544
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.52Å | |
| N | C1A | sing | 1.37Å | 1.44Å | |
| N | HN | sing | 0.99Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | C | sing | 1.52Å | 1.52Å | |
| CA | HA1 | sing | 1.10Å | 1.12Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CB | HB1 | sing | 1.10Å | 1.12Å | |
| CB | HB2 | sing | 1.10Å | 1.11Å | |
| CG | CD1 | doub | 1.39Å | 1.44Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.43Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.42Å | Aromatic |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD2 | CE2 | doub | 1.39Å | 1.40Å | Aromatic |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CE1 | CZ | doub | 1.40Å | 1.42Å | Aromatic |
| CE1 | HE11 | sing | 1.09Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.46Å | Aromatic |
| CE2 | HE21 | sing | 1.09Å | 1.10Å | |
| CZ | OH | sing | 1.36Å | 1.42Å | |
| OH | C3A | sing | 1.43Å | 1.46Å | |
| C1A | C1F | doub | 1.35Å | 1.39Å | |
| C1A | C1B | sing | 1.51Å | 1.52Å | |
| C1F | C1G | sing | 1.49Å | 1.58Å | |
| C1F | H1F1 | sing | 1.09Å | 1.08Å | |
| C1B | H1B1 | sing | 1.10Å | 1.12Å | |
| C1B | H1B2 | sing | 1.10Å | 1.12Å | |
| C1B | H1B3 | sing | 1.10Å | 1.11Å | |
| C1H | C1I | doub | 1.38Å | 1.45Å | Aromatic |
| C1H | C1M | sing | 1.38Å | 1.43Å | Aromatic |
| C1H | C1G | sing | 1.48Å | 1.44Å | |
| C1I | C1J | sing | 1.39Å | 1.42Å | Aromatic |
| C1I | H1I1 | sing | 1.09Å | 1.10Å | |
| C1J | C1K | doub | 1.39Å | 1.42Å | Aromatic |
| C1J | H1J1 | sing | 1.09Å | 1.10Å | |
| C1K | C1L | sing | 1.40Å | 1.43Å | Aromatic |
| C1K | H1K1 | sing | 1.09Å | 1.10Å | |
| C1L | C1M | doub | 1.39Å | 1.42Å | Aromatic |
| C1L | H1L1 | sing | 1.09Å | 1.10Å | |
| C1M | H1M1 | sing | 1.09Å | 1.10Å | |
| C1G | O1G | doub | 1.22Å | 1.25Å | |
| O3F | C3G | sing | 1.36Å | 1.39Å | Aromatic |
| O3F | C3D | sing | 1.36Å | 1.37Å | Aromatic |
| C3G | N3H | doub | 1.31Å | 1.42Å | Aromatic |
| C3G | C3I | sing | 1.44Å | 1.40Å | Aromatic |
| N3H | C3C | sing | 1.36Å | 1.39Å | Aromatic |
| C3C | C3D | doub | 1.35Å | 1.43Å | Aromatic |
| C3C | C3B | sing | 1.50Å | 1.56Å | |
| C3D | C3E | sing | 1.47Å | 1.54Å | |
| C3E | H3E1 | sing | 1.11Å | 1.12Å | |
| C3E | H3E2 | sing | 1.11Å | 1.11Å | |
| C3E | H3E3 | sing | 1.11Å | 1.11Å | |
| C3I | C3N | doub | 1.40Å | 1.44Å | Aromatic |
| C3I | C3J | sing | 1.40Å | 1.43Å | Aromatic |
| C3N | C3M | sing | 1.39Å | 1.42Å | Aromatic |
| C3N | H3N1 | sing | 1.09Å | 1.10Å | |
| C3M | C3L | doub | 1.39Å | 1.41Å | Aromatic |
| C3M | H3M1 | sing | 1.09Å | 1.10Å | |
| C3L | C3K | sing | 1.40Å | 1.42Å | Aromatic |
| C3L | H3L1 | sing | 1.09Å | 1.10Å | |
| C3K | C3J | doub | 1.39Å | 1.42Å | Aromatic |
| C3K | H3K1 | sing | 1.09Å | 1.10Å | |
| C3J | H3J1 | sing | 1.09Å | 1.10Å | |
| C3A | C3B | sing | 1.53Å | 1.53Å | |
| C3A | H3A1 | sing | 1.09Å | 1.11Å | |
| C3A | H3A2 | sing | 1.09Å | 1.11Å | |
| C3B | H3B1 | sing | 1.10Å | 1.11Å | |
| C3B | H3B2 | sing | 1.10Å | 1.12Å | |
| O2 | C | doub | 1.23Å | 1.25Å | |
| O1 | C | sing | 1.35Å | 1.26Å | |
| O1 | HO11 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C1A | 131.8° | 120.5° |
| CA | N | HN | 104.5° | 122.8° |
| N | CA | CB | 110.8° | 111.1° |
| N | CA | C | 117.1° | 111.1° |
| N | CA | HA1 | 104.2° | 106.2° |
| C1A | N | HN | 104.5° | 116.7° |
| N | C1A | C1F | 117.2° | 126.3° |
| N | C1A | C1B | 124.5° | 114.6° |
| CB | CA | C | 113.0° | 110.0° |
| CB | CA | HA1 | 109.2° | 111.4° |
| CA | CB | CG | 112.8° | 113.0° |
| CA | CB | HB1 | 111.0° | 110.4° |
| CA | CB | HB2 | 111.0° | 110.1° |
| C | CA | HA1 | 101.5° | 106.9° |
| CA | C | O2 | 117.4° | 123.0° |
| CA | C | O1 | 120.1° | 114.8° |
| CG | CB | HB1 | 111.0° | 108.1° |
| CG | CB | HB2 | 111.0° | 109.7° |
| CB | CG | CD1 | 119.6° | 119.3° |
| CB | CG | CD2 | 120.6° | 119.4° |
| HB1 | CB | HB2 | 99.3° | 105.2° |
| CD1 | CG | CD2 | 119.8° | 121.3° |
| CG | CD1 | CE1 | 119.9° | 119.3° |
| CG | CD1 | HD11 | 120.8° | 121.2° |
| CG | CD2 | CE2 | 119.9° | 119.3° |
| CG | CD2 | HD21 | 121.3° | 121.2° |
| CE1 | CD1 | HD11 | 119.4° | 119.5° |
| CD1 | CE1 | CZ | 120.7° | 120.0° |
| CD1 | CE1 | HE11 | 119.7° | 119.6° |
| CE2 | CD2 | HD21 | 118.8° | 119.5° |
| CD2 | CE2 | CZ | 121.1° | 120.1° |
| CD2 | CE2 | HE21 | 117.2° | 119.6° |
| CZ | CE1 | HE11 | 119.6° | 120.3° |
| CE1 | CZ | CE2 | 118.7° | 120.0° |
| CE1 | CZ | OH | 115.8° | 120.0° |
| CZ | CE2 | HE21 | 121.7° | 120.3° |
| CE2 | CZ | OH | 125.5° | 120.0° |
| CZ | OH | C3A | 119.4° | 117.0° |
| OH | C3A | C3B | 107.8° | 109.7° |
| OH | C3A | H3A1 | 112.8° | 107.8° |
| OH | C3A | H3A2 | 112.9° | 108.9° |
| C1F | C1A | C1B | 118.3° | 119.1° |
| C1A | C1F | C1G | 128.5° | 123.5° |
| C1A | C1F | H1F1 | 115.7° | 119.5° |
| C1A | C1B | H1B1 | 106.9° | 112.6° |
| C1A | C1B | H1B2 | 124.5° | 110.3° |
| C1A | C1B | H1B3 | 106.9° | 110.2° |
| C1G | C1F | H1F1 | 115.7° | 117.0° |
| C1F | C1G | C1H | 122.8° | 117.5° |
| C1F | C1G | O1G | 118.6° | 122.9° |
| H1B1 | C1B | H1B2 | 106.9° | 107.6° |
| H1B1 | C1B | H1B3 | 102.7° | 107.6° |
| H1B2 | C1B | H1B3 | 106.9° | 108.4° |
| C1I | C1H | C1M | 118.6° | 122.1° |
| C1I | C1H | C1G | 118.9° | 119.0° |
| C1H | C1I | C1J | 120.9° | 119.0° |
| C1H | C1I | H1I1 | 120.8° | 121.6° |
| C1M | C1H | C1G | 122.5° | 119.0° |
| C1H | C1M | C1L | 120.3° | 119.0° |
| C1H | C1M | H1M1 | 120.4° | 121.6° |
| C1H | C1G | O1G | 118.6° | 119.5° |
| C1J | C1I | H1I1 | 118.3° | 119.4° |
| C1I | C1J | C1K | 119.6° | 120.0° |
| C1I | C1J | H1J1 | 119.9° | 120.0° |
| C1K | C1J | H1J1 | 120.4° | 120.0° |
| C1J | C1K | C1L | 120.3° | 120.0° |
| C1J | C1K | H1K1 | 119.5° | 120.0° |
| C1L | C1K | H1K1 | 120.2° | 120.0° |
| C1K | C1L | C1M | 120.2° | 120.0° |
| C1K | C1L | H1L1 | 120.3° | 120.0° |
| C1M | C1L | H1L1 | 119.5° | 120.0° |
| C1L | C1M | H1M1 | 119.3° | 119.4° |
| C3G | O3F | C3D | 107.7° | 103.6° |
| O3F | C3G | N3H | 110.4° | 115.4° |
| O3F | C3G | C3I | 123.6° | 115.2° |
| O3F | C3D | C3C | 108.0° | 106.8° |
| O3F | C3D | C3E | 122.8° | 117.1° |
| N3H | C3G | C3I | 126.0° | 129.4° |
| C3G | N3H | C3C | 105.0° | 101.9° |
| C3G | C3I | C3N | 122.5° | 120.3° |
| C3G | C3I | C3J | 119.3° | 120.2° |
| N3H | C3C | C3D | 108.9° | 112.3° |
| N3H | C3C | C3B | 122.1° | 119.8° |
| C3D | C3C | C3B | 129.0° | 127.9° |
| C3C | C3D | C3E | 129.3° | 136.0° |
| C3C | C3B | C3A | 112.7° | 112.9° |
| C3C | C3B | H3B1 | 111.0° | 109.6° |
| C3C | C3B | H3B2 | 111.0° | 109.1° |
| C3D | C3E | H3E1 | 107.5° | 111.6° |
| C3D | C3E | H3E2 | 122.8° | 112.4° |
| C3D | C3E | H3E3 | 107.5° | 112.4° |
| H3E1 | C3E | H3E2 | 107.5° | 107.2° |
| H3E1 | C3E | H3E3 | 102.3° | 107.3° |
| H3E2 | C3E | H3E3 | 107.5° | 105.6° |
| C3N | C3I | C3J | 118.2° | 119.6° |
| C3I | C3N | C3M | 120.6° | 120.2° |
| C3I | C3N | H3N1 | 120.6° | 120.6° |
| C3I | C3J | C3K | 120.7° | 120.2° |
| C3I | C3J | H3J1 | 120.0° | 120.7° |
| C3M | C3N | H3N1 | 118.7° | 119.2° |
| C3N | C3M | C3L | 120.1° | 120.0° |
| C3N | C3M | H3M1 | 120.1° | 119.9° |
| C3L | C3M | H3M1 | 119.8° | 120.1° |
| C3M | C3L | C3K | 120.1° | 120.0° |
| C3M | C3L | H3L1 | 119.7° | 120.0° |
| C3K | C3L | H3L1 | 120.2° | 119.9° |
| C3L | C3K | C3J | 120.2° | 120.0° |
| C3L | C3K | H3K1 | 119.9° | 120.0° |
| C3J | C3K | H3K1 | 119.9° | 120.0° |
| C3K | C3J | H3J1 | 119.4° | 119.1° |
| C3B | C3A | H3A1 | 112.9° | 109.8° |
| C3B | C3A | H3A2 | 112.8° | 111.8° |
| C3A | C3B | H3B1 | 111.0° | 109.6° |
| C3A | C3B | H3B2 | 111.0° | 109.0° |
| H3A1 | C3A | H3A2 | 97.6° | 108.8° |
| H3B1 | C3B | H3B2 | 99.3° | 106.6° |
| O2 | C | O1 | 122.6° | 122.2° |
| C | O1 | HO11 | 120.1° | 114.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C1A | HN | 125.3° | 179.9° |
| N | CA | CB | C | 133.7° | 123.5° |
| N | CA | CB | HA1 | 114.2° | 118.2° |
| N | CA | C | HA1 | 112.6° | 115.5° |
| N | CA | CB | CG | 51.1° | 61.8° |
| N | CA | CB | HB1 | 176.4° | 177.0° |
| N | CA | CB | HB2 | 74.1° | 61.3° |
| CA | N | C1A | C1F | 178.8° | 150.1° |
| CA | N | C1A | C1B | 0.8° | 29.6° |
| N | CA | C | O2 | 148.2° | 34.5° |
| N | CA | C | O1 | 31.4° | 145.1° |
| C1A | N | CA | CB | 173.8° | 178.7° |
| C1A | N | CA | C | 54.6° | 55.9° |
| C1A | N | CA | HA1 | 56.4° | 60.0° |
| N | C1A | C1F | C1B | 179.7° | 179.7° |
| N | C1A | C1F | C1G | 0.7° | 0.9° |
| N | C1A | C1F | H1F1 | 179.3° | 179.9° |
| N | C1A | C1B | H1B1 | 54.7° | 179.1° |
| N | C1A | C1B | H1B2 | 180.0° | 59.0° |
| N | C1A | C1B | H1B3 | 54.7° | 60.7° |
| HN | N | CA | CB | 48.5° | 1.4° |
| HN | N | CA | C | 179.9° | 124.2° |
| HN | N | CA | HA1 | 68.8° | 119.9° |
| HN | N | C1A | C1F | 53.6° | 30.0° |
| HN | N | C1A | C1B | 126.1° | 150.3° |
| CB | CA | C | HA1 | 116.8° | 121.1° |
| CA | CB | CG | HB1 | 125.3° | 122.5° |
| CA | CB | CG | HB2 | 125.3° | 123.3° |
| CA | CB | HB1 | HB2 | 116.9° | 118.8° |
| CA | CB | CG | CD1 | 102.7° | 90.0° |
| CA | CB | CG | CD2 | 77.1° | 90.0° |
| CB | CA | C | O2 | 81.2° | 88.9° |
| CB | CA | C | O1 | 99.2° | 91.4° |
| C | CA | CB | CG | 175.2° | 61.6° |
| C | CA | CB | HB1 | 49.9° | 59.5° |
| C | CA | CB | HB2 | 59.6° | 175.3° |
| CA | C | O2 | O1 | 179.6° | 179.6° |
| CA | C | O1 | HO11 | 180.0° | 179.7° |
| HA1 | CA | CB | CG | 63.1° | 180.0° |
| HA1 | CA | CB | HB1 | 62.2° | 58.9° |
| HA1 | CA | CB | HB2 | 171.7° | 56.9° |
| HA1 | CA | C | O2 | 35.6° | 150.0° |
| HA1 | CA | C | O1 | 144.0° | 29.6° |
| CG | CB | HB1 | HB2 | 116.9° | 117.2° |
| CB | CG | CD1 | CD2 | 179.8° | 180.0° |
| CB | CG | CD1 | CE1 | 179.6° | 179.9° |
| CB | CG | CD1 | HD11 | 0.4° | 0.0° |
| CB | CG | CD2 | CE2 | 179.7° | 180.0° |
| CB | CG | CD2 | HD21 | 0.4° | 0.0° |
| HB1 | CB | CG | CD1 | 132.0° | 147.5° |
| HB1 | CB | CG | CD2 | 48.1° | 32.5° |
| HB2 | CB | CG | CD1 | 22.6° | 33.3° |
| HB2 | CB | CG | CD2 | 157.6° | 146.7° |
| CG | CD1 | CE1 | HD11 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.0° |
| CD1 | CG | CD2 | HD21 | 179.8° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.1° |
| CG | CD1 | CE1 | HE11 | 179.8° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.0° |
| CD2 | CG | CD1 | HD11 | 179.8° | 180.0° |
| CG | CD2 | CE2 | HD21 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CG | CD2 | CE2 | HE21 | 179.9° | 179.9° |
| CD1 | CE1 | CZ | HE11 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | OH | 179.9° | 179.9° |
| HD11 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD11 | CD1 | CE1 | HE11 | 0.2° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | HE21 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.9° | 179.9° |
| HD21 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD21 | CD2 | CE2 | HE21 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | OH | 179.8° | 179.9° |
| CE1 | CZ | CE2 | HE21 | 179.9° | 179.9° |
| CE1 | CZ | OH | C3A | 172.4° | 150.0° |
| HE11 | CE1 | CZ | CE2 | 179.9° | 180.0° |
| HE11 | CE1 | CZ | OH | 0.1° | 0.1° |
| CE2 | CZ | OH | C3A | 7.8° | 30.1° |
| HE21 | CE2 | CZ | OH | 0.1° | 0.0° |
| CZ | OH | C3A | C3B | 166.0° | 150.4° |
| CZ | OH | C3A | H3A1 | 40.7° | 90.1° |
| CZ | OH | C3A | H3A2 | 68.8° | 27.8° |
| OH | C3A | C3B | C3C | 70.7° | 61.7° |
| OH | C3A | C3B | H3A1 | 125.3° | 118.3° |
| OH | C3A | C3B | H3A2 | 125.3° | 120.9° |
| OH | C3A | H3A1 | H3A2 | 118.8° | 117.9° |
| OH | C3A | C3B | H3B1 | 54.6° | 60.7° |
| OH | C3A | C3B | H3B2 | 164.1° | 177.0° |
| C1A | C1F | C1G | H1F1 | 180.0° | 179.0° |
| C1F | C1A | C1B | H1B1 | 125.6° | 0.6° |
| C1F | C1A | C1B | H1B2 | 0.4° | 120.7° |
| C1F | C1A | C1B | H1B3 | 124.9° | 119.6° |
| C1A | C1F | C1G | C1H | 178.4° | 151.0° |
| C1A | C1F | C1G | O1G | 2.0° | 30.8° |
| C1B | C1A | C1F | C1G | 179.6° | 179.4° |
| C1B | C1A | C1F | H1F1 | 0.4° | 0.4° |
| C1A | C1B | H1B1 | H1B2 | 135.3° | 121.7° |
| C1A | C1B | H1B1 | H1B3 | 112.4° | 121.6° |
| C1A | C1B | H1B2 | H1B3 | 125.3° | 120.8° |
| C1F | C1G | C1H | C1I | 145.7° | 30.0° |
| C1F | C1G | C1H | C1M | 34.0° | 150.0° |
| C1F | C1G | C1H | O1G | 179.6° | 178.3° |
| H1F1 | C1F | C1G | C1H | 1.6° | 30.0° |
| H1F1 | C1F | C1G | O1G | 178.0° | 148.3° |
| H1B1 | C1B | H1B2 | H1B3 | 109.4° | 116.1° |
| C1I | C1H | C1M | C1G | 179.8° | 180.0° |
| C1H | C1I | C1J | H1I1 | 180.0° | 179.9° |
| C1H | C1I | C1J | C1K | 0.0° | 0.1° |
| C1H | C1I | C1J | H1J1 | 180.0° | 179.9° |
| C1I | C1H | C1M | C1L | 0.4° | 0.0° |
| C1I | C1H | C1M | H1M1 | 179.6° | 179.9° |
| C1I | C1H | C1G | O1G | 34.7° | 151.7° |
| C1M | C1H | C1I | C1J | 0.4° | 0.1° |
| C1M | C1H | C1I | H1I1 | 179.6° | 179.9° |
| C1H | C1M | C1L | C1K | 0.0° | 0.1° |
| C1H | C1M | C1L | H1M1 | 180.0° | 179.9° |
| C1H | C1M | C1L | H1L1 | 180.0° | 180.0° |
| C1M | C1H | C1G | O1G | 145.6° | 28.3° |
| C1G | C1H | C1I | C1J | 179.8° | 179.9° |
| C1G | C1H | C1I | H1I1 | 0.2° | 0.1° |
| C1G | C1H | C1M | C1L | 179.8° | 180.0° |
| C1G | C1H | C1M | H1M1 | 0.2° | 0.1° |
| C1I | C1J | C1K | H1J1 | 180.0° | 179.9° |
| C1I | C1J | C1K | C1L | 0.4° | 0.0° |
| C1I | C1J | C1K | H1K1 | 179.6° | 179.9° |
| H1I1 | C1I | C1J | C1K | 180.0° | 180.0° |
| H1I1 | C1I | C1J | H1J1 | 0.0° | 0.2° |
| C1J | C1K | C1L | H1K1 | 180.0° | 180.0° |
| C1J | C1K | C1L | C1M | 0.4° | 0.0° |
| C1J | C1K | C1L | H1L1 | 179.6° | 180.0° |
| H1J1 | C1J | C1K | C1L | 179.6° | 179.9° |
| H1J1 | C1J | C1K | H1K1 | 0.4° | 0.1° |
| C1K | C1L | C1M | H1L1 | 180.0° | 179.9° |
| C1K | C1L | C1M | H1M1 | 180.0° | 180.0° |
| H1K1 | C1K | C1L | C1M | 179.6° | 180.0° |
| H1K1 | C1K | C1L | H1L1 | 0.4° | 0.0° |
| H1L1 | C1L | C1M | H1M1 | 0.0° | 0.1° |
| O3F | C3G | N3H | C3I | 178.3° | 180.0° |
| O3F | C3G | N3H | C3C | 0.8° | 0.0° |
| C3G | O3F | C3D | C3C | 0.7° | 0.1° |
| C3G | O3F | C3D | C3E | 179.7° | 179.9° |
| O3F | C3G | C3I | C3N | 179.7° | 160.0° |
| O3F | C3G | C3I | C3J | 1.3° | 19.9° |
| C3D | O3F | C3G | N3H | 0.9° | 0.1° |
| C3D | O3F | C3G | C3I | 179.3° | 180.0° |
| O3F | C3D | C3C | N3H | 0.2° | 0.1° |
| O3F | C3D | C3C | C3E | 179.6° | 179.8° |
| O3F | C3D | C3C | C3B | 179.6° | 180.0° |
| O3F | C3D | C3E | H3E1 | 54.7° | 122.8° |
| O3F | C3D | C3E | H3E2 | 180.0° | 2.4° |
| O3F | C3D | C3E | H3E3 | 54.7° | 116.6° |
| C3G | N3H | C3C | C3D | 0.4° | 0.0° |
| C3G | N3H | C3C | C3B | 179.8° | 180.0° |
| N3H | C3G | C3I | C3N | 1.7° | 20.0° |
| N3H | C3G | C3I | C3J | 179.3° | 160.0° |
| C3I | C3G | N3H | C3C | 179.1° | 180.0° |
| C3G | C3I | C3N | C3J | 179.0° | 180.0° |
| C3G | C3I | C3N | C3M | 179.3° | 180.0° |
| C3G | C3I | C3N | H3N1 | 0.7° | 0.0° |
| C3G | C3I | C3J | C3K | 179.3° | 180.0° |
| C3G | C3I | C3J | H3J1 | 0.7° | 0.1° |
| N3H | C3C | C3D | C3B | 179.8° | 179.9° |
| N3H | C3C | C3D | C3E | 179.8° | 179.9° |
| N3H | C3C | C3B | C3A | 90.3° | 89.9° |
| N3H | C3C | C3B | H3B1 | 144.4° | 32.5° |
| N3H | C3C | C3B | H3B2 | 34.9° | 148.8° |
| C3C | C3D | C3E | H3E1 | 125.7° | 56.9° |
| C3C | C3D | C3E | H3E2 | 0.4° | 177.4° |
| C3C | C3D | C3E | H3E3 | 124.9° | 63.6° |
| C3D | C3C | C3B | C3A | 89.9° | 90.0° |
| C3D | C3C | C3B | H3B1 | 35.4° | 147.6° |
| C3D | C3C | C3B | H3B2 | 144.9° | 31.3° |
| C3B | C3C | C3D | C3E | 0.0° | 0.2° |
| C3C | C3B | C3A | H3B1 | 125.2° | 122.4° |
| C3C | C3B | C3A | H3B2 | 125.3° | 121.4° |
| C3C | C3B | C3A | H3A1 | 54.6° | 180.0° |
| C3C | C3B | C3A | H3A2 | 164.1° | 59.2° |
| C3C | C3B | H3B1 | H3B2 | 116.9° | 117.9° |
| C3D | C3E | H3E1 | H3E2 | 133.9° | 123.5° |
| C3D | C3E | H3E1 | H3E3 | 113.0° | 123.5° |
| C3D | C3E | H3E2 | H3E3 | 125.3° | 122.9° |
| H3E1 | C3E | H3E2 | H3E3 | 109.5° | 114.2° |
| C3I | C3N | C3M | H3N1 | 180.0° | 180.0° |
| C3I | C3N | C3M | C3L | 0.0° | 0.0° |
| C3I | C3N | C3M | H3M1 | 180.0° | 179.9° |
| C3N | C3I | C3J | C3K | 0.3° | 0.0° |
| C3N | C3I | C3J | H3J1 | 179.7° | 179.9° |
| C3J | C3I | C3N | C3M | 0.3° | 0.0° |
| C3J | C3I | C3N | H3N1 | 179.7° | 180.0° |
| C3I | C3J | C3K | C3L | 0.0° | 0.0° |
| C3I | C3J | C3K | H3J1 | 180.0° | 179.9° |
| C3I | C3J | C3K | H3K1 | 180.0° | 179.9° |
| C3N | C3M | C3L | H3M1 | 180.0° | 180.0° |
| C3N | C3M | C3L | C3K | 0.3° | 0.1° |
| C3N | C3M | C3L | H3L1 | 179.7° | 180.0° |
| H3N1 | C3N | C3M | C3L | 180.0° | 180.0° |
| H3N1 | C3N | C3M | H3M1 | 0.1° | 0.0° |
| C3M | C3L | C3K | H3L1 | 180.0° | 179.9° |
| C3M | C3L | C3K | C3J | 0.3° | 0.0° |
| C3M | C3L | C3K | H3K1 | 179.7° | 180.0° |
| H3M1 | C3M | C3L | C3K | 179.7° | 179.9° |
| H3M1 | C3M | C3L | H3L1 | 0.2° | 0.0° |
| C3L | C3K | C3J | H3K1 | 180.0° | 179.9° |
| C3L | C3K | C3J | H3J1 | 180.0° | 179.9° |
| H3L1 | C3L | C3K | C3J | 179.7° | 180.0° |
| H3L1 | C3L | C3K | H3K1 | 0.3° | 0.1° |
| H3K1 | C3K | C3J | H3J1 | 0.0° | 0.0° |
| C3B | C3A | H3A1 | H3A2 | 118.7° | 122.6° |
| C3A | C3B | H3B1 | H3B2 | 116.9° | 117.8° |
| H3A1 | C3A | C3B | H3B1 | 179.9° | 57.6° |
| H3A1 | C3A | C3B | H3B2 | 70.7° | 58.6° |
| H3A2 | C3A | C3B | H3B1 | 70.7° | 178.4° |
| H3A2 | C3A | C3B | H3B2 | 38.8° | 62.1° |
| O2 | C | O1 | HO11 | 0.4° | 0.0° |






