E18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | S19 | doub | 1.42Å | 1.41Å | |
| S19 | O21 | sing | 1.52Å | 1.50Å | |
| S19 | O22 | doub | 1.42Å | 1.47Å | |
| S19 | O18 | sing | 1.52Å | 1.62Å | |
| O18 | N17 | sing | 1.42Å | 1.36Å | |
| N17 | C13 | doub | 1.29Å | 1.26Å | |
| C13 | S1 | sing | 1.76Å | 1.73Å | |
| C13 | CB | sing | 1.51Å | 1.54Å | |
| S1 | C1 | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N18 | sing | 1.47Å | 1.50Å | |
| N18 | C20 | sing | 1.47Å | 1.49Å | |
| N18 | C19 | sing | 1.47Å | 1.48Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.35Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | CE1 | doub | 1.38Å | 1.36Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | S19 | O21 | 112.1° | 106.4° |
| O20 | S19 | O22 | 114.7° | 123.2° |
| O20 | S19 | O18 | 116.7° | 106.4° |
| O21 | S19 | O22 | 108.1° | 106.4° |
| O21 | S19 | O18 | 102.8° | 107.2° |
| S19 | O21 | H21 | 109.5° | 114.0° |
| O22 | S19 | O18 | 101.2° | 106.4° |
| S19 | O18 | N17 | 116.5° | 114.0° |
| O18 | N17 | C13 | 118.7° | 120.0° |
| N17 | C13 | S1 | 117.2° | 120.0° |
| N17 | C13 | CB | 110.6° | 120.0° |
| S1 | C13 | CB | 132.2° | 120.0° |
| C13 | S1 | C1 | 121.9° | 100.0° |
| C13 | CB | CG | 112.6° | 109.4° |
| C13 | CB | HB1C | 108.5° | 109.5° |
| C13 | CB | HB2C | 107.7° | 109.4° |
| S1 | C1 | C2 | 112.7° | 109.4° |
| S1 | C1 | H11C | 108.4° | 109.5° |
| S1 | C1 | H12C | 107.7° | 109.4° |
| C1 | C2 | N18 | 121.7° | 109.5° |
| C2 | C1 | H11C | 108.4° | 109.4° |
| C2 | C1 | H12C | 107.7° | 109.5° |
| C1 | C2 | H21C | 105.6° | 109.5° |
| C1 | C2 | H22C | 102.7° | 109.5° |
| C2 | N18 | C20 | 114.6° | 111.0° |
| C2 | N18 | C19 | 105.7° | 111.0° |
| N18 | C2 | H21C | 105.6° | 109.5° |
| N18 | C2 | H22C | 102.7° | 109.4° |
| C20 | N18 | C19 | 106.6° | 111.0° |
| N18 | C20 | H201 | 109.5° | 109.5° |
| N18 | C20 | H202 | 109.5° | 109.5° |
| N18 | C20 | H203 | 109.5° | 109.5° |
| N18 | C19 | H191 | 109.5° | 109.4° |
| N18 | C19 | H192 | 109.4° | 109.5° |
| N18 | C19 | H193 | 109.4° | 109.4° |
| CB | CG | CD2 | 122.9° | 120.0° |
| CB | CG | CD1 | 116.6° | 120.0° |
| CG | CB | HB1C | 108.4° | 109.4° |
| CG | CB | HB2C | 107.7° | 109.5° |
| CD2 | CG | CD1 | 119.5° | 120.0° |
| CG | CD2 | CE2 | 122.4° | 120.0° |
| CG | CD2 | HD2 | 118.8° | 120.0° |
| CG | CD1 | CE1 | 117.5° | 120.0° |
| CG | CD1 | HD1 | 121.3° | 120.0° |
| CD2 | CE2 | CZ | 118.5° | 120.0° |
| CE2 | CD2 | HD2 | 118.8° | 120.0° |
| CD2 | CE2 | HE2 | 120.8° | 120.0° |
| CE2 | CZ | CE1 | 119.6° | 120.0° |
| CZ | CE2 | HE2 | 120.7° | 120.0° |
| CE2 | CZ | HZ | 120.2° | 120.0° |
| CZ | CE1 | CD1 | 122.2° | 120.0° |
| CE1 | CZ | HZ | 120.2° | 120.0° |
| CZ | CE1 | HE1 | 118.9° | 120.0° |
| CE1 | CD1 | HD1 | 121.3° | 120.1° |
| CD1 | CE1 | HE1 | 118.9° | 120.0° |
| HB1C | CB | HB2C | 111.9° | 109.5° |
| H11C | C1 | H12C | 112.0° | 109.5° |
| H21C | C2 | H22C | 119.6° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | S19 | O21 | O22 | 127.4° | 133.0° |
| O20 | S19 | O21 | O18 | 126.1° | 113.5° |
| O20 | S19 | O22 | O18 | 126.5° | 122.9° |
| O20 | S19 | O18 | N17 | 160.8° | 171.4° |
| O20 | S19 | O21 | H21 | 97.9° | 66.4° |
| O21 | S19 | O22 | O18 | 107.6° | 114.1° |
| O21 | S19 | O18 | N17 | 37.7° | 75.0° |
| O22 | S19 | O18 | N17 | 74.0° | 38.5° |
| O22 | S19 | O21 | H21 | 134.7° | 66.5° |
| S19 | O18 | N17 | C13 | 155.4° | 180.0° |
| O18 | S19 | O21 | H21 | 28.2° | 180.0° |
| O18 | N17 | C13 | S1 | 0.5° | 5.2° |
| O18 | N17 | C13 | CB | 179.4° | 174.8° |
| N17 | C13 | S1 | CB | 178.6° | 179.9° |
| N17 | C13 | S1 | C1 | 145.0° | 174.7° |
| N17 | C13 | CB | CG | 104.6° | 0.0° |
| N17 | C13 | CB | HB1C | 15.4° | 119.9° |
| N17 | C13 | CB | HB2C | 136.7° | 120.0° |
| C13 | S1 | C1 | C2 | 49.5° | 175.4° |
| S1 | C13 | CB | CG | 74.1° | 180.0° |
| S1 | C13 | CB | HB1C | 165.9° | 60.0° |
| S1 | C13 | CB | HB2C | 44.6° | 60.1° |
| C13 | S1 | C1 | H11C | 70.5° | 55.5° |
| C13 | S1 | C1 | H12C | 168.1° | 64.5° |
| CB | C13 | S1 | C1 | 36.3° | 5.2° |
| C13 | CB | CG | HB1C | 120.0° | 120.0° |
| C13 | CB | CG | HB2C | 118.7° | 119.9° |
| C13 | CB | CG | CD2 | 126.5° | 90.0° |
| C13 | CB | CG | CD1 | 42.2° | 90.3° |
| C13 | CB | HB1C | HB2C | 118.7° | 120.0° |
| S1 | C1 | C2 | H11C | 120.0° | 120.0° |
| S1 | C1 | C2 | H12C | 118.6° | 120.0° |
| S1 | C1 | C2 | N18 | 137.6° | 180.0° |
| S1 | C1 | H11C | H12C | 118.7° | 120.0° |
| S1 | C1 | C2 | H21C | 17.6° | 60.0° |
| S1 | C1 | C2 | H22C | 108.5° | 60.0° |
| C1 | C2 | N18 | H21C | 120.0° | 120.0° |
| C1 | C2 | N18 | H22C | 113.9° | 120.0° |
| C1 | C2 | N18 | C20 | 61.7° | 66.0° |
| C1 | C2 | N18 | C19 | 178.9° | 170.0° |
| C2 | C1 | H11C | H12C | 118.7° | 120.1° |
| C1 | C2 | H21C | H22C | 115.0° | 120.1° |
| C2 | N18 | C20 | C19 | 116.6° | 124.0° |
| N18 | C2 | C1 | H11C | 102.4° | 60.0° |
| N18 | C2 | C1 | H12C | 19.0° | 60.0° |
| N18 | C2 | H21C | H22C | 115.0° | 119.9° |
| C2 | N18 | C20 | H201 | 28.9° | 60.0° |
| C2 | N18 | C20 | H202 | 148.9° | 180.0° |
| C2 | N18 | C20 | H203 | 91.1° | 60.0° |
| C2 | N18 | C19 | H191 | 137.2° | 60.0° |
| C2 | N18 | C19 | H192 | 102.8° | 179.9° |
| C2 | N18 | C19 | H193 | 17.2° | 59.9° |
| C20 | N18 | C2 | H21C | 178.3° | 54.0° |
| C20 | N18 | C2 | H22C | 52.1° | 173.9° |
| N18 | C20 | H201 | H202 | 120.0° | 120.0° |
| N18 | C20 | H201 | H203 | 120.0° | 120.0° |
| N18 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | N18 | C19 | H191 | 14.8° | 176.1° |
| C20 | N18 | C19 | H192 | 134.8° | 56.0° |
| C20 | N18 | C19 | H193 | 105.1° | 64.0° |
| C19 | N18 | C2 | H21C | 61.1° | 70.0° |
| C19 | N18 | C2 | H22C | 65.0° | 50.0° |
| C19 | N18 | C20 | H201 | 145.5° | 63.9° |
| C19 | N18 | C20 | H202 | 94.5° | 56.0° |
| C19 | N18 | C20 | H203 | 25.5° | 176.0° |
| N18 | C19 | H191 | H192 | 120.0° | 120.1° |
| N18 | C19 | H191 | H193 | 120.0° | 119.9° |
| N18 | C19 | H192 | H193 | 120.0° | 120.0° |
| CB | CG | CD2 | CD1 | 168.4° | 179.8° |
| CB | CG | CD2 | CE2 | 171.0° | 180.0° |
| CB | CG | CD1 | CE1 | 174.4° | 179.8° |
| CG | CB | HB1C | HB2C | 118.7° | 120.0° |
| CB | CG | CD2 | HD2 | 8.9° | 0.0° |
| CB | CG | CD1 | HD1 | 5.6° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 1.6° | 0.0° |
| CD2 | CG | CD1 | CE1 | 5.2° | 0.5° |
| CD2 | CG | CB | HB1C | 113.5° | 30.0° |
| CD2 | CG | CB | HB2C | 7.8° | 150.1° |
| CD2 | CG | CD1 | HD1 | 174.7° | 179.7° |
| CG | CD2 | CE2 | HE2 | 178.4° | 180.0° |
| CD1 | CG | CD2 | CE2 | 2.6° | 0.3° |
| CG | CD1 | CE1 | CZ | 3.8° | 0.5° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.8° |
| CD1 | CG | CB | HB1C | 77.8° | 149.7° |
| CD1 | CG | CB | HB2C | 160.9° | 29.7° |
| CD1 | CG | CD2 | HD2 | 177.4° | 179.8° |
| CG | CD1 | CE1 | HE1 | 176.2° | 179.8° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 3.1° | 0.0° |
| CD2 | CE2 | CZ | HZ | 176.9° | 180.0° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.3° |
| CZ | CE2 | CD2 | HD2 | 178.4° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.7° | 180.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 176.1° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 176.9° | 180.0° |
| CD1 | CE1 | CZ | HZ | 179.7° | 179.8° |
| H11C | C1 | C2 | H21C | 137.6° | 180.0° |
| H11C | C1 | C2 | H22C | 11.4° | 60.0° |
| H12C | C1 | C2 | H21C | 101.0° | 60.0° |
| H12C | C1 | C2 | H22C | 132.9° | 180.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| HD2 | CD2 | CE2 | HE2 | 1.6° | 0.0° |
| HD1 | CD1 | CE1 | HE1 | 3.9° | 0.0° |
| HE2 | CE2 | CZ | HZ | 3.1° | 0.1° |
| HZ | CZ | CE1 | HE1 | 0.4° | 0.1° |
