PRD_000358
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C1 | O | doub | 1.21Å | 1.24Å | |
| C2 | F1 | sing | 1.40Å | 1.32Å | |
| C2 | F2 | sing | 1.40Å | 1.31Å | |
| C2 | F3 | sing | 1.40Å | 1.31Å | |
| N | CA | sing | 1.46Å | 1.44Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O1 | doub | 1.21Å | 1.22Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.51Å | |
| CG | 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 | |
| N1 | N2 | sing | 1.37Å | 1.56Å | |
| N1 | C3 | sing | 1.47Å | 1.51Å | |
| N1 | C1M | sing | 1.47Å | 1.51Å | |
| N1 | CA2 | sing | 1.47Å | 1.49Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| C3 | C11 | sing | 1.51Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2A | sing | 1.09Å | 1.10Å | |
| C11 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C31 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1M | H1M1 | sing | 1.09Å | 1.10Å | |
| C1M | H1M2 | sing | 1.09Å | 1.10Å | |
| C1M | H1M3 | sing | 1.09Å | 1.10Å | |
| CA2 | CA1 | sing | 1.51Å | 1.52Å | |
| CA2 | HA21 | sing | 1.09Å | 1.10Å | |
| CA2 | HA22 | sing | 1.09Å | 1.10Å | |
| CA1 | O2 | doub | 1.21Å | 1.24Å | |
| C12 | N11 | sing | 1.40Å | 1.34Å | |
| C12 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C61 | sing | 1.39Å | 1.39Å | Aromatic |
| N11 | HN12 | sing | 0.97Å | 1.00Å | |
| C22 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | C41 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | C51 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | C1' | sing | 1.51Å | 1.55Å | |
| C51 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | C3' | sing | 1.53Å | 1.50Å | |
| 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 | N2 | sing | 1.35Å | 1.35Å | |
| CA1 | N11 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O | 121.1° | 120.0° |
| C1 | C2 | F1 | 116.1° | 109.5° |
| C1 | C2 | F2 | 114.5° | 109.5° |
| C1 | C2 | F3 | 111.5° | 109.5° |
| C2 | C1 | N | 118.7° | 120.0° |
| O | C1 | N | 120.2° | 120.0° |
| F1 | C2 | F2 | 103.3° | 109.4° |
| F1 | C2 | F3 | 105.6° | 109.5° |
| F2 | C2 | F3 | 104.7° | 109.5° |
| CA | N | H | 118.1° | 120.0° |
| N | CA | C | 114.2° | 109.5° |
| N | CA | CB | 106.6° | 109.5° |
| N | CA | HA | 109.2° | 109.5° |
| CA | N | C1 | 123.8° | 120.0° |
| H | N | C1 | 118.1° | 120.0° |
| C | CA | CB | 112.0° | 109.5° |
| C | CA | HA | 103.4° | 109.5° |
| CA | C | O1 | 124.1° | 120.0° |
| CA | C | N2 | 105.5° | 120.0° |
| CB | CA | HA | 111.5° | 109.4° |
| CA | CB | CG | 118.0° | 109.5° |
| CA | CB | HB2 | 106.7° | 109.5° |
| CA | CB | HB3 | 104.8° | 109.5° |
| O1 | C | N2 | 130.3° | 120.0° |
| CG | CB | HB2 | 106.7° | 109.5° |
| CG | CB | HB3 | 104.7° | 109.5° |
| CB | CG | CD1 | 112.3° | 109.5° |
| CB | CG | CD2 | 106.4° | 109.5° |
| CB | CG | HG | 110.4° | 109.5° |
| HB2 | CB | HB3 | 116.4° | 109.5° |
| CD1 | CG | CD2 | 111.4° | 109.5° |
| CD1 | CG | HG | 105.2° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.4° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 111.3° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.4° | 109.5° |
| CG | CD2 | HD23 | 109.4° | 109.4° |
| HD11 | CD1 | HD12 | 109.4° | 109.5° |
| HD11 | CD1 | HD13 | 109.5° | 109.4° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| HD21 | CD2 | HD22 | 109.4° | 109.5° |
| HD21 | CD2 | HD23 | 109.4° | 109.4° |
| HD22 | CD2 | HD23 | 109.5° | 109.5° |
| N2 | N1 | C3 | 105.2° | 109.5° |
| N2 | N1 | C1M | 95.3° | 109.5° |
| N2 | N1 | CA2 | 117.3° | 109.4° |
| N1 | N2 | HN22 | 118.2° | 120.0° |
| N1 | N2 | C | 123.7° | 120.0° |
| C3 | N1 | C1M | 113.5° | 109.5° |
| C3 | N1 | CA2 | 113.3° | 109.5° |
| N1 | C3 | C11 | 118.4° | 109.5° |
| N1 | C3 | H1 | 106.6° | 109.5° |
| N1 | C3 | H2A | 104.5° | 109.5° |
| C1M | N1 | CA2 | 111.0° | 109.5° |
| N1 | C1M | H1M1 | 109.5° | 109.5° |
| N1 | C1M | H1M2 | 109.5° | 109.5° |
| N1 | C1M | H1M3 | 109.5° | 109.5° |
| N1 | CA2 | CA1 | 118.4° | 109.5° |
| N1 | CA2 | HA21 | 106.6° | 109.5° |
| N1 | CA2 | HA22 | 104.5° | 109.5° |
| HN22 | N2 | C | 118.1° | 120.0° |
| C11 | C3 | H1 | 106.6° | 109.5° |
| C11 | C3 | H2A | 104.5° | 109.5° |
| C3 | C11 | C21 | 119.1° | 119.9° |
| C3 | C11 | C6 | 121.6° | 120.0° |
| H1 | C3 | H2A | 116.8° | 109.4° |
| C21 | C11 | C6 | 119.2° | 120.0° |
| C11 | C21 | C31 | 118.9° | 120.0° |
| C11 | C21 | H2 | 120.5° | 120.0° |
| C11 | C6 | C5 | 121.2° | 120.0° |
| C11 | C6 | H6 | 119.4° | 120.0° |
| C31 | C21 | H2 | 120.5° | 120.0° |
| C21 | C31 | C4 | 122.2° | 120.0° |
| C21 | C31 | H3 | 118.9° | 120.0° |
| C4 | C31 | H3 | 118.9° | 120.0° |
| C31 | C4 | C5 | 119.6° | 120.0° |
| C31 | C4 | H4 | 120.2° | 119.9° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | 118.9° | 120.0° |
| C4 | C5 | H5 | 120.5° | 120.0° |
| C6 | C5 | H5 | 120.6° | 120.1° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| H1M1 | C1M | H1M2 | 109.5° | 109.4° |
| H1M1 | C1M | H1M3 | 109.4° | 109.4° |
| H1M2 | C1M | H1M3 | 109.5° | 109.5° |
| CA1 | CA2 | HA21 | 106.6° | 109.5° |
| CA1 | CA2 | HA22 | 104.5° | 109.5° |
| CA2 | CA1 | O2 | 125.2° | 119.9° |
| CA2 | CA1 | N11 | 102.5° | 120.0° |
| HA21 | CA2 | HA22 | 116.8° | 109.4° |
| O2 | CA1 | N11 | 132.4° | 120.1° |
| N11 | C12 | C22 | 123.5° | 120.0° |
| N11 | C12 | C61 | 116.9° | 120.1° |
| C12 | N11 | HN12 | 118.8° | 120.0° |
| C12 | N11 | CA1 | 122.6° | 119.9° |
| C22 | C12 | C61 | 119.6° | 119.9° |
| C12 | C22 | C32 | 119.7° | 119.9° |
| C12 | C22 | H21 | 120.2° | 120.0° |
| C12 | C61 | C51 | 120.8° | 119.9° |
| C12 | C61 | H61 | 119.6° | 120.1° |
| HN12 | N11 | CA1 | 118.7° | 120.0° |
| C32 | C22 | H21 | 120.1° | 120.0° |
| C22 | C32 | C41 | 120.6° | 120.1° |
| C22 | C32 | H31 | 119.7° | 120.0° |
| C41 | C32 | H31 | 119.7° | 120.0° |
| C32 | C41 | C51 | 118.5° | 120.1° |
| C32 | C41 | C1' | 122.3° | 119.9° |
| C51 | C41 | C1' | 119.2° | 120.0° |
| C41 | C51 | C61 | 120.7° | 120.1° |
| C41 | C51 | H51 | 119.6° | 119.9° |
| C41 | C1' | C2' | 114.3° | 109.4° |
| C41 | C1' | C3' | 105.5° | 109.5° |
| C41 | C1' | H1' | 108.5° | 109.5° |
| C61 | C51 | H51 | 119.6° | 120.0° |
| C51 | C61 | H61 | 119.6° | 120.0° |
| C2' | C1' | C3' | 107.9° | 109.5° |
| C2' | C1' | H1' | 106.1° | 109.5° |
| C1' | C2' | H2'1 | 109.5° | 109.4° |
| C1' | C2' | H2'2 | 109.4° | 109.4° |
| C1' | C2' | H2'3 | 109.5° | 109.4° |
| C3' | C1' | H1' | 114.8° | 109.5° |
| C1' | C3' | H3'1 | 109.5° | 109.5° |
| C1' | C3' | H3'2 | 109.5° | 109.5° |
| C1' | C3' | H3'3 | 109.4° | 109.5° |
| H2'1 | C2' | H2'2 | 109.5° | 109.5° |
| H2'1 | C2' | H2'3 | 109.5° | 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 | 179.6° | 179.8° |
| C1 | C2 | F1 | F2 | 126.2° | 120.0° |
| C1 | C2 | F1 | F3 | 124.1° | 120.0° |
| C1 | C2 | F2 | F3 | 122.5° | 120.0° |
| C2 | C1 | N | CA | 152.5° | 180.0° |
| C2 | C1 | N | H | 27.5° | 0.0° |
| O | C1 | C2 | F1 | 175.8° | 0.0° |
| O | C1 | C2 | F2 | 55.5° | 120.0° |
| O | C1 | C2 | F3 | 63.2° | 120.0° |
| O | C1 | N | CA | 27.1° | 0.2° |
| O | C1 | N | H | 153.0° | 179.7° |
| F1 | C2 | F2 | F3 | 110.3° | 120.0° |
| F1 | C2 | C1 | N | 4.6° | 179.8° |
| F2 | C2 | C1 | N | 124.9° | 60.3° |
| F3 | C2 | C1 | N | 116.4° | 59.7° |
| CA | N | H | C1 | 180.0° | 180.0° |
| N | CA | C | CB | 121.3° | 120.0° |
| N | CA | C | HA | 118.5° | 120.0° |
| N | CA | CB | HA | 119.0° | 120.0° |
| N | CA | C | O1 | 48.5° | 0.0° |
| N | CA | CB | CG | 146.6° | 65.0° |
| N | CA | CB | HB2 | 26.6° | 55.0° |
| N | CA | CB | HB3 | 97.4° | 175.0° |
| N | CA | C | N2 | 127.8° | 180.0° |
| H | N | CA | C | 139.3° | 25.0° |
| H | N | CA | CB | 15.0° | 95.0° |
| H | N | CA | HA | 105.6° | 145.1° |
| C | CA | CB | HA | 115.3° | 120.0° |
| CA | C | O1 | N2 | 175.2° | 180.0° |
| C | CA | CB | CG | 87.7° | 175.0° |
| C | CA | CB | HB2 | 152.3° | 65.0° |
| C | CA | CB | HB3 | 28.2° | 55.0° |
| CA | C | N2 | N1 | 170.9° | 180.0° |
| CA | C | N2 | HN22 | 9.1° | 0.0° |
| C | CA | N | C1 | 40.7° | 155.0° |
| CB | CA | C | O1 | 72.9° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 116.0° | 120.0° |
| CA | CB | HB2 | HB3 | 116.5° | 120.0° |
| CA | CB | CG | CD1 | 47.8° | 175.0° |
| CA | CB | CG | CD2 | 169.9° | 65.0° |
| CA | CB | CG | HG | 69.3° | 55.0° |
| CB | CA | N | C1 | 165.0° | 85.0° |
| CB | CA | C | N2 | 110.9° | 60.0° |
| HA | CA | C | O1 | 167.0° | 120.1° |
| HA | CA | CB | CG | 27.6° | 55.0° |
| HA | CA | CB | HB2 | 92.4° | 175.0° |
| HA | CA | CB | HB3 | 143.6° | 65.0° |
| HA | CA | N | C1 | 74.4° | 35.0° |
| HA | CA | C | N2 | 9.3° | 59.9° |
| O1 | C | N2 | N1 | 5.0° | 0.0° |
| O1 | C | N2 | HN22 | 175.0° | 180.0° |
| CG | CB | HB2 | HB3 | 116.4° | 120.0° |
| CB | CG | CD1 | CD2 | 119.2° | 120.0° |
| CB | CG | CD1 | HG | 120.1° | 120.0° |
| CB | CG | CD2 | HG | 120.2° | 120.0° |
| CB | CG | CD1 | HD11 | 95.8° | 60.0° |
| CB | CG | CD1 | HD12 | 24.1° | 180.0° |
| CB | CG | CD1 | HD13 | 144.1° | 60.0° |
| CB | CG | CD2 | HD21 | 178.7° | 60.1° |
| CB | CG | CD2 | HD22 | 61.3° | 60.0° |
| CB | CG | CD2 | HD23 | 58.7° | 180.0° |
| HB2 | CB | CG | CD1 | 72.2° | 55.0° |
| HB2 | CB | CG | CD2 | 49.9° | 175.0° |
| HB2 | CB | CG | HG | 170.7° | 65.1° |
| HB3 | CB | CG | CD1 | 163.8° | 65.0° |
| HB3 | CB | CG | CD2 | 74.1° | 55.0° |
| HB3 | CB | CG | HG | 46.7° | 175.0° |
| CD1 | CG | CD2 | HG | 117.1° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 58.6° | 59.9° |
| CD1 | CG | CD2 | HD22 | 61.4° | 180.0° |
| CD1 | CG | CD2 | HD23 | 178.6° | 60.0° |
| CD2 | CG | CD1 | HD11 | 145.0° | 60.0° |
| CD2 | CG | CD1 | HD12 | 95.0° | 60.0° |
| CD2 | CG | CD1 | HD13 | 25.0° | 180.0° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.1° |
| CG | CD2 | HD21 | HD23 | 120.0° | 119.9° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD1 | HD11 | 24.3° | 180.0° |
| HG | CG | CD1 | HD12 | 144.2° | 60.0° |
| HG | CG | CD1 | HD13 | 95.8° | 60.1° |
| HG | CG | CD2 | HD21 | 58.5° | 179.9° |
| HG | CG | CD2 | HD22 | 178.5° | 60.0° |
| HG | CG | CD2 | HD23 | 61.5° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| N2 | N1 | C3 | C1M | 102.8° | 120.0° |
| N2 | N1 | C3 | CA2 | 129.4° | 120.0° |
| N2 | N1 | C1M | CA2 | 121.9° | 120.0° |
| N1 | N2 | HN22 | C | 180.0° | 179.9° |
| N2 | N1 | C3 | C11 | 177.6° | 56.8° |
| N2 | N1 | C3 | H1 | 62.4° | 63.3° |
| N2 | N1 | C3 | H2A | 61.8° | 176.8° |
| N2 | N1 | C1M | H1M1 | 113.1° | 54.0° |
| N2 | N1 | C1M | H1M2 | 7.0° | 174.0° |
| N2 | N1 | C1M | H1M3 | 127.0° | 66.0° |
| N2 | N1 | CA2 | CA1 | 47.7° | 54.8° |
| N2 | N1 | CA2 | HA21 | 72.3° | 65.3° |
| N2 | N1 | CA2 | HA22 | 163.5° | 174.7° |
| C3 | N1 | C1M | CA2 | 129.0° | 120.0° |
| C3 | N1 | N2 | HN22 | 103.9° | 120.0° |
| N1 | C3 | C11 | H1 | 120.0° | 120.0° |
| N1 | C3 | C11 | H2A | 115.7° | 120.0° |
| N1 | C3 | H1 | H2A | 116.3° | 120.0° |
| N1 | C3 | C11 | C21 | 125.0° | 90.0° |
| N1 | C3 | C11 | C6 | 58.1° | 90.2° |
| C3 | N1 | C1M | H1M1 | 4.0° | 174.0° |
| C3 | N1 | C1M | H1M2 | 116.0° | 66.0° |
| C3 | N1 | C1M | H1M3 | 124.0° | 54.1° |
| C3 | N1 | CA2 | CA1 | 170.7° | 174.8° |
| C3 | N1 | CA2 | HA21 | 50.7° | 54.7° |
| C3 | N1 | CA2 | HA22 | 73.6° | 65.3° |
| C3 | N1 | N2 | C | 76.1° | 60.0° |
| C1M | N1 | N2 | HN22 | 12.2° | 120.0° |
| C1M | N1 | C3 | C11 | 74.7° | 176.8° |
| C1M | N1 | C3 | H1 | 165.3° | 56.8° |
| C1M | N1 | C3 | H2A | 41.0° | 63.2° |
| N1 | C1M | H1M1 | H1M2 | 120.0° | 120.0° |
| N1 | C1M | H1M1 | H1M3 | 120.0° | 120.0° |
| N1 | C1M | H1M2 | H1M3 | 120.0° | 120.0° |
| C1M | N1 | CA2 | CA1 | 60.3° | 65.2° |
| C1M | N1 | CA2 | HA21 | 179.7° | 174.7° |
| C1M | N1 | CA2 | HA22 | 55.5° | 54.8° |
| C1M | N1 | N2 | C | 167.8° | 60.1° |
| CA2 | N1 | N2 | HN22 | 129.1° | 0.0° |
| CA2 | N1 | C3 | C11 | 53.0° | 63.2° |
| CA2 | N1 | C3 | H1 | 67.0° | 176.8° |
| CA2 | N1 | C3 | H2A | 168.8° | 56.8° |
| CA2 | N1 | C1M | H1M1 | 125.0° | 65.9° |
| CA2 | N1 | C1M | H1M2 | 115.0° | 54.0° |
| CA2 | N1 | C1M | H1M3 | 5.0° | 174.1° |
| N1 | CA2 | CA1 | HA21 | 120.0° | 120.1° |
| N1 | CA2 | CA1 | HA22 | 115.8° | 120.0° |
| N1 | CA2 | HA21 | HA22 | 116.3° | 120.0° |
| N1 | CA2 | CA1 | O2 | 65.1° | 7.0° |
| CA2 | N1 | N2 | C | 50.9° | 180.0° |
| N1 | CA2 | CA1 | N11 | 113.3° | 173.1° |
| C11 | C3 | H1 | H2A | 116.3° | 120.0° |
| C3 | C11 | C21 | C6 | 177.0° | 179.7° |
| C3 | C11 | C21 | C31 | 176.6° | 180.0° |
| C3 | C11 | C21 | H2 | 3.4° | 0.0° |
| C3 | C11 | C6 | C5 | 176.7° | 179.8° |
| C3 | C11 | C6 | H6 | 3.3° | 0.0° |
| H1 | C3 | C11 | C21 | 5.0° | 30.0° |
| H1 | C3 | C11 | C6 | 178.1° | 149.7° |
| H2A | C3 | C11 | C21 | 119.2° | 150.0° |
| H2A | C3 | C11 | C6 | 57.6° | 29.7° |
| C11 | C21 | C31 | H2 | 180.0° | 179.9° |
| C11 | C21 | C31 | C4 | 0.2° | 0.0° |
| C11 | C21 | C31 | H3 | 179.8° | 179.9° |
| C21 | C11 | C6 | C5 | 0.2° | 0.4° |
| C21 | C11 | C6 | H6 | 179.8° | 179.7° |
| C6 | C11 | C21 | C31 | 0.4° | 0.3° |
| C6 | C11 | C21 | H2 | 179.7° | 179.8° |
| C11 | C6 | C5 | C4 | 0.1° | 0.4° |
| C11 | C6 | C5 | H6 | 180.0° | 179.9° |
| C11 | C6 | C5 | H5 | 179.9° | 179.7° |
| C21 | C31 | C4 | H3 | 180.0° | 179.9° |
| C21 | C31 | C4 | C5 | 0.1° | 0.1° |
| C21 | C31 | C4 | H4 | 179.9° | 180.0° |
| H2 | C21 | C31 | C4 | 179.8° | 180.0° |
| H2 | C21 | C31 | H3 | 0.2° | 0.0° |
| C31 | C4 | C5 | H4 | 180.0° | 179.9° |
| C31 | C4 | C5 | C6 | 0.2° | 0.1° |
| C31 | C4 | C5 | H5 | 179.8° | 180.0° |
| H3 | C31 | C4 | C5 | 179.9° | 180.0° |
| H3 | C31 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 179.8° |
| H4 | C4 | C5 | C6 | 179.8° | 179.8° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H1M1 | C1M | H1M2 | H1M3 | 120.0° | 119.9° |
| CA1 | CA2 | HA21 | HA22 | 116.3° | 120.0° |
| CA2 | CA1 | O2 | N11 | 177.8° | 179.9° |
| CA2 | CA1 | N11 | C12 | 169.4° | 175.3° |
| CA2 | CA1 | N11 | HN12 | 10.7° | 4.8° |
| HA21 | CA2 | CA1 | O2 | 174.9° | 113.1° |
| HA21 | CA2 | CA1 | N11 | 6.7° | 66.8° |
| HA22 | CA2 | CA1 | O2 | 50.7° | 127.0° |
| HA22 | CA2 | CA1 | N11 | 131.0° | 53.1° |
| O2 | CA1 | N11 | C12 | 12.5° | 4.6° |
| O2 | CA1 | N11 | HN12 | 167.5° | 175.3° |
| N11 | C12 | C22 | C61 | 179.1° | 179.7° |
| C12 | N11 | HN12 | CA1 | 180.0° | 180.0° |
| N11 | C12 | C22 | C32 | 178.8° | 180.0° |
| N11 | C12 | C22 | H21 | 1.2° | 0.1° |
| N11 | C12 | C61 | C51 | 178.4° | 179.7° |
| N11 | C12 | C61 | H61 | 1.6° | 0.0° |
| C22 | C12 | N11 | HN12 | 137.8° | 35.8° |
| C12 | C22 | C32 | H21 | 180.0° | 179.9° |
| C12 | C22 | C32 | C41 | 0.0° | 0.0° |
| C12 | C22 | C32 | H31 | 179.9° | 180.0° |
| C22 | C12 | C61 | C51 | 0.8° | 0.5° |
| C22 | C12 | C61 | H61 | 179.3° | 179.7° |
| C22 | C12 | N11 | CA1 | 42.2° | 144.2° |
| C61 | C12 | N11 | HN12 | 41.4° | 143.9° |
| C61 | C12 | C22 | C32 | 0.3° | 0.3° |
| C61 | C12 | C22 | H21 | 179.7° | 179.9° |
| C12 | C61 | C51 | C41 | 0.9° | 0.5° |
| C12 | C61 | C51 | H61 | 180.0° | 179.8° |
| C12 | C61 | C51 | H51 | 179.1° | 179.7° |
| C61 | C12 | N11 | CA1 | 138.7° | 36.1° |
| C22 | C32 | C41 | H31 | 180.0° | 180.0° |
| C22 | C32 | C41 | C51 | 0.1° | 0.0° |
| C22 | C32 | C41 | C1' | 179.5° | 180.0° |
| H21 | C22 | C32 | C41 | 180.0° | 179.9° |
| H21 | C22 | C32 | H31 | 0.1° | 0.1° |
| C32 | C41 | C51 | C1' | 179.4° | 180.0° |
| C32 | C41 | C51 | C61 | 0.6° | 0.2° |
| C32 | C41 | C51 | H51 | 179.4° | 180.0° |
| C32 | C41 | C1' | C2' | 13.5° | 120.0° |
| C32 | C41 | C1' | C3' | 131.8° | 120.0° |
| C32 | C41 | C1' | H1' | 104.6° | 0.0° |
| H31 | C32 | C41 | C51 | 179.9° | 180.0° |
| H31 | C32 | C41 | C1' | 0.5° | 0.0° |
| C41 | C51 | C61 | H51 | 180.0° | 179.8° |
| C41 | C51 | C61 | H61 | 179.1° | 179.7° |
| C51 | C41 | C1' | C2' | 167.0° | 60.0° |
| C51 | C41 | C1' | C3' | 48.7° | 60.0° |
| C51 | C41 | C1' | H1' | 74.8° | 180.0° |
| C1' | C41 | C51 | C61 | 180.0° | 179.7° |
| C1' | C41 | C51 | H51 | 0.0° | 0.1° |
| C41 | C1' | C2' | C3' | 117.0° | 120.0° |
| C41 | C1' | C2' | H1' | 119.5° | 120.0° |
| C41 | C1' | C3' | H1' | 119.4° | 120.0° |
| C41 | C1' | C2' | H2'1 | 23.5° | 60.0° |
| C41 | C1' | C2' | H2'2 | 96.5° | 180.0° |
| C41 | C1' | C2' | H2'3 | 143.4° | 60.0° |
| C41 | C1' | C3' | H3'1 | 142.1° | 60.0° |
| C41 | C1' | C3' | H3'2 | 22.2° | 179.9° |
| C41 | C1' | C3' | H3'3 | 97.9° | 60.0° |
| H51 | C51 | C61 | H61 | 0.9° | 0.1° |
| C2' | C1' | C3' | H1' | 118.1° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 120.0° | 119.9° |
| 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 | 95.3° | 180.0° |
| C2' | C1' | C3' | H3'2 | 144.7° | 60.0° |
| C2' | C1' | C3' | H3'3 | 24.6° | 60.0° |
| C3' | C1' | C2' | H2'1 | 93.5° | 60.0° |
| C3' | C1' | C2' | H2'2 | 146.5° | 60.0° |
| C3' | C1' | C2' | H2'3 | 26.5° | 180.0° |
| C1' | C3' | H3'1 | H3'2 | 120.0° | 120.0° |
| 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 | 143.0° | 179.9° |
| H1' | C1' | C2' | H2'2 | 23.0° | 60.0° |
| H1' | C1' | C2' | H2'3 | 97.1° | 60.0° |
| H1' | C1' | C3' | H3'1 | 22.7° | 60.0° |
| H1' | C1' | C3' | H3'2 | 97.2° | 60.0° |
| H1' | C1' | C3' | H3'3 | 142.7° | 180.0° |
| H2'1 | C2' | H2'2 | H2'3 | 120.0° | 120.1° |
| H3'1 | C3' | H3'2 | H3'3 | 120.0° | 120.0° |
