0ZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.42Å | Aromatic |
| C1 | C8A | sing | 1.41Å | 1.38Å | Aromatic |
| C1 | S | sing | 1.76Å | 1.87Å | |
| C2 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.36Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C4A | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C4A | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| C4A | C8A | sing | 1.42Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N | sing | 1.39Å | 1.40Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C8A | doub | 1.40Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N | CM1 | sing | 1.47Å | 1.48Å | |
| N | CM2 | sing | 1.47Å | 1.62Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM1 | HM12 | sing | 1.09Å | 1.10Å | |
| CM1 | HM13 | sing | 1.09Å | 1.10Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| S | O1S | doub | 1.42Å | 1.49Å | |
| S | O2S | doub | 1.42Å | 1.51Å | |
| N1 | CA | sing | 1.47Å | 1.46Å | |
| N1 | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.42Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.47Å | 1.49Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| NE | CZ | sing | 1.37Å | 1.30Å | |
| NE | HE | sing | 0.97Å | 1.00Å | |
| CZ | NH1 | sing | 1.33Å | 1.36Å | |
| CZ | NH2 | doub | 1.33Å | 1.28Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH1 | HH12 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| N11 | C21 | sing | 1.47Å | 1.56Å | |
| N11 | C61 | sing | 1.47Å | 1.57Å | |
| C21 | C31 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | C41 | sing | 1.53Å | 1.61Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | C51 | sing | 1.53Å | 1.63Å | |
| C41 | C1' | sing | 1.53Å | 1.43Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C51 | C61 | sing | 1.53Å | 1.55Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | sing | 1.53Å | 1.56Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | 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 | |
| S | N1 | sing | 1.66Å | 1.77Å | |
| C | N11 | sing | 1.35Å | 1.44Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C8A | 120.7° | 119.6° |
| C2 | C1 | S | 118.0° | 120.2° |
| C1 | C2 | C3 | 120.1° | 121.0° |
| C1 | C2 | H2 | 119.9° | 119.5° |
| C8A | C1 | S | 121.3° | 120.2° |
| C1 | C8A | C4A | 119.2° | 119.3° |
| C1 | C8A | C8 | 120.9° | 121.1° |
| C1 | S | O1S | 104.3° | 106.4° |
| C1 | S | O2S | 125.8° | 106.4° |
| C1 | S | N1 | 110.4° | 107.2° |
| C3 | C2 | H2 | 119.9° | 119.5° |
| C2 | C3 | C4 | 120.1° | 120.9° |
| C2 | C3 | H3 | 120.0° | 119.5° |
| C4 | C3 | H3 | 120.0° | 119.5° |
| C3 | C4 | C4A | 120.9° | 119.7° |
| C3 | C4 | H4 | 119.6° | 120.2° |
| C4A | C4 | H4 | 119.6° | 120.2° |
| C4 | C4A | C5 | 121.3° | 121.2° |
| C4 | C4A | C8A | 119.0° | 119.4° |
| C5 | C4A | C8A | 119.7° | 119.3° |
| C4A | C5 | C6 | 121.1° | 119.4° |
| C4A | C5 | N | 119.6° | 120.3° |
| C4A | C8A | C8 | 119.8° | 119.5° |
| C6 | C5 | N | 119.2° | 120.3° |
| C5 | C6 | C7 | 118.3° | 120.8° |
| C5 | C6 | H6 | 120.8° | 119.6° |
| C5 | N | CM1 | 124.8° | 111.0° |
| C5 | N | CM2 | 114.1° | 110.9° |
| C7 | C6 | H6 | 120.9° | 119.6° |
| C6 | C7 | C8 | 121.8° | 121.1° |
| C6 | C7 | H7 | 119.1° | 119.5° |
| C8 | C7 | H7 | 119.1° | 119.4° |
| C7 | C8 | C8A | 119.2° | 119.9° |
| C7 | C8 | H8 | 120.4° | 120.0° |
| C8A | C8 | H8 | 120.4° | 120.1° |
| CM1 | N | CM2 | 109.4° | 111.0° |
| N | CM1 | HM11 | 109.5° | 109.5° |
| N | CM1 | HM12 | 109.4° | 109.5° |
| N | CM1 | HM13 | 109.5° | 109.5° |
| N | CM2 | HM21 | 109.5° | 109.5° |
| N | CM2 | HM22 | 109.5° | 109.4° |
| N | CM2 | HM23 | 109.5° | 109.5° |
| HM11 | CM1 | HM12 | 109.5° | 109.5° |
| HM11 | CM1 | HM13 | 109.4° | 109.5° |
| HM12 | CM1 | HM13 | 109.5° | 109.5° |
| HM21 | CM2 | HM22 | 109.5° | 109.5° |
| HM21 | CM2 | HM23 | 109.5° | 109.4° |
| HM22 | CM2 | HM23 | 109.4° | 109.4° |
| O1S | S | O2S | 111.0° | 123.2° |
| O1S | S | N1 | 104.4° | 106.4° |
| O2S | S | N1 | 99.3° | 106.4° |
| CA | N1 | H | 106.1° | 120.0° |
| N1 | CA | C | 108.9° | 109.5° |
| N1 | CA | CB | 109.1° | 109.5° |
| N1 | CA | HA | 110.3° | 109.5° |
| CA | N1 | S | 120.1° | 120.0° |
| H | N1 | S | 106.1° | 120.0° |
| C | CA | CB | 109.9° | 109.5° |
| C | CA | HA | 109.4° | 109.5° |
| CA | C | O | 123.5° | 120.0° |
| CA | C | N11 | 115.8° | 120.0° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | CG | 149.3° | 109.5° |
| CA | CB | HB2 | 97.8° | 109.5° |
| CA | CB | HB3 | 90.3° | 109.4° |
| O | C | N11 | 118.2° | 120.0° |
| CG | CB | HB2 | 97.8° | 109.5° |
| CG | CB | HB3 | 90.3° | 109.5° |
| CB | CG | CD | 107.2° | 109.5° |
| CB | CG | HG2 | 110.2° | 109.5° |
| CB | CG | HG3 | 110.8° | 109.5° |
| HB2 | CB | HB3 | 148.1° | 109.5° |
| CD | CG | HG2 | 110.2° | 109.4° |
| CD | CG | HG3 | 110.7° | 109.4° |
| CG | CD | NE | 107.4° | 109.5° |
| CG | CD | HD2 | 110.2° | 109.5° |
| CG | CD | HD3 | 110.6° | 109.5° |
| HG2 | CG | HG3 | 107.7° | 109.5° |
| NE | CD | HD2 | 110.2° | 109.5° |
| NE | CD | HD3 | 110.6° | 109.5° |
| CD | NE | CZ | 134.7° | 120.0° |
| CD | NE | HE | 112.6° | 120.0° |
| HD2 | CD | HD3 | 107.8° | 109.5° |
| CZ | NE | HE | 112.7° | 120.0° |
| NE | CZ | NH1 | 117.5° | 120.0° |
| NE | CZ | NH2 | 119.7° | 120.0° |
| NH1 | CZ | NH2 | 122.8° | 119.9° |
| CZ | NH1 | HH11 | 110.1° | 119.9° |
| CZ | NH1 | HH12 | 124.9° | 120.0° |
| CZ | NH2 | HH21 | 110.1° | 120.1° |
| CZ | NH2 | HH22 | 125.0° | 120.0° |
| HH11 | NH1 | HH12 | 125.0° | 120.1° |
| HH21 | NH2 | HH22 | 124.9° | 119.9° |
| C21 | N11 | C61 | 122.9° | 118.8° |
| N11 | C21 | C31 | 109.6° | 108.7° |
| N11 | C21 | H21 | 109.4° | 109.6° |
| N11 | C21 | H22 | 109.4° | 109.6° |
| C21 | N11 | C | 110.3° | 120.7° |
| N11 | C61 | C51 | 104.2° | 109.0° |
| N11 | C61 | H61 | 111.3° | 109.6° |
| N11 | C61 | H62 | 112.4° | 109.6° |
| C61 | N11 | C | 117.0° | 120.6° |
| C31 | C21 | H21 | 109.4° | 109.6° |
| C31 | C21 | H22 | 109.4° | 109.6° |
| C21 | C31 | C41 | 109.7° | 109.4° |
| C21 | C31 | H31 | 109.4° | 109.5° |
| C21 | C31 | H32 | 109.3° | 109.5° |
| H21 | C21 | H22 | 109.6° | 109.7° |
| C41 | C31 | H31 | 109.4° | 109.5° |
| C41 | C31 | H32 | 109.3° | 109.5° |
| C31 | C41 | C51 | 115.8° | 109.5° |
| C31 | C41 | C1' | 100.8° | 109.5° |
| C31 | C41 | H41 | 112.1° | 109.5° |
| H31 | C31 | H32 | 109.7° | 109.5° |
| C51 | C41 | C1' | 111.9° | 109.5° |
| C51 | C41 | H41 | 101.0° | 109.4° |
| C41 | C51 | C61 | 111.8° | 109.4° |
| C41 | C51 | H51 | 108.7° | 109.5° |
| C41 | C51 | H52 | 108.2° | 109.5° |
| C1' | C41 | H41 | 115.9° | 109.5° |
| C41 | C1' | C2' | 115.5° | 109.5° |
| C41 | C1' | H1'1 | 107.5° | 109.5° |
| C41 | C1' | H1'2 | 106.1° | 109.5° |
| C61 | C51 | H51 | 108.7° | 109.5° |
| C61 | C51 | H52 | 108.2° | 109.4° |
| C51 | C61 | H61 | 111.3° | 109.5° |
| C51 | C61 | H62 | 112.4° | 109.4° |
| H51 | C51 | H52 | 111.3° | 109.5° |
| H61 | C61 | H62 | 105.5° | 109.7° |
| C2' | C1' | H1'1 | 107.5° | 109.5° |
| C2' | C1' | H1'2 | 106.1° | 109.4° |
| C1' | C2' | H2'1 | 109.5° | 109.5° |
| C1' | C2' | H2'2 | 109.5° | 109.4° |
| C1' | C2' | H2'3 | 109.5° | 109.4° |
| H1'1 | C1' | H1'2 | 114.4° | 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° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C8A | S | 178.1° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C2 | C1 | C8A | C4A | 0.1° | 0.0° |
| C2 | C1 | C8A | C8 | 179.3° | 179.9° |
| C2 | C1 | S | O1S | 5.5° | 2.5° |
| C2 | C1 | S | O2S | 135.2° | 130.5° |
| C2 | C1 | S | N1 | 106.1° | 116.0° |
| C8A | C1 | C2 | C3 | 0.3° | 0.0° |
| C8A | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C8A | C4A | C4 | 0.0° | 0.0° |
| C1 | C8A | C4A | C5 | 179.9° | 179.9° |
| C1 | C8A | C4A | C8 | 179.1° | 179.9° |
| C1 | C8A | C8 | C7 | 179.4° | 179.9° |
| C1 | C8A | C8 | H8 | 0.6° | 0.0° |
| C8A | C1 | S | O1S | 176.4° | 177.2° |
| C8A | C1 | S | O2S | 46.7° | 49.8° |
| C8A | C1 | S | N1 | 72.1° | 63.7° |
| S | C1 | C2 | C3 | 178.5° | 179.7° |
| S | C1 | C2 | H2 | 1.5° | 0.2° |
| S | C1 | C8A | C4A | 178.0° | 179.8° |
| S | C1 | C8A | C8 | 1.2° | 0.3° |
| C1 | S | O1S | O2S | 138.0° | 123.0° |
| C1 | S | O1S | N1 | 115.8° | 114.1° |
| C1 | S | O2S | N1 | 123.6° | 114.1° |
| C1 | S | N1 | CA | 61.1° | 65.1° |
| C1 | S | N1 | H | 58.9° | 115.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C4A | 1.1° | 0.1° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.1° | 180.0° |
| H2 | C2 | C3 | H3 | 0.9° | 0.0° |
| C3 | C4 | C4A | H4 | 180.0° | 180.0° |
| C3 | C4 | C4A | C5 | 179.3° | 180.0° |
| C3 | C4 | C4A | C8A | 0.6° | 0.0° |
| H3 | C3 | C4 | C4A | 178.9° | 180.0° |
| H3 | C3 | C4 | H4 | 1.1° | 0.0° |
| C4 | C4A | C5 | C8A | 179.9° | 180.0° |
| C4 | C4A | C5 | C6 | 177.9° | 180.0° |
| C4 | C4A | C5 | N | 1.9° | 0.0° |
| C4 | C4A | C8A | C8 | 179.1° | 179.9° |
| H4 | C4 | C4A | C5 | 0.7° | 0.1° |
| H4 | C4 | C4A | C8A | 179.4° | 180.0° |
| C4A | C5 | C6 | N | 176.0° | 180.0° |
| C4A | C5 | C6 | C7 | 3.8° | 0.0° |
| C4A | C5 | C6 | H6 | 176.2° | 180.0° |
| C5 | C4A | C8A | C8 | 1.0° | 0.0° |
| C4A | C5 | N | CM1 | 102.4° | 120.0° |
| C4A | C5 | N | CM2 | 118.6° | 116.0° |
| C8A | C4A | C5 | C6 | 2.2° | 0.0° |
| C8A | C4A | C5 | N | 178.2° | 180.0° |
| C4A | C8A | C8 | C7 | 1.5° | 0.0° |
| C4A | C8A | C8 | H8 | 178.5° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 4.3° | 0.0° |
| C5 | C6 | C7 | H7 | 175.6° | 179.9° |
| C6 | C5 | N | CM1 | 73.7° | 60.0° |
| C6 | C5 | N | CM2 | 65.3° | 64.0° |
| N | C5 | C6 | C7 | 179.8° | 180.0° |
| N | C5 | C6 | H6 | 0.2° | 0.0° |
| C5 | N | CM1 | CM2 | 140.6° | 123.9° |
| C5 | N | CM1 | HM11 | 91.1° | 60.0° |
| C5 | N | CM1 | HM12 | 148.8° | 180.0° |
| C5 | N | CM1 | HM13 | 28.8° | 60.1° |
| C5 | N | CM2 | HM21 | 133.3° | 60.0° |
| C5 | N | CM2 | HM22 | 106.7° | 180.0° |
| C5 | N | CM2 | HM23 | 13.3° | 60.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C8A | 3.2° | 0.0° |
| C6 | C7 | C8 | H8 | 176.8° | 179.9° |
| H6 | C6 | C7 | C8 | 175.7° | 180.0° |
| H6 | C6 | C7 | H7 | 4.3° | 0.1° |
| C7 | C8 | C8A | H8 | 180.0° | 180.0° |
| H7 | C7 | C8 | C8A | 176.8° | 179.9° |
| H7 | C7 | C8 | H8 | 3.2° | 0.0° |
| N | CM1 | HM11 | HM12 | 120.0° | 120.0° |
| N | CM1 | HM11 | HM13 | 120.0° | 120.0° |
| N | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| CM1 | N | CM2 | HM21 | 81.5° | 176.1° |
| CM1 | N | CM2 | HM22 | 38.5° | 56.0° |
| CM1 | N | CM2 | HM23 | 158.5° | 63.9° |
| CM2 | N | CM1 | HM11 | 49.5° | 64.0° |
| CM2 | N | CM1 | HM12 | 70.6° | 56.0° |
| CM2 | N | CM1 | HM13 | 169.4° | 176.0° |
| N | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| N | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| N | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| HM11 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| O1S | S | O2S | N1 | 109.4° | 122.9° |
| O1S | S | N1 | CA | 50.4° | 48.5° |
| O1S | S | N1 | H | 170.4° | 131.5° |
| O2S | S | N1 | CA | 165.0° | 178.6° |
| O2S | S | N1 | H | 74.9° | 1.5° |
| CA | N1 | H | S | 128.8° | 179.9° |
| N1 | CA | C | CB | 119.4° | 120.0° |
| N1 | CA | C | HA | 120.6° | 120.0° |
| N1 | CA | CB | HA | 120.6° | 120.0° |
| N1 | CA | C | O | 34.2° | 19.2° |
| N1 | CA | CB | CG | 36.7° | 64.4° |
| N1 | CA | CB | HB2 | 83.3° | 175.6° |
| N1 | CA | CB | HB3 | 127.7° | 55.6° |
| N1 | CA | C | N11 | 127.0° | 160.8° |
| H | N1 | CA | C | 35.1° | 35.4° |
| H | N1 | CA | CB | 84.8° | 84.6° |
| H | N1 | CA | HA | 155.2° | 155.4° |
| C | CA | CB | HA | 120.1° | 120.0° |
| CA | C | O | N11 | 160.9° | 180.0° |
| C | CA | CB | CG | 156.0° | 55.6° |
| C | CA | CB | HB2 | 36.0° | 64.4° |
| C | CA | CB | HB3 | 113.0° | 175.6° |
| CA | C | N11 | C21 | 176.4° | 174.9° |
| CA | C | N11 | C61 | 29.4° | 4.9° |
| C | CA | N1 | S | 84.9° | 144.7° |
| CB | CA | C | O | 85.2° | 100.8° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 91.0° | 120.0° |
| CA | CB | HB2 | HB3 | 103.2° | 120.0° |
| CA | CB | CG | CD | 177.3° | 174.9° |
| CA | CB | CG | HG2 | 62.7° | 55.0° |
| CA | CB | CG | HG3 | 56.4° | 65.1° |
| CB | CA | N1 | S | 155.1° | 95.3° |
| CB | CA | C | N11 | 113.6° | 79.2° |
| HA | CA | C | O | 154.9° | 139.2° |
| HA | CA | CB | CG | 83.9° | 175.6° |
| HA | CA | CB | HB2 | 156.1° | 55.6° |
| HA | CA | CB | HB3 | 7.1° | 64.4° |
| HA | CA | N1 | S | 35.2° | 24.7° |
| HA | CA | C | N11 | 6.4° | 40.8° |
| O | C | N11 | C21 | 21.3° | 5.1° |
| O | C | N11 | C61 | 168.3° | 175.1° |
| CG | CB | HB2 | HB3 | 103.2° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 120.9° | 120.0° |
| CB | CG | HG2 | HG3 | 120.9° | 120.1° |
| CB | CG | CD | NE | 104.4° | 180.0° |
| CB | CG | CD | HD2 | 15.7° | 60.0° |
| CB | CG | CD | HD3 | 134.8° | 60.0° |
| HB2 | CB | CG | CD | 57.3° | 65.1° |
| HB2 | CB | CG | HG2 | 177.3° | 175.0° |
| HB2 | CB | CG | HG3 | 63.6° | 54.8° |
| HB3 | CB | CG | CD | 91.7° | 54.9° |
| HB3 | CB | CG | HG2 | 28.3° | 65.0° |
| HB3 | CB | CG | HG3 | 147.4° | 174.9° |
| CD | CG | HG2 | HG3 | 120.9° | 119.9° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | NE | HD3 | 120.9° | 120.0° |
| CG | CD | HD2 | HD3 | 120.8° | 120.0° |
| CG | CD | NE | CZ | 131.6° | 180.0° |
| CG | CD | NE | HE | 48.4° | 0.0° |
| HG2 | CG | CD | NE | 135.6° | 60.0° |
| HG2 | CG | CD | HD2 | 104.3° | 180.0° |
| HG2 | CG | CD | HD3 | 14.8° | 60.0° |
| HG3 | CG | CD | NE | 16.5° | 60.0° |
| HG3 | CG | CD | HD2 | 136.6° | 60.0° |
| HG3 | CG | CD | HD3 | 104.3° | 180.0° |
| NE | CD | HD2 | HD3 | 120.8° | 120.0° |
| CD | NE | CZ | HE | 180.0° | 180.0° |
| CD | NE | CZ | NH1 | 4.1° | 0.0° |
| CD | NE | CZ | NH2 | 176.2° | 180.0° |
| HD2 | CD | NE | CZ | 11.6° | 60.0° |
| HD2 | CD | NE | HE | 168.4° | 120.0° |
| HD3 | CD | NE | CZ | 107.5° | 60.0° |
| HD3 | CD | NE | HE | 72.5° | 120.0° |
| NE | CZ | NH1 | NH2 | 179.7° | 180.0° |
| NE | CZ | NH1 | HH11 | 180.0° | 0.1° |
| NE | CZ | NH1 | HH12 | 0.0° | 180.0° |
| NE | CZ | NH2 | HH21 | 0.1° | 180.0° |
| NE | CZ | NH2 | HH22 | 179.8° | 0.0° |
| HE | NE | CZ | NH1 | 175.9° | 180.0° |
| HE | NE | CZ | NH2 | 3.8° | 0.0° |
| CZ | NH1 | HH11 | HH12 | 180.0° | 179.9° |
| NH1 | CZ | NH2 | HH21 | 179.9° | 0.1° |
| NH1 | CZ | NH2 | HH22 | 0.1° | 180.0° |
| NH2 | CZ | NH1 | HH11 | 0.3° | 180.0° |
| NH2 | CZ | NH1 | HH12 | 179.7° | 0.1° |
| CZ | NH2 | HH21 | HH22 | 180.0° | 180.0° |
| C21 | N11 | C61 | C | 142.5° | 179.8° |
| N11 | C21 | C31 | H21 | 120.0° | 119.8° |
| N11 | C21 | C31 | H22 | 120.0° | 119.8° |
| N11 | C21 | H21 | H22 | 119.9° | 120.3° |
| N11 | C21 | C31 | C41 | 46.5° | 54.7° |
| N11 | C21 | C31 | H31 | 166.6° | 174.6° |
| N11 | C21 | C31 | H32 | 73.4° | 65.3° |
| C21 | N11 | C61 | C51 | 56.3° | 53.3° |
| C21 | N11 | C61 | H61 | 176.3° | 173.2° |
| C21 | N11 | C61 | H62 | 65.7° | 66.4° |
| C61 | N11 | C21 | C31 | 56.0° | 53.4° |
| C61 | N11 | C21 | H21 | 64.0° | 66.4° |
| C61 | N11 | C21 | H22 | 175.9° | 173.2° |
| N11 | C61 | C51 | C41 | 50.3° | 54.4° |
| N11 | C61 | C51 | H61 | 120.0° | 119.9° |
| N11 | C61 | C51 | H62 | 121.9° | 119.8° |
| N11 | C61 | C51 | H51 | 170.3° | 174.4° |
| N11 | C61 | C51 | H52 | 68.8° | 65.6° |
| N11 | C61 | H61 | H62 | 122.2° | 120.4° |
| C31 | C21 | H21 | H22 | 120.0° | 120.4° |
| C21 | C31 | C41 | H31 | 120.0° | 120.0° |
| C21 | C31 | C41 | H32 | 119.9° | 120.0° |
| C21 | C31 | H31 | H32 | 119.9° | 120.1° |
| C21 | C31 | C41 | C51 | 50.8° | 61.4° |
| C21 | C31 | C41 | C1' | 171.8° | 178.6° |
| C21 | C31 | C41 | H41 | 64.3° | 58.6° |
| C31 | C21 | N11 | C | 159.4° | 126.4° |
| H21 | C21 | C31 | C41 | 73.5° | 65.1° |
| H21 | C21 | C31 | H31 | 46.6° | 54.8° |
| H21 | C21 | C31 | H32 | 166.7° | 174.9° |
| H21 | C21 | N11 | C | 80.7° | 113.8° |
| H22 | C21 | C31 | C41 | 166.5° | 174.4° |
| H22 | C21 | C31 | H31 | 73.5° | 65.6° |
| H22 | C21 | C31 | H32 | 46.6° | 54.5° |
| H22 | C21 | N11 | C | 39.4° | 6.6° |
| C41 | C31 | H31 | H32 | 119.9° | 120.0° |
| C31 | C41 | C51 | C1' | 114.8° | 120.0° |
| C31 | C41 | C51 | H41 | 121.3° | 120.0° |
| C31 | C41 | C1' | H41 | 121.3° | 120.0° |
| C31 | C41 | C51 | C61 | 54.7° | 61.2° |
| C31 | C41 | C51 | H51 | 174.7° | 178.7° |
| C31 | C41 | C51 | H52 | 64.3° | 58.7° |
| C31 | C41 | C1' | C2' | 169.3° | 175.1° |
| C31 | C41 | C1' | H1'1 | 49.3° | 55.0° |
| C31 | C41 | C1' | H1'2 | 73.4° | 65.0° |
| H31 | C31 | C41 | C51 | 170.8° | 178.7° |
| H31 | C31 | C41 | C1' | 68.2° | 58.6° |
| H31 | C31 | C41 | H41 | 55.7° | 61.4° |
| H32 | C31 | C41 | C51 | 69.1° | 58.7° |
| H32 | C31 | C41 | C1' | 51.9° | 61.4° |
| H32 | C31 | C41 | H41 | 175.8° | 178.6° |
| C51 | C41 | C1' | H41 | 115.1° | 119.9° |
| C41 | C51 | C61 | H51 | 120.0° | 120.0° |
| C41 | C51 | C61 | H52 | 119.0° | 120.0° |
| C41 | C51 | H51 | H52 | 119.1° | 120.1° |
| C41 | C51 | C61 | H61 | 170.3° | 174.3° |
| C41 | C51 | C61 | H62 | 71.7° | 65.4° |
| C51 | C41 | C1' | C2' | 67.0° | 64.9° |
| C51 | C41 | C1' | H1'1 | 173.0° | 175.0° |
| C51 | C41 | C1' | H1'2 | 50.2° | 55.0° |
| C1' | C41 | C51 | C61 | 169.5° | 178.7° |
| C1' | C41 | C51 | H51 | 70.5° | 58.7° |
| C1' | C41 | C51 | H52 | 50.4° | 61.4° |
| C41 | C1' | C2' | H1'1 | 120.0° | 120.0° |
| C41 | C1' | C2' | H1'2 | 117.3° | 120.0° |
| C41 | C1' | H1'1 | H1'2 | 117.5° | 120.0° |
| C41 | C1' | C2' | H2'1 | 13.4° | 60.0° |
| C41 | C1' | C2' | H2'2 | 106.6° | 60.0° |
| C41 | C1' | C2' | H2'3 | 133.4° | 180.0° |
| H41 | C41 | C51 | C61 | 66.6° | 58.7° |
| H41 | C41 | C51 | H51 | 53.4° | 61.3° |
| H41 | C41 | C51 | H52 | 174.4° | 178.6° |
| H41 | C41 | C1' | C2' | 48.1° | 55.1° |
| H41 | C41 | C1' | H1'1 | 71.9° | 65.0° |
| H41 | C41 | C1' | H1'2 | 165.3° | 175.0° |
| C61 | C51 | H51 | H52 | 119.1° | 119.9° |
| C51 | C61 | H61 | H62 | 122.2° | 120.1° |
| C51 | C61 | N11 | C | 161.2° | 126.5° |
| H51 | C51 | C61 | H61 | 69.7° | 65.7° |
| H51 | C51 | C61 | H62 | 48.3° | 54.6° |
| H52 | C51 | C61 | H61 | 51.2° | 54.3° |
| H52 | C51 | C61 | H62 | 169.3° | 174.6° |
| H61 | C61 | N11 | C | 41.2° | 6.6° |
| H62 | C61 | N11 | C | 76.9° | 113.8° |
| C2' | C1' | H1'1 | H1'2 | 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° | 119.9° |
| H1'1 | C1' | C2' | H2'1 | 133.4° | 180.0° |
| H1'1 | C1' | C2' | H2'2 | 13.4° | 60.0° |
| H1'1 | C1' | C2' | H2'3 | 106.6° | 59.9° |
| H1'2 | C1' | C2' | H2'1 | 103.9° | 60.0° |
| H1'2 | C1' | C2' | H2'2 | 136.1° | NaN° |
| H1'2 | C1' | C2' | H2'3 | 16.2° | 60.1° |
| H2'1 | C2' | H2'2 | H2'3 | 120.0° | 120.0° |
