1° | 0.0° |
| O | C1 | C2 | F1 | 48.4° | 0.1° |
| O | C1 | C2 | F2 | 166.8° | 120.0° |
| O | C1 | C2 | F3 | 70.6° | 120.0° |
| O | C1 | N | CA | 11.8° | 0.3° |
| O | C1 | N | H | 168.2° | 179.7° |
| F1 | C2 | F2 | F3 | 110.3° | 120.1° |
| F1 | C2 | C1 | N | 133.3° | 179.7° |
| F2 | C2 | C1 | N | 14.9° | 60.3° |
| F3 | C2 | C1 | N | 107.7° | 59.7° |
| CA | N | H | C1 | 180.0° | 180.0° |
| N | CA | C | CB | 116.8° | 120.1° |
| N | CA | C | HA | 123.2° | 119.9° |
| N | CA | CB | HA | 123.1° | 120.0° |
| N | CA | C | O1 | 49.5° | 20.1° |
| N | CA | CB | CG | 153.4° | 65.0° |
| N | CA | CB | HB2 | 86.6° | 55.0° |
| N | CA | CB | HB3 | 37.7° | 175.0° |
| N | CA | C | N1 | 126.9° | 160.0° |
| H | N | CA | C | 130.3° | 120.0° |
| H | N | CA | CB | 7.6° | 120.0° |
| H | N | CA | HA | 112.4° | 0.0° |
| C | CA | CB | HA | 117.3° | 120.0° |
| CA | C | O1 | N1 | 176.7° | 180.0° |
| C | CA | CB | CG | 33.8° | 175.0° |
| C | CA | CB | HB2 | 153.8° | 65.1° |
| C | CA | CB | HB3 | 81.9° | 55.0° |
| CA | C | N1 | CA1 | 169.4° | 180.0° |
| CA | C | N1 | CD1 | 14.4° | 0.4° |
| C | CA | N | C1 | 49.7° | 60.1° |
| CB | CA | C | O1 | 67.2° | 100.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 115.7° | 120.1° |
| CA | CB | HB2 | HB3 | 116.3° | 120.1° |
| CA | CB | CG | CD | 122.8° | 180.0° |
| CA | CB | CG | HG2 | 117.2° | 60.0° |
| CA | CB | CG | HG3 | 4.4° | 60.0° |
| CB | CA | N | C1 | 172.4° | 60.0° |
| CB | CA | C | N1 | 116.3° | 79.9° |
| HA | CA | C | O1 | 172.7° | 140.0° |
| HA | CA | CB | CG | 83.5° | 55.0° |
| HA | CA | CB | HB2 | 36.5° | 174.9° |
| HA | CA | CB | HB3 | 160.8° | 65.0° |
| HA | CA | N | C1 | 67.6° | 180.0° |
| HA | CA | C | N1 | 3.7° | 40.1° |
| O1 | C | N1 | CA1 | 14.2° | 0.0° |
| O1 | C | N1 | CD1 | 162.0° | 179.7° |
| CG | CB | HB2 | HB3 | 116.3° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.1° |
| CB | CG | CD | HG3 | 118.4° | 120.0° |
| CB | CG | HG2 | HG3 | 118.5° | 120.1° |
| CB | CG | CD | CE | 162.0° | 180.0° |
| CB | CG | CD | HD2 | 42.0° | 59.9° |
| CB | CG | CD | HD3 | 77.1° | 60.0° |
| HB2 | CB | CG | CD | 2.8° | 60.0° |
| HB2 | CB | CG | HG2 | 122.8° | 180.0° |
| HB2 | CB | CG | HG3 | 115.6° | 60.0° |
| HB3 | CB | CG | CD | 121.5° | 60.0° |
| HB3 | CB | CG | HG2 | 1.5° | 60.0° |
| HB3 | CB | CG | HG3 | 120.1° | 180.0° |
| CD | CG | HG2 | HG3 | 118.4° | 119.9° |
| CG | CD | CE | HD2 | 120.0° | 120.1° |
| CG | CD | CE | HD3 | 120.9° | 120.0° |
| CG | CD | HD2 | HD3 | 121.0° | 120.0° |
| CG | CD | CE | NZ | 172.6° | 180.0° |
| CG | CD | CE | HE2 | 52.6° | 60.0° |
| CG | CD | CE | HE3 | 68.5° | 60.0° |
| HG2 | CG | CD | CE | 78.0° | 59.9° |
| HG2 | CG | CD | HD2 | 162.0° | 180.0° |
| HG2 | CG | CD | HD3 | 43.0° | 60.1° |
| HG3 | CG | CD | CE | 43.6° | 60.0° |
| HG3 | CG | CD | HD2 | 76.4° | 60.1° |
| HG3 | CG | CD | HD3 | 164.6° | 180.0° |
| CE | CD | HD2 | HD3 | 121.0° | 120.0° |
| 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 | 101.5° | 60.0° |
| CD | CE | NZ | HZ2 | 18.5° | 60.0° |
| CD | CE | NZ | HZ3 | 138.5° | 180.0° |
| HD2 | CD | CE | NZ | 67.4° | 60.0° |
| HD2 | CD | CE | HE2 | 172.6° | 179.9° |
| HD2 | CD | CE | HE3 | 51.6° | 60.0° |
| HD3 | CD | CE | NZ | 51.7° | 60.0° |
| HD3 | CD | CE | HE2 | 68.3° | 60.0° |
| HD3 | CD | CE | HE3 | 170.6° | 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 | 138.5° | 179.9° |
| HE2 | CE | NZ | HZ2 | 101.5° | 60.0° |
| HE2 | CE | NZ | HZ3 | 18.5° | 60.0° |
| HE3 | CE | NZ | HZ1 | 17.4° | 60.0° |
| HE3 | CE | NZ | HZ2 | 137.4° | 180.0° |
| HE3 | CE | NZ | HZ3 | 102.6° | 60.0° |
| HZ1 | NZ | HZ2 | HZ3 | 120.0° | 120.0° |
| CA1 | N1 | CD1 | C | 176.5° | 179.7° |
| N1 | CA1 | C3 | CB1 | 117.7° | 117.7° |
| N1 | CA1 | C3 | HA1 | 122.3° | 121.1° |
| N1 | CA1 | CB1 | HA1 | 122.6° | 119.5° |
| N1 | CA1 | C3 | O2 | 85.6° | 0.1° |
| N1 | CA1 | CB1 | CG1 | 28.9° | 22.2° |
| N1 | CA1 | CB1 | HB21 | 148.9° | 140.6° |
| N1 | CA1 | CB1 | HB31 | 92.9° | 96.2° |
| CA1 | N1 | CD1 | CG1 | 4.3° | 24.4° |
| CA1 | N1 | CD1 | HD21 | 115.7° | 94.5° |
| CA1 | N1 | CD1 | HD31 | 126.4° | 143.2° |
| N1 | CA1 | C3 | N11 | 91.6° | 180.0° |
| CD1 | N1 | CA1 | C3 | 109.5° | 120.7° |
| CD1 | N1 | CA1 | CB1 | 15.4° | 1.3° |
| CD1 | N1 | CA1 | HA1 | 135.8° | 118.2° |
| N1 | CD1 | CG1 | CB1 | 22.6° | 37.3° |
| N1 | CD1 | CG1 | HD21 | 120.0° | 118.8° |
| N1 | CD1 | CG1 | HD31 | 122.1° | 118.8° |
| N1 | CD1 | CG1 | HG21 | 97.4° | 80.8° |
| N1 | CD1 | CG1 | HG31 | 144.2° | 155.3° |
| N1 | CD1 | HD21 | HD31 | 122.3° | 122.3° |
| C3 | CA1 | CB1 | HA1 | 114.6° | 121.2° |
| CA1 | C3 | O2 | N11 | 176.6° | 179.9° |
| C3 | CA1 | CB1 | CG1 | 93.9° | 97.2° |
| C3 | CA1 | CB1 | HB21 | 26.1° | 21.2° |
| C3 | CA1 | CB1 | HB31 | 144.4° | 144.4° |
| CA1 | C3 | N11 | C11 | 175.1° | 174.8° |
| CA1 | C3 | N11 | HN11 | 4.9° | 5.3° |
| C3 | CA1 | N1 | C | 73.9° | 59.6° |
| CB1 | CA1 | C3 | O2 | 32.1° | 117.8° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 118.3° |
| CA1 | CB1 | CG1 | HB31 | 121.8° | 118.4° |
| CA1 | CB1 | HB21 | HB31 | 121.9° | 123.2° |
| CA1 | CB1 | CG1 | CD1 | 32.3° | 35.6° |
| CA1 | CB1 | CG1 | HG21 | 87.7° | 82.6° |
| CA1 | CB1 | CG1 | HG31 | 154.0° | 153.6° |
| CB1 | CA1 | N1 | C | 161.2° | 179.0° |
| CB1 | CA1 | C3 | N11 | 150.7° | 62.3° |
| HA1 | CA1 | C3 | O2 | 152.1° | 121.0° |
| HA1 | CA1 | CB1 | CG1 | 151.5° | 141.6° |
| HA1 | CA1 | CB1 | HB21 | 88.5° | 100.0° |
| HA1 | CA1 | CB1 | HB31 | 29.8° | 23.2° |
| HA1 | CA1 | N1 | C | 40.8° | 61.5° |
| HA1 | CA1 | C3 | N11 | 30.7° | 58.9° |
| O2 | C3 | N11 | C11 | 1.9° | 5.3° |
| O2 | C3 | N11 | HN11 | 178.0° | 174.7° |
| CG1 | CB1 | HB21 | HB31 | 121.9° | 123.3° |
| CB1 | CG1 | CD1 | HG21 | 120.0° | 118.1° |
| CB1 | CG1 | CD1 | HG31 | 121.7° | 118.1° |
| CB1 | CG1 | HG21 | HG31 | 121.8° | 123.9° |
| CB1 | CG1 | CD1 | HD21 | 97.4° | 81.6° |
| CB1 | CG1 | CD1 | HD31 | 144.6° | 156.1° |
| HB21 | CB1 | CG1 | CD1 | 152.3° | 154.0° |
| HB21 | CB1 | CG1 | HG21 | 32.3° | 35.8° |
| HB21 | CB1 | CG1 | HG31 | 86.0° | 88.1° |
| HB31 | CB1 | CG1 | CD1 | 89.5° | 82.7° |
| HB31 | CB1 | CG1 | HG21 | 150.5° | 159.1° |
| HB31 | CB1 | CG1 | HG31 | 32.2° | 35.2° |
| CD1 | CG1 | HG21 | HG31 | 121.8° | 123.9° |
| CG1 | CD1 | HD21 | HD31 | 122.3° | 122.3° |
| CG1 | CD1 | N1 | C | 179.1° | 155.9° |
| HG21 | CG1 | CD1 | HD21 | 142.6° | 160.4° |
| HG21 | CG1 | CD1 | HD31 | 24.6° | 38.0° |
| HG31 | CG1 | CD1 | HD21 | 24.2° | 36.5° |
| HG31 | CG1 | CD1 | HD31 | 93.7° | 85.9° |
| HD21 | CD1 | N1 | C | 60.9° | 85.2° |
| HD31 | CD1 | N1 | C | 57.1° | 37.1° |
| N11 | C11 | C21 | C6 | 174.6° | 179.7° |
| C11 | N11 | HN11 | C3 | 180.0° | 180.0° |
| N11 | C11 | C21 | C31 | 174.0° | 180.0° |
| N11 | C11 | C21 | H2 | 6.0° | 0.1° |
| N11 | C11 | C6 | C5 | 173.8° | 179.7° |
| N11 | C11 | C6 | H6 | 6.2° | 0.0° |
| C21 | C11 | N11 | HN11 | 152.9° | 33.1° |
| C11 | C21 | C31 | H2 | 180.0° | 179.9° |
| C11 | C21 | C31 | C4 | 0.1° | 0.0° |
| C11 | C21 | C31 | H3 | 179.9° | 180.0° |
| C21 | C11 | C6 | C5 | 1.0° | 0.5° |
| C21 | C11 | C6 | H6 | 179.0° | 179.7° |
| C21 | C11 | N11 | C3 | 27.2° | 146.8° |
| C6 | C11 | N11 | HN11 | 21.7° | 146.6° |
| C6 | C11 | C21 | C31 | 0.6° | 0.3° |
| C6 | C11 | C21 | H2 | 179.4° | 179.8° |
| C11 | C6 | C5 | C4 | 0.6° | 0.6° |
| C11 | C6 | C5 | H6 | 180.0° | 179.7° |
| C11 | C6 | C5 | H5 | 179.4° | 179.7° |
| C6 | C11 | N11 | C3 | 158.3° | 33.4° |
| C21 | C31 | C4 | H3 | 180.0° | 180.0° |
| C21 | C31 | C4 | C5 | 0.4° | 0.0° |
| C21 | C31 | C4 | C1' | 178.0° | 180.0° |
| H2 | C21 | C31 | C4 | 179.9° | 179.9° |
| H2 | C21 | C31 | H3 | 0.1° | 0.0° |
| C31 | C4 | C5 | C1' | 178.4° | 180.0° |
| C31 | C4 | C5 | C6 | 0.0° | 0.3° |
| C31 | C4 | C5 | H5 | 179.9° | 180.0° |
| C31 | C4 | C1' | C2' | 8.9° | 120.0° |
| C31 | C4 | C1' | C3' | 112.1° | 120.0° |
| C31 | C4 | C1' | H1' | 126.3° | 0.0° |
| H3 | C31 | C4 | C5 | 179.6° | 179.9° |
| H3 | C31 | C4 | C1' | 2.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.4° | 179.7° |
| C5 | C4 | C1' | C2' | 169.5° | 60.1° |
| C5 | C4 | C1' | C3' | 69.5° | 60.0° |
| C5 | C4 | C1' | H1' | 52.0° | 180.0° |
| C1' | C4 | C5 | C6 | 178.3° | 179.7° |
| C1' | C4 | C5 | H5 | 1.7° | 0.0° |
| C4 | C1' | C2' | C3' | 118.5° | 120.1° |
| C4 | C1' | C2' | H1' | 120.0° | 119.9° |
| C4 | C1' | C3' | H1' | 120.0° | 120.0° |
| C4 | C1' | C2' | H2'1 | 29.0° | 60.1° |
| C4 | C1' | C2' | H2'2 | 91.0° | 180.0° |
| C4 | C1' | C2' | H2'3 | 149.0° | 59.9° |
| C4 | C1' | C3' | H3'1 | 143.8° | 59.9° |
| C4 | C1' | C3' | H3'2 | 23.8° | 180.0° |
| C4 | C1' | C3' | H3'3 | 96.2° | 60.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.0° |
| C2' | C1' | C3' | H1' | 117.5° | 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 | 93.7° | 180.0° |
| C2' | C1' | C3' | H3'2 | 146.3° | 59.9° |
| C2' | C1' | C3' | H3'3 | 26.3° | 60.0° |
| C3' | C1' | C2' | H2'1 | 89.5° | 60.0° |
| C3' | C1' | C2' | H2'2 | 150.5° | 59.9° |
| C3' | C1' | C2' | H2'3 | 30.5° | 180.0° |
| C1' | C3' | H3'1 | H3'2 | 120.0° | 120.1° |
| C1' | C3' | H3'1 | H3'3 | 120.0° | 120.0° |
| C1' | C3' | H3'2 | H3'3 | 120.0° | 120.0° |
| H1' | C1' | C2' | H2'1 | 149.0° | 180.0° |
| H1' | C1' | C2' | H2'2 | 29.0° | 60.0° |
| H1' | C1' | C2' | H2'3 | 91.0° | 60.0° |
| H1' | C1' | C3' | H3'1 | 23.8° | 60.0° |
| H1' | C1' | C3' | H3'2 | 96.2° | 60.0° |
| H1' | C1' | C3' | H3'3 | 143.8° | 180.0° |
| H2'1 | C2' | H2'2 | H2'3 | 120.0° | 120.0° |
| H3'1 | C3' | H3'2 | H3'3 | 120.0° | 119.9° |
