0E8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | doub | 1.21Å | 1.24Å | |
| C | O2 | sing | 1.35Å | 1.44Å | |
| O2 | CT | sing | 1.45Å | 1.45Å | |
| CT | C1 | sing | 1.53Å | 1.54Å | |
| CT | C2 | sing | 1.53Å | 1.51Å | |
| CT | C3 | sing | 1.53Å | 1.56Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | O | sing | 1.43Å | 1.39Å | |
| C4 | CA | sing | 1.53Å | 1.55Å | |
| C4 | HC | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CA | N | sing | 1.47Å | 1.42Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.42Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| N1 | C21 | sing | 1.47Å | 1.47Å | |
| N1 | C31 | sing | 1.47Å | 1.48Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| C21 | H231 | sing | 1.09Å | 1.10Å | |
| C31 | H321 | sing | 1.09Å | 1.10Å | |
| C31 | H331 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | sing | 1.43Å | 1.41Å | |
| C5 | CA1 | sing | 1.53Å | 1.53Å | |
| C5 | HC1 | sing | 1.09Å | 1.10Å | |
| O3 | HO1 | sing | 0.97Å | 0.95Å | |
| CA1 | N2 | sing | 1.46Å | 1.46Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| CB1 | CG1 | sing | 1.51Å | 1.52Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB31 | sing | 1.09Å | 1.10Å | |
| CG1 | CD11 | doub | 1.38Å | 1.38Å | Aromatic |
| CG1 | CD21 | sing | 1.38Å | 1.40Å | Aromatic |
| CD11 | CE11 | sing | 1.38Å | 1.42Å | Aromatic |
| CD11 | HD11 | sing | 1.08Å | 1.08Å | |
| CD21 | CE21 | doub | 1.38Å | 1.40Å | Aromatic |
| CD21 | HD21 | sing | 1.08Å | 1.08Å | |
| CE11 | CZ1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE11 | HE11 | sing | 1.08Å | 1.08Å | |
| CE21 | CZ1 | sing | 1.38Å | 1.40Å | Aromatic |
| CE21 | HE21 | sing | 1.08Å | 1.08Å | |
| CZ1 | HZ1 | sing | 1.08Å | 1.08Å | |
| O11 | C6 | doub | 1.22Å | 1.21Å | |
| C6 | O21 | sing | 1.35Å | 1.38Å | |
| O21 | CT1 | sing | 1.45Å | 1.45Å | |
| CT1 | C11 | sing | 1.53Å | 1.52Å | |
| CT1 | C22 | sing | 1.53Å | 1.53Å | |
| CT1 | C32 | sing | 1.53Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H121 | sing | 1.09Å | 1.10Å | |
| C11 | H131 | sing | 1.09Å | 1.10Å | |
| C22 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H232 | sing | 1.09Å | 1.10Å | |
| C32 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H332 | sing | 1.09Å | 1.10Å | |
| C | N | sing | 1.35Å | 1.32Å | |
| C4 | C21 | sing | 1.53Å | 1.50Å | |
| C31 | C5 | sing | 1.53Å | 1.56Å | |
| N2 | C6 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | O2 | 123.5° | 120.0° |
| O1 | C | N | 129.3° | 120.0° |
| C | O2 | CT | 120.3° | 117.0° |
| O2 | C | N | 107.0° | 120.0° |
| O2 | CT | C1 | 108.7° | 109.4° |
| O2 | CT | C2 | 116.8° | 109.4° |
| O2 | CT | C3 | 107.9° | 109.5° |
| C1 | CT | C2 | 110.6° | 109.5° |
| C1 | CT | C3 | 106.1° | 109.5° |
| CT | C1 | H11 | 109.5° | 109.5° |
| CT | C1 | H12 | 109.5° | 109.4° |
| CT | C1 | H13 | 109.5° | 109.5° |
| C2 | CT | C3 | 106.1° | 109.5° |
| CT | C2 | H21 | 109.5° | 109.5° |
| CT | C2 | H22 | 109.5° | 109.5° |
| CT | C2 | H23 | 109.5° | 109.5° |
| CT | C3 | H31 | 109.5° | 109.5° |
| CT | C3 | H32 | 109.5° | 109.5° |
| CT | C3 | H33 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.4° |
| O | C4 | CA | 105.0° | 109.5° |
| O | C4 | HC | 109.5° | 109.5° |
| C4 | O | HO | 109.5° | 114.0° |
| O | C4 | C21 | 115.4° | 109.5° |
| CA | C4 | HC | 113.0° | 109.5° |
| C4 | CA | N | 110.4° | 109.5° |
| C4 | CA | CB | 107.5° | 109.5° |
| C4 | CA | HA | 111.1° | 109.5° |
| CA | C4 | C21 | 112.1° | 109.5° |
| HC | C4 | C21 | 102.1° | 109.5° |
| N | CA | CB | 112.0° | 109.5° |
| N | CA | HA | 106.4° | 109.4° |
| CA | N | H | 118.3° | 120.0° |
| CA | N | C | 123.3° | 120.0° |
| CB | CA | HA | 109.4° | 109.5° |
| CA | CB | CG | 107.0° | 109.5° |
| CA | CB | HB2 | 110.3° | 109.5° |
| CA | CB | HB3 | 110.3° | 109.5° |
| H | N | C | 118.4° | 120.0° |
| CG | CB | HB2 | 110.3° | 109.4° |
| CG | CB | HB3 | 110.3° | 109.5° |
| CB | CG | CD1 | 116.5° | 120.0° |
| CB | CG | CD2 | 119.2° | 120.0° |
| HB2 | CB | HB3 | 108.6° | 109.5° |
| CD1 | CG | CD2 | 124.3° | 120.0° |
| CG | CD1 | CE1 | 116.4° | 120.0° |
| CG | CD1 | HD1 | 121.8° | 120.0° |
| CG | CD2 | CE2 | 117.0° | 119.9° |
| CG | CD2 | HD2 | 121.5° | 120.0° |
| CE1 | CD1 | HD1 | 121.8° | 120.0° |
| CD1 | CE1 | CZ | 120.7° | 120.0° |
| CD1 | CE1 | HE1 | 119.6° | 120.0° |
| CE2 | CD2 | HD2 | 121.5° | 120.0° |
| CD2 | CE2 | CZ | 120.6° | 120.0° |
| CD2 | CE2 | HE2 | 119.7° | 120.0° |
| CZ | CE1 | HE1 | 119.7° | 120.1° |
| CE1 | CZ | CE2 | 120.9° | 120.0° |
| CE1 | CZ | HZ | 119.6° | 120.0° |
| CZ | CE2 | HE2 | 119.7° | 120.0° |
| CE2 | CZ | HZ | 119.5° | 120.0° |
| C21 | N1 | C31 | 105.6° | 111.0° |
| C21 | N1 | HN1 | 110.8° | 111.0° |
| N1 | C21 | H221 | 109.4° | 109.4° |
| N1 | C21 | H231 | 109.4° | 109.5° |
| N1 | C21 | C4 | 109.9° | 109.5° |
| C31 | N1 | HN1 | 110.8° | 110.9° |
| N1 | C31 | H321 | 109.0° | 109.4° |
| N1 | C31 | H331 | 109.0° | 109.5° |
| N1 | C31 | C5 | 111.0° | 109.5° |
| H221 | C21 | H231 | 109.6° | 109.5° |
| H221 | C21 | C4 | 109.3° | 109.5° |
| H231 | C21 | C4 | 109.3° | 109.5° |
| H321 | C31 | H331 | 110.0° | 109.5° |
| H321 | C31 | C5 | 109.0° | 109.5° |
| H331 | C31 | C5 | 109.0° | 109.5° |
| O3 | C5 | CA1 | 113.2° | 109.5° |
| O3 | C5 | HC1 | 109.9° | 109.5° |
| C5 | O3 | HO1 | 109.5° | 114.1° |
| O3 | C5 | C31 | 105.5° | 109.4° |
| CA1 | C5 | HC1 | 105.3° | 109.5° |
| C5 | CA1 | N2 | 111.5° | 109.5° |
| C5 | CA1 | CB1 | 109.3° | 109.5° |
| C5 | CA1 | HA1 | 109.8° | 109.5° |
| CA1 | C5 | C31 | 110.0° | 109.5° |
| HC1 | C5 | C31 | 113.1° | 109.5° |
| N2 | CA1 | CB1 | 113.9° | 109.5° |
| N2 | CA1 | HA1 | 104.8° | 109.4° |
| CA1 | N2 | H1 | 117.4° | 120.0° |
| CA1 | N2 | C6 | 125.3° | 120.0° |
| CB1 | CA1 | HA1 | 107.2° | 109.5° |
| CA1 | CB1 | CG1 | 111.9° | 109.5° |
| CA1 | CB1 | HB21 | 108.7° | 109.5° |
| CA1 | CB1 | HB31 | 108.7° | 109.5° |
| H1 | N2 | C6 | 117.4° | 120.0° |
| CG1 | CB1 | HB21 | 108.7° | 109.4° |
| CG1 | CB1 | HB31 | 108.7° | 109.4° |
| CB1 | CG1 | CD11 | 121.3° | 120.0° |
| CB1 | CG1 | CD21 | 120.2° | 120.0° |
| HB21 | CB1 | HB31 | 110.2° | 109.5° |
| CD11 | CG1 | CD21 | 118.5° | 120.0° |
| CG1 | CD11 | CE11 | 120.8° | 120.0° |
| CG1 | CD11 | HD11 | 119.6° | 120.0° |
| CG1 | CD21 | CE21 | 122.0° | 120.0° |
| CG1 | CD21 | HD21 | 119.0° | 120.0° |
| CE11 | CD11 | HD11 | 119.6° | 120.1° |
| CD11 | CE11 | CZ1 | 119.5° | 120.0° |
| CD11 | CE11 | HE11 | 120.2° | 119.9° |
| CE21 | CD21 | HD21 | 119.0° | 120.0° |
| CD21 | CE21 | CZ1 | 118.4° | 120.0° |
| CD21 | CE21 | HE21 | 120.8° | 120.1° |
| CZ1 | CE11 | HE11 | 120.2° | 120.0° |
| CE11 | CZ1 | CE21 | 120.7° | 120.0° |
| CE11 | CZ1 | HZ1 | 119.7° | 120.0° |
| CZ1 | CE21 | HE21 | 120.8° | 120.0° |
| CE21 | CZ1 | HZ1 | 119.7° | 120.0° |
| O11 | C6 | O21 | 124.4° | 120.1° |
| O11 | C6 | N2 | 126.6° | 119.9° |
| C6 | O21 | CT1 | 121.5° | 117.0° |
| O21 | C6 | N2 | 109.0° | 120.0° |
| O21 | CT1 | C11 | 112.8° | 109.5° |
| O21 | CT1 | C22 | 108.7° | 109.5° |
| O21 | CT1 | C32 | 105.0° | 109.5° |
| C11 | CT1 | C22 | 109.2° | 109.4° |
| C11 | CT1 | C32 | 111.4° | 109.5° |
| CT1 | C11 | H111 | 109.5° | 109.5° |
| CT1 | C11 | H121 | 109.5° | 109.5° |
| CT1 | C11 | H131 | 109.4° | 109.5° |
| C22 | CT1 | C32 | 109.6° | 109.4° |
| CT1 | C22 | H211 | 109.5° | 109.5° |
| CT1 | C22 | H222 | 109.5° | 109.5° |
| CT1 | C22 | H232 | 109.5° | 109.5° |
| CT1 | C32 | H311 | 109.5° | 109.4° |
| CT1 | C32 | H322 | 109.5° | 109.5° |
| CT1 | C32 | H332 | 109.5° | 109.5° |
| H111 | C11 | H121 | 109.5° | 109.5° |
| H111 | C11 | H131 | 109.4° | 109.5° |
| H121 | C11 | H131 | 109.5° | 109.5° |
| H211 | C22 | H222 | 109.4° | 109.4° |
| H211 | C22 | H232 | 109.5° | 109.5° |
| H222 | C22 | H232 | 109.5° | 109.4° |
| H311 | C32 | H322 | 109.5° | 109.5° |
| H311 | C32 | H332 | 109.4° | 109.5° |
| H322 | C32 | H332 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | O2 | N | 175.4° | 179.7° |
| O1 | C | O2 | CT | 8.3° | 0.0° |
| O1 | C | N | CA | 4.0° | 0.0° |
| O1 | C | N | H | 176.0° | 180.0° |
| C | O2 | CT | C1 | 175.5° | 60.0° |
| C | O2 | CT | C2 | 58.5° | 180.0° |
| C | O2 | CT | C3 | 60.9° | 60.0° |
| O2 | C | N | CA | 179.0° | 179.7° |
| O2 | C | N | H | 1.0° | 0.3° |
| O2 | CT | C1 | C2 | 129.6° | 120.0° |
| O2 | CT | C1 | C3 | 115.8° | 120.0° |
| O2 | CT | C2 | C3 | 120.3° | 120.0° |
| O2 | CT | C1 | H11 | 180.0° | 60.0° |
| O2 | CT | C1 | H12 | 60.0° | 180.0° |
| O2 | CT | C1 | H13 | 60.0° | 60.0° |
| O2 | CT | C2 | H21 | 180.0° | 60.0° |
| O2 | CT | C2 | H22 | 60.0° | 180.0° |
| O2 | CT | C2 | H23 | 60.0° | 60.0° |
| O2 | CT | C3 | H31 | 180.0° | 60.0° |
| O2 | CT | C3 | H32 | 60.0° | 180.0° |
| O2 | CT | C3 | H33 | 60.0° | 60.0° |
| CT | O2 | C | N | 176.3° | 179.7° |
| C1 | CT | C2 | C3 | 114.6° | 120.0° |
| CT | C1 | H11 | H12 | 120.0° | 120.0° |
| CT | C1 | H11 | H13 | 120.0° | 120.0° |
| CT | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | CT | C2 | H21 | 54.9° | 180.0° |
| C1 | CT | C2 | H22 | 65.1° | 60.0° |
| C1 | CT | C2 | H23 | 174.9° | 60.0° |
| C1 | CT | C3 | H31 | 63.6° | 60.0° |
| C1 | CT | C3 | H32 | 176.4° | 60.1° |
| C1 | CT | C3 | H33 | 56.4° | 180.0° |
| C2 | CT | C1 | H11 | 50.4° | 60.0° |
| C2 | CT | C1 | H12 | 170.4° | 60.0° |
| C2 | CT | C1 | H13 | 69.6° | 180.0° |
| CT | C2 | H21 | H22 | 120.0° | 120.0° |
| CT | C2 | H21 | H23 | 120.0° | 120.0° |
| CT | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | CT | C3 | H31 | 54.0° | 180.0° |
| C2 | CT | C3 | H32 | 66.0° | 60.0° |
| C2 | CT | C3 | H33 | 174.1° | 60.0° |
| C3 | CT | C1 | H11 | 64.2° | 180.0° |
| C3 | CT | C1 | H12 | 55.8° | 60.0° |
| C3 | CT | C1 | H13 | 175.8° | 60.0° |
| C3 | CT | C2 | H21 | 59.7° | 60.0° |
| C3 | CT | C2 | H22 | 179.7° | 60.0° |
| C3 | CT | C2 | H23 | 60.3° | 180.0° |
| CT | C3 | H31 | H32 | 120.0° | 120.1° |
| CT | C3 | H31 | H33 | 120.0° | 120.0° |
| CT | C3 | H32 | H33 | 120.0° | 119.9° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| O | C4 | CA | HC | 119.3° | 120.0° |
| O | C4 | CA | C21 | 126.0° | 120.0° |
| O | C4 | HC | C21 | 122.8° | 120.0° |
| O | C4 | CA | N | 164.6° | 65.0° |
| O | C4 | CA | CB | 73.0° | 55.0° |
| O | C4 | CA | HA | 46.7° | 175.0° |
| O | C4 | C21 | N1 | 52.7° | 65.1° |
| O | C4 | C21 | H221 | 67.3° | 175.0° |
| O | C4 | C21 | H231 | 172.7° | 55.0° |
| CA | C4 | HC | C21 | 120.5° | 120.0° |
| CA | C4 | O | HO | 180.0° | 60.0° |
| C4 | CA | N | CB | 119.8° | 120.0° |
| C4 | CA | N | HA | 120.6° | 120.0° |
| C4 | CA | CB | HA | 120.7° | 120.0° |
| C4 | CA | N | H | 77.2° | 25.0° |
| C4 | CA | CB | CG | 161.7° | 175.0° |
| C4 | CA | CB | HB2 | 78.3° | 65.0° |
| C4 | CA | CB | HB3 | 41.7° | 55.0° |
| CA | C4 | C21 | N1 | 172.8° | 175.0° |
| CA | C4 | C21 | H221 | 52.8° | 55.0° |
| CA | C4 | C21 | H231 | 67.2° | 65.0° |
| C4 | CA | N | C | 102.8° | 155.0° |
| HC | C4 | O | HO | 58.4° | 180.0° |
| HC | C4 | CA | N | 76.1° | 55.0° |
| HC | C4 | CA | CB | 46.4° | 175.0° |
| HC | C4 | CA | HA | 166.1° | 65.0° |
| HC | C4 | C21 | N1 | 66.0° | 55.0° |
| HC | C4 | C21 | H221 | 174.0° | 64.9° |
| HC | C4 | C21 | H231 | 54.1° | 175.0° |
| HO | O | C4 | C21 | 56.1° | 60.0° |
| N | CA | CB | HA | 117.8° | 119.9° |
| CA | N | H | C | 180.0° | 180.0° |
| N | CA | CB | CG | 76.8° | 64.9° |
| N | CA | CB | HB2 | 43.2° | 55.0° |
| N | CA | CB | HB3 | 163.2° | 175.1° |
| N | CA | C4 | C21 | 38.6° | 175.0° |
| CB | CA | N | H | 42.6° | 95.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 121.0° | 120.0° |
| CA | CB | CG | CD1 | 89.8° | 90.0° |
| CA | CB | CG | CD2 | 89.6° | 90.3° |
| CB | CA | N | C | 137.4° | 85.0° |
| CB | CA | C4 | C21 | 161.1° | 65.0° |
| HA | CA | N | H | 162.1° | 145.0° |
| HA | CA | CB | CG | 41.0° | 55.0° |
| HA | CA | CB | HB2 | 161.0° | 174.9° |
| HA | CA | CB | HB3 | 79.0° | 65.0° |
| HA | CA | N | C | 17.8° | 35.0° |
| HA | CA | C4 | C21 | 79.2° | 55.0° |
| CG | CB | HB2 | HB3 | 121.0° | 120.0° |
| CB | CG | CD1 | CD2 | 179.4° | 179.8° |
| CB | CG | CD1 | CE1 | 177.5° | 180.0° |
| CB | CG | CD1 | HD1 | 2.4° | 0.0° |
| CB | CG | CD2 | CE2 | 179.0° | 180.0° |
| CB | CG | CD2 | HD2 | 0.9° | 0.0° |
| HB2 | CB | CG | CD1 | 30.2° | 30.0° |
| HB2 | CB | CG | CD2 | 150.4° | 149.8° |
| HB3 | CB | CG | CD1 | 150.2° | 150.0° |
| HB3 | CB | CG | CD2 | 30.4° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CG | CD1 | CE1 | CZ | 1.0° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.0° | 179.9° |
| CD2 | CG | CD1 | CE1 | 1.9° | 0.2° |
| CD2 | CG | CD1 | HD1 | 178.1° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 2.1° | 0.0° |
| CG | CD2 | CE2 | HE2 | 177.9° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 1.3° | 0.2° |
| CD1 | CE1 | CZ | HZ | 178.7° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.0° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 1.0° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 2.9° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | HZ | 177.0° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 177.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 2.1° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 177.1° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 178.7° | 179.9° |
| HE1 | CE1 | CZ | HZ | 1.3° | 0.0° |
| HE2 | CE2 | CZ | HZ | 3.0° | 0.1° |
| C21 | N1 | C31 | HN1 | 120.0° | 123.9° |
| N1 | C21 | H221 | H231 | 119.9° | 120.0° |
| N1 | C21 | H221 | C4 | 120.3° | 119.9° |
| N1 | C21 | H231 | C4 | 120.3° | 120.0° |
| C21 | N1 | C31 | H321 | 22.2° | 60.1° |
| C21 | N1 | C31 | H331 | 142.2° | 59.9° |
| C21 | N1 | C31 | C5 | 97.8° | 180.0° |
| C31 | N1 | C21 | H221 | 24.1° | 60.1° |
| C31 | N1 | C21 | H231 | 144.1° | 59.9° |
| N1 | C31 | H321 | H331 | 119.4° | 120.0° |
| N1 | C31 | H321 | C5 | 121.2° | 120.0° |
| N1 | C31 | H331 | C5 | 121.3° | 120.0° |
| N1 | C31 | C5 | O3 | 42.5° | 65.0° |
| N1 | C31 | C5 | CA1 | 164.9° | 175.0° |
| N1 | C31 | C5 | HC1 | 77.6° | 55.0° |
| C31 | N1 | C21 | C4 | 95.9° | 180.0° |
| HN1 | N1 | C21 | H221 | 144.1° | 176.0° |
| HN1 | N1 | C21 | H231 | 95.9° | 64.0° |
| HN1 | N1 | C31 | H321 | 97.9° | 176.0° |
| HN1 | N1 | C31 | H331 | 22.2° | 64.0° |
| HN1 | N1 | C21 | C4 | 24.1° | 56.1° |
| HN1 | N1 | C31 | C5 | 142.2° | 56.0° |
| H221 | C21 | H231 | C4 | 119.8° | 120.0° |
| H321 | C31 | H331 | C5 | 119.4° | 120.0° |
| H321 | C31 | C5 | O3 | 77.5° | 55.0° |
| H321 | C31 | C5 | CA1 | 44.9° | 65.0° |
| H321 | C31 | C5 | HC1 | 162.4° | 175.0° |
| H331 | C31 | C5 | O3 | 162.5° | 175.0° |
| H331 | C31 | C5 | CA1 | 75.1° | 55.0° |
| H331 | C31 | C5 | HC1 | 42.4° | 65.0° |
| O3 | C5 | CA1 | HC1 | 120.1° | 120.0° |
| O3 | C5 | CA1 | C31 | 117.8° | 120.0° |
| O3 | C5 | HC1 | C31 | 117.6° | 120.0° |
| O3 | C5 | CA1 | N2 | 156.1° | 65.1° |
| O3 | C5 | CA1 | CB1 | 77.0° | 55.0° |
| O3 | C5 | CA1 | HA1 | 40.4° | 175.0° |
| CA1 | C5 | HC1 | C31 | 120.2° | 120.0° |
| CA1 | C5 | O3 | HO1 | 180.0° | 60.0° |
| C5 | CA1 | N2 | CB1 | 124.3° | 120.0° |
| C5 | CA1 | N2 | HA1 | 118.8° | 120.0° |
| C5 | CA1 | CB1 | HA1 | 119.0° | 120.0° |
| C5 | CA1 | N2 | H1 | 80.9° | 25.1° |
| C5 | CA1 | CB1 | CG1 | 166.9° | 175.0° |
| C5 | CA1 | CB1 | HB21 | 73.1° | 65.0° |
| C5 | CA1 | CB1 | HB31 | 46.9° | 55.0° |
| C5 | CA1 | N2 | C6 | 99.1° | 155.0° |
| HC1 | C5 | O3 | HO1 | 62.6° | 180.0° |
| HC1 | C5 | CA1 | N2 | 83.8° | 54.9° |
| HC1 | C5 | CA1 | CB1 | 43.1° | 175.0° |
| HC1 | C5 | CA1 | HA1 | 160.4° | 65.0° |
| HO1 | O3 | C5 | C31 | 59.6° | 60.0° |
| N2 | CA1 | CB1 | HA1 | 115.5° | 120.0° |
| CA1 | N2 | H1 | C6 | 180.0° | 179.9° |
| N2 | CA1 | CB1 | CG1 | 67.6° | 65.0° |
| N2 | CA1 | CB1 | HB21 | 52.4° | 55.0° |
| N2 | CA1 | CB1 | HB31 | 172.4° | 175.0° |
| CA1 | N2 | C6 | O11 | 1.7° | 0.1° |
| CA1 | N2 | C6 | O21 | 176.2° | 180.0° |
| N2 | CA1 | C5 | C31 | 38.3° | 175.0° |
| CB1 | CA1 | N2 | H1 | 43.5° | 94.9° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.1° |
| CA1 | CB1 | CG1 | HB31 | 120.0° | 120.0° |
| CA1 | CB1 | HB21 | HB31 | 119.0° | 120.1° |
| CA1 | CB1 | CG1 | CD11 | 119.7° | 90.0° |
| CA1 | CB1 | CG1 | CD21 | 61.7° | 90.2° |
| CB1 | CA1 | C5 | C31 | 165.2° | 65.0° |
| CB1 | CA1 | N2 | C6 | 136.5° | 85.0° |
| HA1 | CA1 | N2 | H1 | 160.3° | 145.0° |
| HA1 | CA1 | CB1 | CG1 | 47.9° | 55.0° |
| HA1 | CA1 | CB1 | HB21 | 167.9° | 175.0° |
| HA1 | CA1 | CB1 | HB31 | 72.1° | 65.0° |
| HA1 | CA1 | C5 | C31 | 77.4° | 55.1° |
| HA1 | CA1 | N2 | C6 | 19.7° | 35.1° |
| H1 | N2 | C6 | O11 | 178.3° | 180.0° |
| H1 | N2 | C6 | O21 | 3.8° | 0.1° |
| CG1 | CB1 | HB21 | HB31 | 119.0° | 119.9° |
| CB1 | CG1 | CD11 | CD21 | 178.6° | 179.8° |
| CB1 | CG1 | CD11 | CE11 | 177.7° | 180.0° |
| CB1 | CG1 | CD11 | HD11 | 2.3° | 0.1° |
| CB1 | CG1 | CD21 | CE21 | 177.1° | 180.0° |
| CB1 | CG1 | CD21 | HD21 | 2.9° | 0.1° |
| HB21 | CB1 | CG1 | CD11 | 0.3° | 30.1° |
| HB21 | CB1 | CG1 | CD21 | 178.3° | 149.7° |
| HB31 | CB1 | CG1 | CD11 | 120.3° | 150.0° |
| HB31 | CB1 | CG1 | CD21 | 58.4° | 29.8° |
| CG1 | CD11 | CE11 | HD11 | 180.0° | 179.9° |
| CD11 | CG1 | CD21 | CE21 | 4.3° | 0.2° |
| CD11 | CG1 | CD21 | HD21 | 175.7° | 179.7° |
| CG1 | CD11 | CE11 | CZ1 | 0.6° | 0.0° |
| CG1 | CD11 | CE11 | HE11 | 179.4° | 180.0° |
| CD21 | CG1 | CD11 | CE11 | 3.6° | 0.2° |
| CD21 | CG1 | CD11 | HD11 | 176.4° | 179.7° |
| CG1 | CD21 | CE21 | HD21 | 180.0° | 179.9° |
| CG1 | CD21 | CE21 | CZ1 | 1.8° | 0.0° |
| CG1 | CD21 | CE21 | HE21 | 178.2° | 180.0° |
| CD11 | CE11 | CZ1 | HE11 | 180.0° | 180.0° |
| CD11 | CE11 | CZ1 | CE21 | 2.0° | 0.2° |
| CD11 | CE11 | CZ1 | HZ1 | 178.0° | 179.9° |
| HD11 | CD11 | CE11 | CZ1 | 179.4° | 179.9° |
| HD11 | CD11 | CE11 | HE11 | 0.5° | 0.1° |
| CD21 | CE21 | CZ1 | CE11 | 1.4° | 0.2° |
| CD21 | CE21 | CZ1 | HE21 | 180.0° | 180.0° |
| CD21 | CE21 | CZ1 | HZ1 | 178.6° | 179.9° |
| HD21 | CD21 | CE21 | CZ1 | 178.2° | 180.0° |
| HD21 | CD21 | CE21 | HE21 | 1.8° | 0.1° |
| CE11 | CZ1 | CE21 | HZ1 | 180.0° | 179.8° |
| CE11 | CZ1 | CE21 | HE21 | 178.6° | 179.8° |
| HE11 | CE11 | CZ1 | CE21 | 178.0° | 179.8° |
| HE11 | CE11 | CZ1 | HZ1 | 2.0° | 0.0° |
| HE21 | CE21 | CZ1 | HZ1 | 1.4° | 0.0° |
| O11 | C6 | O21 | N2 | 177.9° | 180.0° |
| O11 | C6 | O21 | CT1 | 7.8° | 0.0° |
| C6 | O21 | CT1 | C11 | 59.5° | 60.0° |
| C6 | O21 | CT1 | C22 | 61.8° | 180.0° |
| C6 | O21 | CT1 | C32 | 179.1° | 60.1° |
| O21 | CT1 | C11 | C22 | 121.0° | 120.0° |
| O21 | CT1 | C11 | C32 | 117.8° | 120.1° |
| O21 | CT1 | C22 | C32 | 114.3° | 120.0° |
| O21 | CT1 | C11 | H111 | 180.0° | 60.0° |
| O21 | CT1 | C11 | H121 | 60.0° | 180.0° |
| O21 | CT1 | C11 | H131 | 60.0° | 60.0° |
| O21 | CT1 | C22 | H211 | 180.0° | 60.0° |
| O21 | CT1 | C22 | H222 | 60.0° | 180.0° |
| O21 | CT1 | C22 | H232 | 60.0° | 60.0° |
| O21 | CT1 | C32 | H311 | 180.0° | 60.1° |
| O21 | CT1 | C32 | H322 | 60.0° | 180.0° |
| O21 | CT1 | C32 | H332 | 60.0° | 59.9° |
| CT1 | O21 | C6 | N2 | 170.1° | 179.9° |
| C11 | CT1 | C22 | C32 | 122.3° | 120.0° |
| CT1 | C11 | H111 | H121 | 120.0° | 120.0° |
| CT1 | C11 | H111 | H131 | 120.0° | 120.0° |
| CT1 | C11 | H121 | H131 | 120.0° | 120.0° |
| C11 | CT1 | C22 | H211 | 56.6° | 180.0° |
| C11 | CT1 | C22 | H222 | 176.6° | 60.0° |
| C11 | CT1 | C22 | H232 | 63.4° | 60.0° |
| C11 | CT1 | C32 | H311 | 57.6° | 60.0° |
| C11 | CT1 | C32 | H322 | 62.4° | 60.0° |
| C11 | CT1 | C32 | H332 | 177.6° | 180.0° |
| C22 | CT1 | C11 | H111 | 59.0° | 60.0° |
| C22 | CT1 | C11 | H121 | 61.0° | 60.0° |
| C22 | CT1 | C11 | H131 | 179.0° | 180.0° |
| CT1 | C22 | H211 | H222 | 120.0° | 120.1° |
| CT1 | C22 | H211 | H232 | 120.0° | 120.0° |
| CT1 | C22 | H222 | H232 | 120.0° | 120.0° |
| C22 | CT1 | C32 | H311 | 63.4° | 180.0° |
| C22 | CT1 | C32 | H322 | 176.6° | 60.0° |
| C22 | CT1 | C32 | H332 | 56.6° | 60.1° |
| C32 | CT1 | C11 | H111 | 62.2° | 180.0° |
| C32 | CT1 | C11 | H121 | 177.8° | 59.9° |
| C32 | CT1 | C11 | H131 | 57.8° | 60.0° |
| C32 | CT1 | C22 | H211 | 65.7° | 60.0° |
| C32 | CT1 | C22 | H222 | 54.3° | 60.0° |
| C32 | CT1 | C22 | H232 | 174.3° | 180.0° |
| CT1 | C32 | H311 | H322 | 120.0° | 120.0° |
| CT1 | C32 | H311 | H332 | 120.0° | 120.0° |
| CT1 | C32 | H322 | H332 | 120.0° | 120.0° |
| H111 | C11 | H121 | H131 | 120.0° | 120.0° |
| H211 | C22 | H222 | H232 | 120.0° | 120.0° |
| H311 | C32 | H322 | H332 | 120.0° | 120.0° |
