0QF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| O1 | C6 | sing | 1.43Å | 1.79Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.47Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | S | sing | 1.66Å | 1.72Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| S | O1S | doub | 1.42Å | 1.44Å | |
| S | O2S | doub | 1.42Å | 1.44Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | 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 | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| N1 | CA1 | sing | 1.46Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C1 | sing | 1.51Å | 1.53Å | |
| CA1 | S1 | sing | 1.81Å | 1.86Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| S1 | C11 | sing | 1.81Å | 1.86Å | |
| C11 | C21 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | N2 | sing | 1.46Å | 1.47Å | |
| C12 | C22 | sing | 1.53Å | 1.54Å | |
| C12 | C7' | sing | 1.53Å | 1.54Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | HN1 | sing | 0.97Å | 1.00Å | |
| C22 | O21 | sing | 1.43Å | 1.42Å | |
| C22 | C31 | sing | 1.53Å | 1.53Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| O21 | HO2 | sing | 0.97Å | 0.95Å | |
| C31 | O3 | sing | 1.43Å | 1.53Å | |
| C31 | C4 | sing | 1.53Å | 1.53Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C51 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C51 | C61 | sing | 1.53Å | 1.53Å | |
| C51 | C7 | sing | 1.53Å | 1.53Å | |
| C51 | H5 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H621 | sing | 1.09Å | 1.10Å | |
| C61 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C7' | C1' | sing | 1.53Å | 1.54Å | |
| C7' | H7'1 | sing | 1.09Å | 1.10Å | |
| C7' | H7'2 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | C6' | sing | 1.53Å | 1.41Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.53Å | 1.54Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C6' | C5' | sing | 1.53Å | 1.53Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C3' | H3'1 | sing | 1.09Å | 1.10Å | |
| C3' | H3'2 | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | H4'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4'2 | sing | 1.09Å | 1.10Å | |
| S | N | sing | 1.66Å | 1.32Å | |
| C | N1 | sing | 1.35Å | 1.31Å | |
| C1 | N2 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C6 | 128.2° | 114.1° |
| O1 | C2 | C3 | 112.2° | 109.2° |
| O1 | C2 | H21 | 108.6° | 109.5° |
| O1 | C2 | H22 | 108.6° | 109.5° |
| O1 | C6 | C5 | 106.0° | 109.2° |
| O1 | C6 | H61 | 110.7° | 109.5° |
| O1 | C6 | H62 | 110.6° | 109.5° |
| C3 | C2 | H21 | 108.6° | 109.5° |
| C3 | C2 | H22 | 108.6° | 109.5° |
| C2 | C3 | N4 | 109.5° | 108.4° |
| C2 | C3 | H31 | 109.5° | 109.7° |
| C2 | C3 | H32 | 109.5° | 109.7° |
| H21 | C2 | H22 | 110.3° | 109.6° |
| N4 | C3 | H31 | 109.5° | 109.7° |
| N4 | C3 | H32 | 109.5° | 109.7° |
| C3 | N4 | C5 | 120.0° | 118.0° |
| C3 | N4 | S | 120.0° | 121.0° |
| H31 | C3 | H32 | 109.5° | 109.7° |
| C5 | N4 | S | 120.0° | 121.0° |
| N4 | C5 | C6 | 109.4° | 108.4° |
| N4 | C5 | H51 | 109.5° | 109.7° |
| N4 | C5 | H52 | 109.5° | 109.7° |
| N4 | S | O1S | 106.8° | 106.4° |
| N4 | S | O2S | 120.7° | 106.4° |
| N4 | S | N | 112.8° | 107.2° |
| C6 | C5 | H51 | 109.5° | 109.7° |
| C6 | C5 | H52 | 109.5° | 109.6° |
| C5 | C6 | H61 | 110.6° | 109.5° |
| C5 | C6 | H62 | 110.6° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.7° |
| H61 | C6 | H62 | 108.3° | 109.5° |
| O1S | S | O2S | 104.8° | 123.2° |
| O1S | S | N | 113.7° | 106.4° |
| O2S | S | N | 98.0° | 106.4° |
| CA | N | H | 105.3° | 120.1° |
| N | CA | C | 110.3° | 109.4° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 107.9° | 109.5° |
| CA | N | S | 122.5° | 120.0° |
| H | N | S | 105.3° | 120.0° |
| C | CA | CB | 108.1° | 109.5° |
| C | CA | HA | 110.0° | 109.5° |
| CA | C | O | 120.8° | 120.0° |
| CA | C | N1 | 113.7° | 120.0° |
| CB | CA | HA | 110.2° | 109.5° |
| CA | CB | CG | 110.8° | 109.4° |
| CA | CB | HB2 | 109.0° | 109.5° |
| CA | CB | HB3 | 109.0° | 109.5° |
| O | C | N1 | 125.4° | 119.9° |
| CG | CB | HB2 | 109.0° | 109.5° |
| CG | CB | HB3 | 109.0° | 109.4° |
| CB | CG | CD1 | 119.0° | 120.0° |
| CB | CG | CD2 | 119.5° | 120.0° |
| HB2 | CB | HB3 | 109.9° | 109.6° |
| CD1 | CG | CD2 | 121.5° | 120.0° |
| CG | CD1 | CE1 | 119.5° | 120.0° |
| CG | CD1 | HD1 | 120.2° | 119.9° |
| CG | CD2 | CE2 | 119.1° | 120.0° |
| CG | CD2 | HD2 | 120.4° | 120.0° |
| CE1 | CD1 | HD1 | 120.2° | 120.0° |
| CD1 | CE1 | CZ | 119.7° | 120.0° |
| CD1 | CE1 | HE1 | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 120.5° | 120.0° |
| CD2 | CE2 | CZ | 119.8° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| CE1 | CZ | CE2 | 120.3° | 120.0° |
| CE1 | CZ | HZ | 119.9° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CZ | HZ | 119.8° | 120.0° |
| CA1 | N1 | H1 | 118.9° | 120.0° |
| N1 | CA1 | C1 | 109.4° | 109.5° |
| N1 | CA1 | S1 | 113.1° | 109.5° |
| N1 | CA1 | HA1 | 106.7° | 109.5° |
| CA1 | N1 | C | 122.1° | 120.0° |
| H1 | N1 | C | 118.9° | 120.0° |
| C1 | CA1 | S1 | 108.4° | 109.5° |
| C1 | CA1 | HA1 | 111.5° | 109.5° |
| CA1 | C1 | O2 | 121.1° | 120.0° |
| CA1 | C1 | N2 | 114.5° | 120.0° |
| S1 | CA1 | HA1 | 107.7° | 109.4° |
| CA1 | S1 | C11 | 112.9° | 103.0° |
| O2 | C1 | N2 | 124.4° | 120.0° |
| S1 | C11 | C21 | 113.1° | 109.5° |
| S1 | C11 | H11 | 108.3° | 109.5° |
| S1 | C11 | H12 | 108.3° | 109.5° |
| C21 | C11 | H11 | 108.3° | 109.5° |
| C21 | C11 | H12 | 108.3° | 109.4° |
| C11 | C21 | H211 | 109.5° | 109.5° |
| C11 | C21 | H221 | 109.5° | 109.5° |
| C11 | C21 | H23 | 109.4° | 109.4° |
| H11 | C11 | H12 | 110.6° | 109.5° |
| H211 | C21 | H221 | 109.4° | 109.5° |
| H211 | C21 | H23 | 109.5° | 109.4° |
| H221 | C21 | H23 | 109.5° | 109.5° |
| N2 | C12 | C22 | 109.7° | 109.5° |
| N2 | C12 | C7' | 110.2° | 109.5° |
| N2 | C12 | H13 | 109.0° | 109.5° |
| C12 | N2 | HN1 | 118.8° | 120.0° |
| C12 | N2 | C1 | 122.5° | 120.0° |
| C22 | C12 | C7' | 110.0° | 109.5° |
| C22 | C12 | H13 | 109.2° | 109.5° |
| C12 | C22 | O21 | 110.0° | 109.5° |
| C12 | C22 | C31 | 109.3° | 109.5° |
| C12 | C22 | H2 | 109.2° | 109.5° |
| C7' | C12 | H13 | 108.7° | 109.4° |
| C12 | C7' | C1' | 113.6° | 109.5° |
| C12 | C7' | H7'1 | 108.1° | 109.5° |
| C12 | C7' | H7'2 | 108.1° | 109.5° |
| HN1 | N2 | C1 | 118.8° | 120.0° |
| O21 | C22 | C31 | 109.4° | 109.5° |
| O21 | C22 | H2 | 109.1° | 109.5° |
| C22 | O21 | HO2 | 109.5° | 114.0° |
| C31 | C22 | H2 | 109.8° | 109.5° |
| C22 | C31 | O3 | 109.9° | 109.5° |
| C22 | C31 | C4 | 111.2° | 109.5° |
| C22 | C31 | H3 | 107.6° | 109.5° |
| O3 | C31 | C4 | 108.3° | 109.4° |
| O3 | C31 | H3 | 110.5° | 109.5° |
| C31 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C31 | H3 | 109.3° | 109.4° |
| C31 | C4 | C51 | 109.5° | 109.5° |
| C31 | C4 | H41 | 109.4° | 109.5° |
| C31 | C4 | H42 | 109.5° | 109.5° |
| C51 | C4 | H41 | 109.4° | 109.4° |
| C51 | C4 | H42 | 109.5° | 109.5° |
| C4 | C51 | C61 | 110.0° | 109.5° |
| C4 | C51 | C7 | 110.3° | 109.4° |
| C4 | C51 | H5 | 108.4° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| C61 | C51 | C7 | 108.8° | 109.5° |
| C61 | C51 | H5 | 109.8° | 109.5° |
| C51 | C61 | H611 | 109.5° | 109.5° |
| C51 | C61 | H621 | 109.5° | 109.4° |
| C51 | C61 | H63 | 109.5° | 109.4° |
| C7 | C51 | H5 | 109.6° | 109.4° |
| C51 | C7 | H71 | 109.5° | 109.5° |
| C51 | C7 | H72 | 109.5° | 109.5° |
| C51 | C7 | H73 | 109.5° | 109.5° |
| H611 | C61 | H621 | 109.4° | 109.5° |
| H611 | C61 | H63 | 109.5° | 109.5° |
| H621 | C61 | H63 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.4° |
| C1' | C7' | H7'1 | 108.1° | 109.5° |
| C1' | C7' | H7'2 | 108.1° | 109.5° |
| C7' | C1' | C2' | 110.4° | 109.5° |
| C7' | C1' | C6' | 109.9° | 109.5° |
| C7' | C1' | H1' | 108.4° | 109.5° |
| H7'1 | C7' | H7'2 | 110.8° | 109.5° |
| C2' | C1' | C6' | 108.9° | 109.4° |
| C2' | C1' | H1' | 109.4° | 109.5° |
| C1' | C2' | C3' | 110.3° | 109.4° |
| C1' | C2' | H2'1 | 109.2° | 109.5° |
| C1' | C2' | H2'2 | 109.2° | 109.4° |
| C6' | C1' | H1' | 109.9° | 109.5° |
| C1' | C6' | C5' | 110.5° | 109.5° |
| C1' | C6' | H6'1 | 109.1° | 109.5° |
| C1' | C6' | H6'2 | 109.1° | 109.5° |
| C3' | C2' | H2'1 | 109.2° | 109.5° |
| C3' | C2' | H2'2 | 109.2° | 109.5° |
| C2' | C3' | C4' | 109.9° | 109.5° |
| C2' | C3' | H3'1 | 109.3° | 109.4° |
| C2' | C3' | H3'2 | 109.3° | 109.5° |
| H2'1 | C2' | H2'2 | 109.8° | 109.5° |
| C5' | C6' | H6'1 | 109.1° | 109.5° |
| C5' | C6' | H6'2 | 109.1° | 109.4° |
| C6' | C5' | C4' | 110.1° | 109.5° |
| C6' | C5' | H5'1 | 109.2° | 109.4° |
| C6' | C5' | H5'2 | 109.3° | 109.5° |
| H6'1 | C6' | H6'2 | 109.8° | 109.4° |
| C4' | C3' | H3'1 | 109.3° | 109.5° |
| C4' | C3' | H3'2 | 109.3° | 109.5° |
| C3' | C4' | C5' | 109.6° | 109.5° |
| C3' | C4' | H4'1 | 109.4° | 109.5° |
| C3' | C4' | H4'2 | 109.4° | 109.5° |
| H3'1 | C3' | H3'2 | 109.7° | 109.5° |
| C4' | C5' | H5'1 | 109.3° | 109.5° |
| C4' | C5' | H5'2 | 109.3° | 109.5° |
| C5' | C4' | H4'1 | 109.4° | 109.5° |
| C5' | C4' | H4'2 | 109.4° | 109.4° |
| H5'1 | C5' | H5'2 | 109.7° | 109.5° |
| H4'1 | C4' | H4'2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 120.0° | 119.9° |
| O1 | C2 | C3 | H22 | 120.0° | 119.9° |
| O1 | C2 | H21 | H22 | 118.9° | 120.1° |
| O1 | C2 | C3 | N4 | 24.8° | 52.3° |
| O1 | C2 | C3 | H31 | 95.2° | 172.0° |
| O1 | C2 | C3 | H32 | 144.8° | 67.4° |
| C2 | O1 | C6 | C5 | 6.3° | 62.6° |
| C2 | O1 | C6 | H61 | 126.3° | 177.5° |
| C2 | O1 | C6 | H62 | 113.6° | 57.3° |
| C6 | O1 | C2 | C3 | 6.6° | 62.6° |
| C6 | O1 | C2 | H21 | 113.5° | 57.4° |
| C6 | O1 | C2 | H22 | 126.6° | 177.5° |
| O1 | C6 | C5 | N4 | 25.5° | 52.3° |
| O1 | C6 | C5 | H61 | 120.0° | 119.9° |
| O1 | C6 | C5 | H62 | 120.0° | 119.9° |
| O1 | C6 | C5 | H51 | 94.5° | 172.0° |
| O1 | C6 | C5 | H52 | 145.4° | 67.4° |
| O1 | C6 | H61 | H62 | 121.4° | 120.1° |
| C3 | C2 | H21 | H22 | 118.9° | 120.2° |
| C2 | C3 | N4 | H31 | 120.0° | 119.7° |
| C2 | C3 | N4 | H32 | 120.0° | 119.8° |
| C2 | C3 | H31 | H32 | 120.0° | 120.5° |
| C2 | C3 | N4 | C5 | 68.6° | 50.6° |
| C2 | C3 | N4 | S | 111.4° | 129.4° |
| H21 | C2 | C3 | N4 | 144.8° | 67.6° |
| H21 | C2 | C3 | H31 | 24.8° | 52.1° |
| H21 | C2 | C3 | H32 | 95.2° | 172.6° |
| H22 | C2 | C3 | N4 | 95.2° | 172.2° |
| H22 | C2 | C3 | H31 | 144.8° | 68.1° |
| H22 | C2 | C3 | H32 | 24.8° | 52.4° |
| N4 | C3 | H31 | H32 | 120.0° | 120.5° |
| C3 | N4 | C5 | S | 179.9° | 180.0° |
| C3 | N4 | C5 | C6 | 68.6° | 50.5° |
| C3 | N4 | C5 | H51 | 51.4° | 170.2° |
| C3 | N4 | C5 | H52 | 171.4° | 69.1° |
| C3 | N4 | S | O1S | 103.2° | 156.5° |
| C3 | N4 | S | O2S | 16.1° | 23.6° |
| C3 | N4 | S | N | 131.2° | 90.0° |
| H31 | C3 | N4 | C5 | 51.3° | 170.3° |
| H31 | C3 | N4 | S | 128.6° | 9.7° |
| H32 | C3 | N4 | C5 | 171.4° | 69.2° |
| H32 | C3 | N4 | S | 8.5° | 110.8° |
| N4 | C5 | C6 | H51 | 120.0° | 119.7° |
| N4 | C5 | C6 | H52 | 120.0° | 119.7° |
| N4 | C5 | H51 | H52 | 120.0° | 120.6° |
| N4 | C5 | C6 | H61 | 94.5° | 172.3° |
| N4 | C5 | C6 | H62 | 145.4° | 67.6° |
| C5 | N4 | S | O1S | 76.9° | 23.6° |
| C5 | N4 | S | O2S | 163.8° | 156.4° |
| C5 | N4 | S | N | 48.7° | 90.0° |
| S | N4 | C5 | C6 | 111.5° | 129.5° |
| S | N4 | C5 | H51 | 128.5° | 9.8° |
| S | N4 | C5 | H52 | 8.5° | 110.8° |
| N4 | S | O1S | O2S | 129.1° | 122.9° |
| N4 | S | O1S | N | 125.0° | 114.1° |
| N4 | S | O2S | N | 122.5° | 114.1° |
| N4 | S | N | CA | 156.9° | 65.0° |
| N4 | S | N | H | 83.1° | 115.0° |
| C6 | C5 | H51 | H52 | 120.0° | 120.5° |
| C5 | C6 | H61 | H62 | 121.4° | 120.1° |
| H51 | C5 | C6 | H61 | 145.5° | 68.0° |
| H51 | C5 | C6 | H62 | 25.4° | 52.1° |
| H52 | C5 | C6 | H61 | 25.4° | 52.5° |
| H52 | C5 | C6 | H62 | 94.6° | 172.7° |
| O1S | S | O2S | N | 117.2° | 123.0° |
| O1S | S | N | CA | 35.2° | 48.5° |
| O1S | S | N | H | 155.1° | 131.5° |
| O2S | S | N | CA | 74.9° | 178.5° |
| O2S | S | N | H | 45.1° | 1.5° |
| CA | N | H | S | 130.7° | 180.0° |
| N | CA | C | CB | 120.5° | 120.0° |
| N | CA | C | HA | 119.0° | 120.0° |
| N | CA | CB | HA | 119.0° | 120.0° |
| N | CA | C | O | 37.7° | 0.0° |
| N | CA | CB | CG | 88.9° | 65.0° |
| N | CA | CB | HB2 | 31.1° | 54.9° |
| N | CA | CB | HB3 | 151.1° | 175.0° |
| N | CA | C | N1 | 142.4° | 180.0° |
| H | N | CA | C | 17.2° | 35.0° |
| H | N | CA | CB | 102.1° | 84.9° |
| H | N | CA | HA | 137.4° | 155.0° |
| C | CA | CB | HA | 120.3° | 120.0° |
| CA | C | O | N1 | 179.8° | 180.0° |
| C | CA | CB | CG | 150.4° | 175.0° |
| C | CA | CB | HB2 | 89.5° | 65.1° |
| C | CA | CB | HB3 | 30.4° | 55.1° |
| CA | C | N1 | CA1 | 178.7° | 174.9° |
| CA | C | N1 | H1 | 1.3° | 5.1° |
| C | CA | N | S | 102.8° | 145.0° |
| CB | CA | C | O | 82.8° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 119.9° |
| CA | CB | HB2 | HB3 | 119.4° | 120.0° |
| CA | CB | CG | CD1 | 55.4° | 90.0° |
| CA | CB | CG | CD2 | 123.8° | 90.3° |
| CB | CA | N | S | 137.9° | 95.0° |
| CB | CA | C | N1 | 97.1° | 60.0° |
| HA | CA | C | O | 156.8° | 120.0° |
| HA | CA | CB | CG | 30.1° | 55.0° |
| HA | CA | CB | HB2 | 150.1° | 174.9° |
| HA | CA | CB | HB3 | 89.9° | 64.9° |
| HA | CA | N | S | 17.5° | 25.0° |
| HA | CA | C | N1 | 23.4° | 60.0° |
| O | C | N1 | CA1 | 1.1° | 5.1° |
| O | C | N1 | H1 | 178.9° | 174.9° |
| CG | CB | HB2 | HB3 | 119.4° | 120.0° |
| CB | CG | CD1 | CD2 | 179.2° | 179.7° |
| CB | CG | CD1 | CE1 | 179.2° | 180.0° |
| CB | CG | CD1 | HD1 | 0.8° | 0.0° |
| CB | CG | CD2 | CE2 | 179.1° | 179.9° |
| CB | CG | CD2 | HD2 | 0.9° | 0.0° |
| HB2 | CB | CG | CD1 | 175.4° | 29.9° |
| HB2 | CB | CG | CD2 | 3.8° | 149.8° |
| HB3 | CB | CG | CD1 | 64.6° | 150.0° |
| HB3 | CB | CG | CD2 | 116.1° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.8° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.3° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.3° |
| CD1 | CE1 | CZ | HZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 179.7° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.1° | 0.0° |
| CA1 | N1 | H1 | C | 180.0° | 180.0° |
| N1 | CA1 | C1 | S1 | 123.8° | 120.0° |
| N1 | CA1 | C1 | HA1 | 117.8° | 120.0° |
| N1 | CA1 | S1 | HA1 | 117.6° | 120.0° |
| N1 | CA1 | C1 | O2 | 88.8° | 115.4° |
| N1 | CA1 | S1 | C11 | 79.7° | 105.6° |
| N1 | CA1 | C1 | N2 | 91.0° | 64.6° |
| H1 | N1 | CA1 | C1 | 30.6° | 44.6° |
| H1 | N1 | CA1 | S1 | 90.3° | 75.4° |
| H1 | N1 | CA1 | HA1 | 151.4° | 164.6° |
| C1 | CA1 | S1 | HA1 | 120.8° | 120.0° |
| CA1 | C1 | O2 | N2 | 179.8° | 180.0° |
| C1 | CA1 | S1 | C11 | 158.8° | 134.3° |
| CA1 | C1 | N2 | C12 | 179.7° | 175.7° |
| CA1 | C1 | N2 | HN1 | 0.3° | 4.3° |
| C1 | CA1 | N1 | C | 149.4° | 135.4° |
| S1 | CA1 | C1 | O2 | 35.0° | 124.6° |
| CA1 | S1 | C11 | C21 | 143.8° | 175.0° |
| CA1 | S1 | C11 | H11 | 23.8° | 55.0° |
| CA1 | S1 | C11 | H12 | 96.2° | 65.1° |
| S1 | CA1 | N1 | C | 89.6° | 104.6° |
| S1 | CA1 | C1 | N2 | 145.2° | 55.4° |
| HA1 | CA1 | C1 | O2 | 153.4° | 4.6° |
| HA1 | CA1 | S1 | C11 | 37.9° | 14.3° |
| HA1 | CA1 | N1 | C | 28.6° | 15.3° |
| HA1 | CA1 | C1 | N2 | 26.8° | 175.4° |
| O2 | C1 | N2 | C12 | 0.6° | 4.3° |
| O2 | C1 | N2 | HN1 | 179.5° | 175.7° |
| S1 | C11 | C21 | H11 | 120.0° | 120.0° |
| S1 | C11 | C21 | H12 | 120.0° | 120.0° |
| S1 | C11 | H11 | H12 | 118.6° | 120.0° |
| S1 | C11 | C21 | H211 | 180.0° | 180.0° |
| S1 | C11 | C21 | H221 | 60.0° | 60.0° |
| S1 | C11 | C21 | H23 | 60.0° | 60.0° |
| C21 | C11 | H11 | H12 | 118.5° | 120.0° |
| C11 | C21 | H211 | H221 | 120.0° | 120.1° |
| C11 | C21 | H211 | H23 | 120.0° | 119.9° |
| C11 | C21 | H221 | H23 | 120.0° | 119.9° |
| H11 | C11 | C21 | H211 | 60.0° | 60.0° |
| H11 | C11 | C21 | H221 | 180.0° | 180.0° |
| H11 | C11 | C21 | H23 | 60.0° | 60.0° |
| H12 | C11 | C21 | H211 | 60.0° | 60.1° |
| H12 | C11 | C21 | H221 | 60.0° | 60.0° |
| H12 | C11 | C21 | H23 | 180.0° | 180.0° |
| H211 | C21 | H221 | H23 | 120.0° | 120.0° |
| N2 | C12 | C22 | C7' | 121.4° | 120.0° |
| N2 | C12 | C22 | H13 | 119.4° | 120.0° |
| N2 | C12 | C7' | H13 | 119.4° | 120.0° |
| C12 | N2 | HN1 | C1 | 180.0° | 180.0° |
| N2 | C12 | C22 | O21 | 60.8° | 60.0° |
| N2 | C12 | C22 | C31 | 59.4° | 60.0° |
| N2 | C12 | C22 | H2 | 179.6° | 180.0° |
| N2 | C12 | C7' | C1' | 55.3° | 63.6° |
| N2 | C12 | C7' | H7'1 | 64.7° | 56.4° |
| N2 | C12 | C7' | H7'2 | 175.3° | 176.4° |
| C22 | C12 | C7' | H13 | 119.5° | 120.0° |
| C22 | C12 | N2 | HN1 | 70.9° | 95.0° |
| C12 | C22 | O21 | C31 | 120.1° | 120.0° |
| C12 | C22 | O21 | H2 | 119.7° | 120.0° |
| C12 | C22 | C31 | H2 | 119.7° | 120.0° |
| C12 | C22 | O21 | HO2 | 180.0° | 60.0° |
| C12 | C22 | C31 | O3 | 64.6° | 60.0° |
| C12 | C22 | C31 | C4 | 175.4° | 180.0° |
| C12 | C22 | C31 | H3 | 55.8° | 60.0° |
| C22 | C12 | C7' | C1' | 176.5° | 176.4° |
| C22 | C12 | C7' | H7'1 | 56.5° | 63.6° |
| C22 | C12 | C7' | H7'2 | 63.5° | 56.4° |
| C22 | C12 | N2 | C1 | 109.1° | 85.0° |
| C7' | C12 | N2 | HN1 | 50.5° | 25.0° |
| C7' | C12 | C22 | O21 | 60.6° | 60.0° |
| C7' | C12 | C22 | C31 | 179.2° | 180.0° |
| C7' | C12 | C22 | H2 | 59.0° | 60.0° |
| C12 | C7' | C1' | H7'1 | 120.0° | 120.0° |
| C12 | C7' | C1' | H7'2 | 120.0° | 120.0° |
| C12 | C7' | H7'1 | H7'2 | 118.3° | 120.0° |
| C12 | C7' | C1' | C2' | 60.9° | 66.0° |
| C12 | C7' | C1' | C6' | 179.0° | 174.0° |
| C12 | C7' | C1' | H1' | 58.9° | 54.0° |
| C7' | C12 | N2 | C1 | 129.6° | 155.0° |
| H13 | C12 | N2 | HN1 | 169.7° | 145.0° |
| H13 | C12 | C22 | O21 | 179.8° | 180.0° |
| H13 | C12 | C22 | C31 | 60.0° | 60.0° |
| H13 | C12 | C22 | H2 | 60.2° | 60.0° |
| H13 | C12 | C7' | C1' | 64.0° | 56.4° |
| H13 | C12 | C7' | H7'1 | 176.0° | 176.4° |
| H13 | C12 | C7' | H7'2 | 55.9° | 63.6° |
| H13 | C12 | N2 | C1 | 10.4° | 35.0° |
| O21 | C22 | C31 | H2 | 119.7° | 120.0° |
| O21 | C22 | C31 | O3 | 174.8° | 179.9° |
| O21 | C22 | C31 | C4 | 54.8° | 60.0° |
| O21 | C22 | C31 | H3 | 64.8° | 60.0° |
| C31 | C22 | O21 | HO2 | 59.9° | 60.0° |
| C22 | C31 | O3 | C4 | 121.7° | 120.0° |
| C22 | C31 | O3 | H3 | 118.6° | 120.1° |
| C22 | C31 | C4 | H3 | 118.6° | 120.0° |
| C22 | C31 | O3 | HO3 | 180.0° | 60.0° |
| C22 | C31 | C4 | C51 | 179.7° | 176.6° |
| C22 | C31 | C4 | H41 | 60.4° | 63.5° |
| C22 | C31 | C4 | H42 | 59.6° | 56.5° |
| H2 | C22 | O21 | HO2 | 60.3° | 180.0° |
| H2 | C22 | C31 | O3 | 55.1° | 60.0° |
| H2 | C22 | C31 | C4 | 64.8° | 60.0° |
| H2 | C22 | C31 | H3 | 175.5° | 180.0° |
| O3 | C31 | C4 | H3 | 120.5° | 120.0° |
| O3 | C31 | C4 | C51 | 59.4° | 63.5° |
| O3 | C31 | C4 | H41 | 60.5° | 56.5° |
| O3 | C31 | C4 | H42 | 179.5° | 176.5° |
| C4 | C31 | O3 | HO3 | 58.3° | 60.0° |
| C31 | C4 | C51 | H41 | 120.0° | 120.0° |
| C31 | C4 | C51 | H42 | 120.0° | 120.0° |
| C31 | C4 | H41 | H42 | 120.0° | 120.0° |
| C31 | C4 | C51 | C61 | 69.3° | 174.0° |
| C31 | C4 | C51 | C7 | 170.6° | 66.0° |
| C31 | C4 | C51 | H5 | 50.7° | 53.9° |
| H3 | C31 | O3 | HO3 | 61.4° | 179.9° |
| H3 | C31 | C4 | C51 | 61.0° | 56.5° |
| H3 | C31 | C4 | H41 | 179.0° | 176.5° |
| H3 | C31 | C4 | H42 | 59.0° | 63.6° |
| C51 | C4 | H41 | H42 | 120.0° | 120.0° |
| C4 | C51 | C61 | C7 | 120.9° | 120.0° |
| C4 | C51 | C61 | H5 | 119.2° | 120.1° |
| C4 | C51 | C7 | H5 | 119.2° | 120.0° |
| C4 | C51 | C61 | H611 | 180.0° | 175.1° |
| C4 | C51 | C61 | H621 | 60.0° | 55.1° |
| C4 | C51 | C61 | H63 | 60.0° | 64.8° |
| C4 | C51 | C7 | H71 | 180.0° | 60.0° |
| C4 | C51 | C7 | H72 | 60.0° | 180.0° |
| C4 | C51 | C7 | H73 | 60.0° | 60.1° |
| H41 | C4 | C51 | C61 | 170.7° | 54.0° |
| H41 | C4 | C51 | C7 | 50.7° | 174.0° |
| H41 | C4 | C51 | H5 | 69.2° | 66.0° |
| H42 | C4 | C51 | C61 | 50.7° | 65.9° |
| H42 | C4 | C51 | C7 | 69.4° | 54.1° |
| H42 | C4 | C51 | H5 | 170.7° | 174.0° |
| C61 | C51 | C7 | H5 | 120.1° | 120.0° |
| C51 | C61 | H611 | H621 | 120.0° | 120.0° |
| C51 | C61 | H611 | H63 | 120.0° | 120.0° |
| C51 | C61 | H621 | H63 | 120.0° | 119.9° |
| C61 | C51 | C7 | H71 | 59.3° | 180.0° |
| C61 | C51 | C7 | H72 | 179.2° | 59.9° |
| C61 | C51 | C7 | H73 | 60.7° | 60.0° |
| C7 | C51 | C61 | H611 | 59.1° | 64.9° |
| C7 | C51 | C61 | H621 | 60.9° | 175.1° |
| C7 | C51 | C61 | H63 | 179.1° | 55.1° |
| C51 | C7 | H71 | H72 | 120.0° | 120.0° |
| C51 | C7 | H71 | H73 | 120.0° | 120.0° |
| C51 | C7 | H72 | H73 | 120.0° | 119.9° |
| H5 | C51 | C61 | H611 | 60.8° | 55.1° |
| H5 | C51 | C61 | H621 | 179.2° | 65.0° |
| H5 | C51 | C61 | H63 | 59.2° | 175.1° |
| H5 | C51 | C7 | H71 | 60.8° | 60.0° |
| H5 | C51 | C7 | H72 | 59.2° | 60.1° |
| H5 | C51 | C7 | H73 | 179.2° | 180.0° |
| H611 | C61 | H621 | H63 | 120.0° | 120.1° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| C1' | C7' | H7'1 | H7'2 | 118.3° | 120.0° |
| C7' | C1' | C2' | C6' | 120.7° | 120.0° |
| C7' | C1' | C2' | H1' | 119.2° | 120.1° |
| C7' | C1' | C6' | H1' | 119.2° | 120.0° |
| C7' | C1' | C2' | C3' | 177.8° | 180.0° |
| C7' | C1' | C2' | H2'1 | 62.2° | 60.0° |
| C7' | C1' | C2' | H2'2 | 57.8° | 60.0° |
| C7' | C1' | C6' | C5' | 175.4° | 180.0° |
| C7' | C1' | C6' | H6'1 | 55.4° | 60.0° |
| C7' | C1' | C6' | H6'2 | 64.6° | 60.0° |
| H7'1 | C7' | C1' | C2' | 179.1° | 174.0° |
| H7'1 | C7' | C1' | C6' | 59.0° | 54.0° |
| H7'1 | C7' | C1' | H1' | 61.1° | 66.0° |
| H7'2 | C7' | C1' | C2' | 59.1° | 54.0° |
| H7'2 | C7' | C1' | C6' | 61.0° | 66.0° |
| H7'2 | C7' | C1' | H1' | 178.9° | 174.0° |
| C2' | C1' | C6' | H1' | 119.8° | 120.0° |
| C1' | C2' | C3' | H2'1 | 120.0° | 120.0° |
| C1' | C2' | C3' | H2'2 | 120.0° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 119.7° | 120.0° |
| C2' | C1' | C6' | C5' | 63.6° | 60.0° |
| C2' | C1' | C6' | H6'1 | 176.4° | 180.0° |
| C2' | C1' | C6' | H6'2 | 56.4° | 60.0° |
| C1' | C2' | C3' | C4' | 56.0° | 60.0° |
| C1' | C2' | C3' | H3'1 | 175.9° | 180.0° |
| C1' | C2' | C3' | H3'2 | 64.0° | 60.0° |
| C6' | C1' | C2' | C3' | 61.5° | 60.0° |
| C6' | C1' | C2' | H2'1 | 58.5° | 60.0° |
| C6' | C1' | C2' | H2'2 | 178.5° | 180.0° |
| C1' | C6' | C5' | H6'1 | 120.0° | 120.1° |
| C1' | C6' | C5' | H6'2 | 120.0° | 120.0° |
| C1' | C6' | H6'1 | H6'2 | 119.6° | 120.0° |
| C1' | C6' | C5' | C4' | 62.3° | 60.0° |
| C1' | C6' | C5' | H5'1 | 57.7° | 60.0° |
| C1' | C6' | C5' | H5'2 | 177.7° | 180.0° |
| H1' | C1' | C2' | C3' | 58.6° | 60.0° |
| H1' | C1' | C2' | H2'1 | 178.6° | 180.0° |
| H1' | C1' | C2' | H2'2 | 61.4° | 60.0° |
| H1' | C1' | C6' | C5' | 56.2° | 60.0° |
| H1' | C1' | C6' | H6'1 | 63.8° | 60.1° |
| H1' | C1' | C6' | H6'2 | 176.2° | 180.0° |
| C3' | C2' | H2'1 | H2'2 | 119.6° | 120.1° |
| C2' | C3' | C4' | H3'1 | 120.0° | 120.0° |
| C2' | C3' | C4' | H3'2 | 120.0° | 120.0° |
| C2' | C3' | H3'1 | H3'2 | 119.8° | 120.0° |
| C2' | C3' | C4' | C5' | 53.8° | 60.0° |
| C2' | C3' | C4' | H4'1 | 66.3° | 60.0° |
| C2' | C3' | C4' | H4'2 | 173.7° | 180.0° |
| H2'1 | C2' | C3' | C4' | 64.0° | 60.0° |
| H2'1 | C2' | C3' | H3'1 | 56.0° | 60.0° |
| H2'1 | C2' | C3' | H3'2 | 176.0° | 180.0° |
| H2'2 | C2' | C3' | C4' | 176.0° | 180.0° |
| H2'2 | C2' | C3' | H3'1 | 64.1° | 60.0° |
| H2'2 | C2' | C3' | H3'2 | 56.0° | 60.0° |
| C5' | C6' | H6'1 | H6'2 | 119.6° | 119.9° |
| C6' | C5' | C4' | C3' | 55.6° | 59.9° |
| C6' | C5' | C4' | H5'1 | 120.0° | 119.9° |
| C6' | C5' | C4' | H5'2 | 120.0° | 120.0° |
| C6' | C5' | H5'1 | H5'2 | 119.8° | 120.0° |
| C6' | C5' | C4' | H4'1 | 64.4° | 60.0° |
| C6' | C5' | C4' | H4'2 | 175.6° | 180.0° |
| H6'1 | C6' | C5' | C4' | 177.7° | 180.0° |
| H6'1 | C6' | C5' | H5'1 | 62.3° | 60.1° |
| H6'1 | C6' | C5' | H5'2 | 57.7° | 59.9° |
| H6'2 | C6' | C5' | C4' | 57.7° | 60.0° |
| H6'2 | C6' | C5' | H5'1 | 177.7° | 180.0° |
| H6'2 | C6' | C5' | H5'2 | 62.3° | 60.0° |
| C4' | C3' | H3'1 | H3'2 | 119.8° | 120.0° |
| C3' | C4' | C5' | H4'1 | 120.0° | 120.0° |
| C3' | C4' | C5' | H4'2 | 120.0° | 120.0° |
| C3' | C4' | C5' | H5'1 | 64.4° | 60.0° |
| C3' | C4' | C5' | H5'2 | 175.6° | 180.0° |
| C3' | C4' | H4'1 | H4'2 | 119.9° | 120.0° |
| H3'1 | C3' | C4' | C5' | 173.7° | 180.0° |
| H3'1 | C3' | C4' | H4'1 | 53.7° | 60.0° |
| H3'1 | C3' | C4' | H4'2 | 66.3° | 60.0° |
| H3'2 | C3' | C4' | C5' | 66.2° | 60.0° |
| H3'2 | C3' | C4' | H4'1 | 173.8° | 180.0° |
| H3'2 | C3' | C4' | H4'2 | 53.8° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 119.8° | 120.1° |
| C5' | C4' | H4'1 | H4'2 | 119.9° | 120.0° |
| H5'1 | C5' | C4' | H4'1 | 175.6° | 180.0° |
| H5'1 | C5' | C4' | H4'2 | 55.7° | 60.0° |
| H5'2 | C5' | C4' | H4'1 | 55.6° | 60.0° |
| H5'2 | C5' | C4' | H4'2 | 64.4° | 60.0° |
