REC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | doub | 1.21Å | 1.24Å | |
| C13 | O15 | sing | 1.35Å | 1.27Å | |
| C13 | C4 | sing | 1.49Å | 1.47Å | |
| C4 | N5 | doub | 1.28Å | 1.28Å | |
| C4 | C3 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.45Å | 1.48Å | |
| C3 | C16 | doub | 1.33Å | 1.36Å | |
| C3 | C2 | sing | 1.52Å | 1.53Å | |
| C2 | S1 | sing | 1.82Å | 1.77Å | |
| S1 | C6 | sing | 1.81Å | 1.76Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | N10 | sing | 1.46Å | 1.46Å | |
| C8 | O9 | doub | 1.21Å | 1.21Å | |
| C8 | OXT | sing | 1.34Å | 1.37Å | |
| N10 | C11 | sing | 1.35Å | 1.34Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C11 | CA1 | sing | 1.51Å | 1.50Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CG1 | CD1 | sing | 1.53Å | 1.53Å | |
| CD1 | CE1 | sing | 1.53Å | 1.55Å | |
| CE1 | NZ1 | sing | 1.47Å | 1.47Å | |
| CE1 | CZ1 | sing | 1.51Å | 1.49Å | |
| CZ1 | OH1 | doub | 1.21Å | 1.22Å | |
| CZ1 | O | sing | 1.34Å | 1.23Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.08Å | 1.08Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| OXT | HOT | sing | 0.97Å | 0.95Å | |
| CA1 | HA11 | sing | 1.09Å | 1.10Å | |
| CA1 | HA12 | sing | 1.09Å | 1.10Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| NZ1 | HZ11 | sing | 1.01Å | 1.00Å | |
| NZ1 | HZ12 | sing | 1.01Å | 1.00Å | |
| O | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | O15 | 120.3° | 120.0° |
| O14 | C13 | C4 | 119.0° | 120.0° |
| O15 | C13 | C4 | 120.7° | 120.0° |
| C13 | O15 | H15 | 109.5° | 117.0° |
| C13 | C4 | N5 | 114.6° | 116.8° |
| C13 | C4 | C3 | 124.4° | 116.9° |
| N5 | C4 | C3 | 120.9° | 126.3° |
| C4 | N5 | C6 | 132.4° | 127.7° |
| C4 | C3 | C16 | 122.7° | 120.3° |
| C4 | C3 | C2 | 118.3° | 119.3° |
| N5 | C6 | S1 | 112.0° | 110.4° |
| N5 | C6 | C7 | 106.7° | 109.3° |
| N5 | C6 | H6 | 110.7° | 109.3° |
| C16 | C3 | C2 | 119.0° | 120.4° |
| C3 | C16 | H161 | 108.9° | 120.0° |
| C3 | C16 | H162 | 125.6° | 120.0° |
| C3 | C2 | S1 | 111.7° | 106.7° |
| C3 | C2 | H2C1 | 108.8° | 110.0° |
| C3 | C2 | H2C2 | 108.3° | 110.0° |
| C2 | S1 | C6 | 107.5° | 101.5° |
| S1 | C2 | H2C1 | 108.7° | 110.0° |
| S1 | C2 | H2C2 | 108.2° | 110.0° |
| S1 | C6 | C7 | 112.3° | 109.3° |
| S1 | C6 | H6 | 104.9° | 109.4° |
| C6 | C7 | C8 | 109.8° | 109.4° |
| C6 | C7 | N10 | 110.9° | 109.4° |
| C7 | C6 | H6 | 110.3° | 109.2° |
| C6 | C7 | H7 | 106.9° | 109.5° |
| C8 | C7 | N10 | 104.9° | 109.5° |
| C7 | C8 | O9 | 123.6° | 120.0° |
| C7 | C8 | OXT | 119.8° | 120.0° |
| C8 | C7 | H7 | 112.7° | 109.5° |
| C7 | N10 | C11 | 127.8° | 120.0° |
| N10 | C7 | H7 | 111.7° | 109.5° |
| C7 | N10 | H10 | 116.1° | 120.0° |
| O9 | C8 | OXT | 116.6° | 120.0° |
| C8 | OXT | HOT | 109.5° | 117.0° |
| N10 | C11 | O12 | 126.8° | 120.0° |
| N10 | C11 | CA1 | 113.5° | 120.0° |
| C11 | N10 | H10 | 116.1° | 120.0° |
| O12 | C11 | CA1 | 119.7° | 120.0° |
| C11 | CA1 | CB1 | 111.4° | 109.5° |
| C11 | CA1 | HA11 | 108.8° | 109.5° |
| C11 | CA1 | HA12 | 108.4° | 109.5° |
| CA1 | CB1 | CG1 | 112.7° | 109.5° |
| CB1 | CA1 | HA11 | 108.8° | 109.5° |
| CB1 | CA1 | HA12 | 108.4° | 109.5° |
| CA1 | CB1 | HB11 | 108.4° | 109.5° |
| CA1 | CB1 | HB12 | 107.7° | 109.4° |
| CB1 | CG1 | CD1 | 106.9° | 109.5° |
| CG1 | CB1 | HB11 | 108.4° | 109.5° |
| CG1 | CB1 | HB12 | 107.7° | 109.5° |
| CB1 | CG1 | HG11 | 110.3° | 109.5° |
| CB1 | CG1 | HG12 | 110.9° | 109.5° |
| CG1 | CD1 | CE1 | 118.2° | 109.5° |
| CD1 | CG1 | HG11 | 110.3° | 109.5° |
| CD1 | CG1 | HG12 | 110.9° | 109.4° |
| CG1 | CD1 | HD11 | 106.7° | 109.5° |
| CG1 | CD1 | HD12 | 104.6° | 109.4° |
| CD1 | CE1 | NZ1 | 109.2° | 109.4° |
| CD1 | CE1 | CZ1 | 113.1° | 109.4° |
| CE1 | CD1 | HD11 | 106.6° | 109.5° |
| CE1 | CD1 | HD12 | 104.6° | 109.5° |
| CD1 | CE1 | HE1 | 106.4° | 109.5° |
| NZ1 | CE1 | CZ1 | 106.9° | 109.5° |
| NZ1 | CE1 | HE1 | 112.6° | 109.5° |
| CE1 | NZ1 | HZ11 | 109.5° | 111.0° |
| CE1 | NZ1 | HZ12 | 109.5° | 111.0° |
| CE1 | CZ1 | OH1 | 117.5° | 120.0° |
| CE1 | CZ1 | O | 122.1° | 120.0° |
| CZ1 | CE1 | HE1 | 108.7° | 109.4° |
| OH1 | CZ1 | O | 120.3° | 120.0° |
| CZ1 | O | H | 109.5° | 117.0° |
| H161 | C16 | H162 | 125.5° | 120.0° |
| H2C1 | C2 | H2C2 | 111.2° | 110.0° |
| HA11 | CA1 | HA12 | 111.0° | 109.4° |
| HB11 | CB1 | HB12 | 112.0° | 109.5° |
| HG11 | CG1 | HG12 | 107.5° | 109.5° |
| HD11 | CD1 | HD12 | 116.6° | 109.5° |
| HZ11 | NZ1 | HZ12 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | O15 | C4 | 179.4° | 179.7° |
| O14 | C13 | C4 | N5 | 160.4° | 173.3° |
| O14 | C13 | C4 | C3 | 18.0° | 6.9° |
| O14 | C13 | O15 | H15 | 0.0° | 0.0° |
| O15 | C13 | C4 | N5 | 19.0° | 7.1° |
| O15 | C13 | C4 | C3 | 162.6° | 172.7° |
| C13 | C4 | N5 | C3 | 178.4° | 179.8° |
| C13 | C4 | N5 | C6 | 161.6° | 178.9° |
| C13 | C4 | C3 | C16 | 15.9° | 12.5° |
| C13 | C4 | C3 | C2 | 164.0° | 167.5° |
| C4 | C13 | O15 | H15 | 179.4° | 179.7° |
| N5 | C4 | C3 | C16 | 165.8° | 167.3° |
| N5 | C4 | C3 | C2 | 14.3° | 12.7° |
| C4 | N5 | C6 | S1 | 16.4° | 23.2° |
| C4 | N5 | C6 | C7 | 139.7° | 143.4° |
| C4 | N5 | C6 | H6 | 100.2° | 97.1° |
| C3 | C4 | N5 | C6 | 19.9° | 1.3° |
| C4 | C3 | C16 | C2 | 179.8° | 180.0° |
| C4 | C3 | C2 | S1 | 42.8° | 42.0° |
| C4 | C3 | C16 | H161 | 180.0° | 7.2° |
| C4 | C3 | C16 | H162 | 0.0° | 172.7° |
| C4 | C3 | C2 | H2C1 | 77.2° | 161.3° |
| C4 | C3 | C2 | H2C2 | 161.9° | 77.3° |
| N5 | C6 | S1 | C2 | 14.9° | 47.1° |
| N5 | C6 | S1 | C7 | 120.1° | 120.2° |
| N5 | C6 | S1 | H6 | 120.1° | 120.3° |
| N5 | C6 | C7 | H6 | 120.3° | 119.5° |
| N5 | C6 | C7 | C8 | 40.9° | 175.0° |
| N5 | C6 | C7 | N10 | 74.6° | 55.0° |
| N5 | C6 | C7 | H7 | 163.4° | 65.0° |
| C16 | C3 | C2 | S1 | 137.4° | 138.0° |
| C3 | C16 | H161 | H162 | 180.0° | 179.9° |
| C16 | C3 | C2 | H2C1 | 102.7° | 18.7° |
| C16 | C3 | C2 | H2C2 | 18.3° | 102.7° |
| C3 | C2 | S1 | H2C1 | 120.0° | 119.3° |
| C3 | C2 | S1 | H2C2 | 119.1° | 119.3° |
| C3 | C2 | S1 | C6 | 40.4° | 55.4° |
| C2 | C3 | C16 | H161 | 0.2° | 172.8° |
| C2 | C3 | C16 | H162 | 179.8° | 7.3° |
| C3 | C2 | H2C1 | H2C2 | 119.1° | 121.4° |
| C2 | S1 | C6 | C7 | 105.2° | 167.3° |
| C2 | S1 | C6 | H6 | 135.0° | 73.2° |
| S1 | C2 | H2C1 | H2C2 | 119.1° | 121.3° |
| S1 | C6 | C7 | H6 | 116.6° | 119.6° |
| S1 | C6 | C7 | C8 | 164.0° | 64.1° |
| S1 | C6 | C7 | N10 | 48.5° | 175.9° |
| C6 | S1 | C2 | H2C1 | 79.6° | 174.7° |
| C6 | S1 | C2 | H2C2 | 159.5° | 63.9° |
| S1 | C6 | C7 | H7 | 73.4° | 55.9° |
| C6 | C7 | C8 | N10 | 119.2° | 119.9° |
| C6 | C7 | C8 | H7 | 119.1° | 120.0° |
| C6 | C7 | N10 | H7 | 119.1° | 120.0° |
| C6 | C7 | C8 | O9 | 115.4° | 120.0° |
| C6 | C7 | C8 | OXT | 66.8° | 60.0° |
| C6 | C7 | N10 | C11 | 112.7° | 155.0° |
| C6 | C7 | N10 | H10 | 67.3° | 25.0° |
| C8 | C7 | N10 | H7 | 122.4° | 120.1° |
| C7 | C8 | O9 | OXT | 177.9° | 180.0° |
| C8 | C7 | N10 | C11 | 128.8° | 85.0° |
| C8 | C7 | C6 | H6 | 79.4° | 55.5° |
| C8 | C7 | N10 | H10 | 51.2° | 94.9° |
| C7 | C8 | OXT | HOT | 178.0° | 180.0° |
| N10 | C7 | C8 | O9 | 3.9° | 0.1° |
| N10 | C7 | C8 | OXT | 174.0° | 180.0° |
| C7 | N10 | C11 | H10 | 180.0° | 180.0° |
| C7 | N10 | C11 | O12 | 3.5° | 0.0° |
| C7 | N10 | C11 | CA1 | 178.9° | 180.0° |
| N10 | C7 | C6 | H6 | 165.1° | 64.5° |
| O9 | C8 | C7 | H7 | 125.6° | 120.0° |
| O9 | C8 | OXT | HOT | 0.0° | 0.0° |
| OXT | C8 | C7 | H7 | 52.3° | 59.9° |
| N10 | C11 | O12 | CA1 | 177.5° | 180.0° |
| N10 | C11 | CA1 | CB1 | 141.7° | 180.0° |
| C11 | N10 | C7 | H7 | 6.4° | 35.0° |
| N10 | C11 | CA1 | HA11 | 21.7° | 60.0° |
| N10 | C11 | CA1 | HA12 | 99.1° | 60.0° |
| O12 | C11 | CA1 | CB1 | 40.4° | 0.0° |
| O12 | C11 | N10 | H10 | 176.5° | 180.0° |
| O12 | C11 | CA1 | HA11 | 160.5° | 120.0° |
| O12 | C11 | CA1 | HA12 | 78.8° | 120.0° |
| C11 | CA1 | CB1 | HA11 | 120.0° | 120.0° |
| C11 | CA1 | CB1 | HA12 | 119.2° | 120.0° |
| C11 | CA1 | CB1 | CG1 | 138.9° | 180.0° |
| CA1 | C11 | N10 | H10 | 1.1° | 0.0° |
| C11 | CA1 | HA11 | HA12 | 119.2° | 120.0° |
| C11 | CA1 | CB1 | HB11 | 18.9° | 60.0° |
| C11 | CA1 | CB1 | HB12 | 102.5° | 60.0° |
| CA1 | CB1 | CG1 | HB11 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 118.6° | 119.9° |
| CA1 | CB1 | CG1 | CD1 | 172.5° | 180.0° |
| CB1 | CA1 | HA11 | HA12 | 119.2° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 118.7° | 120.0° |
| CA1 | CB1 | CG1 | HG11 | 67.5° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 51.5° | 60.1° |
| CB1 | CG1 | CD1 | HG11 | 120.0° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 121.0° | 120.0° |
| CB1 | CG1 | CD1 | CE1 | 153.7° | 180.0° |
| CG1 | CB1 | CA1 | HA11 | 101.1° | 60.0° |
| CG1 | CB1 | CA1 | HA12 | 19.6° | 60.0° |
| CG1 | CB1 | HB11 | HB12 | 118.7° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 121.0° | 120.0° |
| CB1 | CG1 | CD1 | HD11 | 86.3° | 60.0° |
| CB1 | CG1 | CD1 | HD12 | 37.9° | 60.0° |
| CG1 | CD1 | CE1 | HD11 | 120.0° | 120.0° |
| CG1 | CD1 | CE1 | HD12 | 115.9° | 119.9° |
| CG1 | CD1 | CE1 | NZ1 | 166.7° | 65.0° |
| CG1 | CD1 | CE1 | CZ1 | 74.3° | 175.0° |
| CD1 | CG1 | CB1 | HB11 | 52.5° | 60.0° |
| CD1 | CG1 | CB1 | HB12 | 68.9° | 60.1° |
| CD1 | CG1 | HG11 | HG12 | 121.0° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 116.4° | 120.0° |
| CG1 | CD1 | CE1 | HE1 | 44.9° | 55.0° |
| CD1 | CE1 | NZ1 | CZ1 | 122.7° | 120.0° |
| CD1 | CE1 | NZ1 | HE1 | 118.0° | 120.0° |
| CD1 | CE1 | CZ1 | HE1 | 117.9° | 120.0° |
| CD1 | CE1 | CZ1 | OH1 | 94.4° | 100.0° |
| CD1 | CE1 | CZ1 | O | 87.8° | 80.0° |
| CE1 | CD1 | CG1 | HG11 | 33.7° | 60.0° |
| CE1 | CD1 | CG1 | HG12 | 85.3° | 60.0° |
| CE1 | CD1 | HD11 | HD12 | 116.4° | 120.0° |
| CD1 | CE1 | NZ1 | HZ11 | 102.1° | 60.0° |
| CD1 | CE1 | NZ1 | HZ12 | 17.8° | 176.1° |
| NZ1 | CE1 | CZ1 | HE1 | 121.8° | 120.1° |
| NZ1 | CE1 | CZ1 | OH1 | 25.8° | 20.0° |
| NZ1 | CE1 | CZ1 | O | 151.9° | 160.0° |
| NZ1 | CE1 | CD1 | HD11 | 46.7° | 55.0° |
| NZ1 | CE1 | CD1 | HD12 | 77.4° | 175.0° |
| CE1 | NZ1 | HZ11 | HZ12 | 120.0° | 123.9° |
| CE1 | CZ1 | OH1 | O | 177.8° | 180.0° |
| CZ1 | CE1 | CD1 | HD11 | 165.7° | 65.0° |
| CZ1 | CE1 | CD1 | HD12 | 41.5° | 55.0° |
| CZ1 | CE1 | NZ1 | HZ11 | 135.1° | 59.9° |
| CZ1 | CE1 | NZ1 | HZ12 | 104.9° | 64.0° |
| CE1 | CZ1 | O | H | 177.7° | 180.0° |
| OH1 | CZ1 | CE1 | HE1 | 147.6° | 140.0° |
| OH1 | CZ1 | O | H | 0.0° | 0.1° |
| O | CZ1 | CE1 | HE1 | 30.1° | 40.0° |
| H6 | C6 | C7 | H7 | 43.2° | 175.4° |
| H7 | C7 | N10 | H10 | 173.6° | 145.0° |
| HA11 | CA1 | CB1 | HB11 | 138.9° | 180.0° |
| HA11 | CA1 | CB1 | HB12 | 17.5° | 60.0° |
| HA12 | CA1 | CB1 | HB11 | 100.3° | 60.0° |
| HA12 | CA1 | CB1 | HB12 | 138.3° | 180.0° |
| HB11 | CB1 | CG1 | HG11 | 172.5° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 68.5° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 51.1° | 59.9° |
| HB12 | CB1 | CG1 | HG12 | 170.1° | 180.0° |
| HG11 | CG1 | CD1 | HD11 | 153.7° | 180.0° |
| HG11 | CG1 | CD1 | HD12 | 82.1° | 60.0° |
| HG12 | CG1 | CD1 | HD11 | 34.7° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 158.9° | NaN° |
| HD11 | CD1 | CE1 | HE1 | 75.1° | 175.0° |
| HD12 | CD1 | CE1 | HE1 | 160.8° | 64.9° |
| HE1 | CE1 | NZ1 | HZ11 | 15.8° | 179.9° |
| HE1 | CE1 | NZ1 | HZ12 | 135.8° | 56.0° |
