ZTG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | SI | sing | 1.86Å | 1.88Å | |
| C1 | SI | sing | 1.86Å | 1.90Å | |
| C1 | C3 | sing | 1.53Å | 1.48Å | |
| SI | OC | sing | 1.63Å | 1.66Å | |
| SI | C4 | sing | 1.86Å | 1.86Å | |
| OH | CZ | sing | 1.36Å | 1.38Å | |
| CE2 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 1.42Å | Aromatic |
| CZ | CE1 | sing | 1.39Å | 1.36Å | Aromatic |
| CL | CE1 | sing | 1.74Å | 1.74Å | |
| CE1 | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| OC | CB | sing | 1.43Å | 1.39Å | |
| CD1 | CG | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C6 | sing | 1.53Å | 1.51Å | |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C9 | 109.2° | 109.4° |
| C8 | C7 | SI | 120.3° | 109.5° |
| C8 | C7 | H71 | 105.2° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C9 | C7 | SI | 113.3° | 109.5° |
| C9 | C7 | H71 | 104.9° | 109.5° |
| C7 | C9 | H93 | 109.5° | 109.4° |
| C7 | C9 | H91 | 109.4° | 109.5° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| C2 | C1 | SI | 112.8° | 109.5° |
| C2 | C1 | C3 | 109.3° | 109.5° |
| C2 | C1 | H11 | 107.3° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.4° | 109.5° |
| C1 | C2 | H21 | 109.4° | 109.5° |
| C7 | SI | C1 | 109.6° | 109.5° |
| C7 | SI | OC | 108.6° | 109.4° |
| C7 | SI | C4 | 113.9° | 109.4° |
| SI | C7 | H71 | 102.1° | 109.5° |
| SI | C1 | C3 | 115.2° | 109.4° |
| C1 | SI | OC | 102.7° | 109.5° |
| C1 | SI | C4 | 112.3° | 109.5° |
| SI | C1 | H11 | 103.8° | 109.5° |
| C3 | C1 | H11 | 107.9° | 109.5° |
| C1 | C3 | H33 | 109.5° | 109.5° |
| C1 | C3 | H31 | 109.5° | 109.5° |
| C1 | C3 | H32 | 109.5° | 109.4° |
| OC | SI | C4 | 109.1° | 109.5° |
| SI | OC | CB | 125.5° | 114.0° |
| SI | C4 | C5 | 110.2° | 109.4° |
| SI | C4 | C6 | 114.8° | 109.4° |
| SI | C4 | H41 | 102.2° | 109.5° |
| OH | CZ | CE2 | 117.9° | 120.1° |
| OH | CZ | CE1 | 121.7° | 120.0° |
| CZ | OH | HH | 109.5° | 114.0° |
| CZ | CE2 | CD2 | 118.3° | 119.9° |
| CE2 | CZ | CE1 | 120.4° | 119.9° |
| CZ | CE2 | HE2 | 120.9° | 120.0° |
| CE2 | CD2 | CG | 119.7° | 120.1° |
| CE2 | CD2 | HD2 | 120.2° | 120.0° |
| CD2 | CE2 | HE2 | 120.8° | 120.1° |
| CZ | CE1 | CL | 118.6° | 120.1° |
| CZ | CE1 | CD1 | 121.5° | 119.9° |
| CL | CE1 | CD1 | 119.9° | 120.0° |
| CE1 | CD1 | CG | 118.8° | 120.0° |
| CE1 | CD1 | HD1 | 120.6° | 120.0° |
| CD2 | CG | CD1 | 120.9° | 120.1° |
| CD2 | CG | CB | 118.9° | 119.9° |
| CG | CD2 | HD2 | 120.1° | 120.0° |
| OC | CB | CG | 112.4° | 109.5° |
| OC | CB | CA | 108.6° | 109.4° |
| OC | CB | HB2 | 109.3° | 109.5° |
| CD1 | CG | CB | 120.0° | 120.0° |
| CG | CD1 | HD1 | 120.6° | 120.0° |
| C5 | C4 | C6 | 117.6° | 109.5° |
| C5 | C4 | H41 | 105.2° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| C4 | C5 | H53 | 109.5° | 109.5° |
| C6 | C4 | H41 | 105.1° | 109.5° |
| C4 | C6 | H61 | 109.5° | 109.5° |
| C4 | C6 | H62 | 109.5° | 109.4° |
| C4 | C6 | H63 | 109.5° | 109.5° |
| CG | CB | CA | 111.4° | 109.5° |
| CG | CB | HB2 | 107.6° | 109.5° |
| CB | CA | N | 111.8° | 109.4° |
| CB | CA | C | 111.4° | 109.5° |
| CB | CA | HA | 105.6° | 109.5° |
| CA | CB | HB2 | 107.3° | 109.5° |
| N | CA | C | 114.5° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 106.8° | 109.5° |
| CA | C | O | 119.3° | 120.0° |
| C | CA | HA | 106.0° | 109.5° |
| CA | C | OXT | 118.6° | 120.0° |
| O | C | OXT | 122.1° | 120.0° |
| H | N | H2 | 109.4° | 110.9° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H21 | 109.5° | 109.5° |
| H23 | C2 | H21 | 109.5° | 109.4° |
| H33 | C3 | H31 | 109.5° | 109.5° |
| H33 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H51 | C5 | H52 | 109.4° | 109.4° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| H82 | C8 | H83 | 109.4° | 109.5° |
| H82 | C8 | H81 | 109.4° | 109.4° |
| H83 | C8 | H81 | 109.5° | 109.5° |
| H93 | C9 | H91 | 109.5° | 109.5° |
| H93 | C9 | H92 | 109.5° | 109.4° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C9 | SI | 137.0° | 120.0° |
| C8 | C7 | C9 | H71 | 112.4° | 120.0° |
| C8 | C7 | SI | H71 | 115.9° | 120.0° |
| C8 | C7 | SI | C1 | 78.9° | 53.3° |
| C8 | C7 | SI | OC | 169.6° | 66.6° |
| C8 | C7 | SI | C4 | 47.9° | 173.4° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H81 | 120.0° | 120.0° |
| C7 | C8 | H83 | H81 | 120.0° | 120.0° |
| C8 | C7 | C9 | H93 | 180.0° | 172.8° |
| C8 | C7 | C9 | H91 | 60.0° | 52.8° |
| C8 | C7 | C9 | H92 | 60.0° | 67.2° |
| C9 | C7 | SI | H71 | 112.3° | 120.0° |
| C9 | C7 | SI | C1 | 52.8° | 66.6° |
| C9 | C7 | SI | OC | 58.6° | 173.4° |
| C9 | C7 | SI | C4 | 179.6° | 53.4° |
| C9 | C7 | C8 | H82 | 180.0° | 47.6° |
| C9 | C7 | C8 | H83 | 60.0° | 72.4° |
| C9 | C7 | C8 | H81 | 60.0° | 167.6° |
| C7 | C9 | H93 | H91 | 120.0° | 120.0° |
| C7 | C9 | H93 | H92 | 120.0° | 120.0° |
| C7 | C9 | H91 | H92 | 120.0° | 120.0° |
| C2 | C1 | SI | C7 | 76.0° | 74.1° |
| C2 | C1 | SI | C3 | 126.5° | 120.0° |
| C2 | C1 | SI | H11 | 115.8° | 120.0° |
| C2 | C1 | C3 | H11 | 116.3° | 120.0° |
| C2 | C1 | SI | OC | 168.7° | 45.9° |
| C2 | C1 | SI | C4 | 51.7° | 165.9° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| C1 | C2 | H22 | H21 | 120.0° | 120.0° |
| C1 | C2 | H23 | H21 | 120.0° | 120.0° |
| C2 | C1 | C3 | H33 | 180.0° | 64.5° |
| C2 | C1 | C3 | H31 | 60.0° | 175.4° |
| C2 | C1 | C3 | H32 | 60.0° | 55.5° |
| C7 | SI | C1 | OC | 115.2° | 120.0° |
| C7 | SI | C1 | C4 | 127.7° | 120.0° |
| C7 | SI | C1 | C3 | 157.5° | 165.9° |
| C7 | SI | OC | C4 | 124.7° | 120.0° |
| C7 | SI | OC | CB | 56.9° | 68.4° |
| C7 | SI | C4 | C5 | 43.5° | 77.5° |
| C7 | SI | C4 | C6 | 178.9° | 162.5° |
| C7 | SI | C1 | H11 | 39.8° | 46.0° |
| C7 | SI | C4 | H41 | 67.9° | 42.5° |
| SI | C7 | C8 | H82 | 46.5° | 72.3° |
| SI | C7 | C8 | H83 | 166.5° | 167.6° |
| SI | C7 | C8 | H81 | 73.5° | 47.6° |
| SI | C7 | C9 | H93 | 43.0° | 67.2° |
| SI | C7 | C9 | H91 | 77.0° | 172.8° |
| SI | C7 | C9 | H92 | 163.0° | 52.7° |
| SI | C1 | C3 | H11 | 115.4° | 120.0° |
| C1 | SI | OC | C4 | 119.3° | 120.1° |
| C1 | SI | OC | CB | 172.9° | 171.6° |
| C1 | SI | C4 | C5 | 168.9° | 42.5° |
| C1 | SI | C4 | C6 | 55.7° | 77.4° |
| SI | C1 | C2 | H22 | 180.0° | 53.7° |
| SI | C1 | C2 | H23 | 60.0° | 173.7° |
| SI | C1 | C2 | H21 | 60.0° | 66.3° |
| SI | C1 | C3 | H33 | 51.7° | 55.5° |
| SI | C1 | C3 | H31 | 68.3° | 64.6° |
| SI | C1 | C3 | H32 | 171.7° | 175.5° |
| C1 | SI | C4 | H41 | 57.4° | 162.5° |
| C1 | SI | C7 | H71 | 165.1° | 173.4° |
| C3 | C1 | SI | OC | 42.2° | 74.1° |
| C3 | C1 | SI | C4 | 74.8° | 45.9° |
| C3 | C1 | C2 | H22 | 50.4° | 66.3° |
| C3 | C1 | C2 | H23 | 69.6° | 53.7° |
| C3 | C1 | C2 | H21 | 170.4° | 173.7° |
| C1 | C3 | H33 | H31 | 120.0° | 120.1° |
| C1 | C3 | H33 | H32 | 120.0° | 120.0° |
| C1 | C3 | H31 | H32 | 120.0° | 119.9° |
| OC | SI | C4 | C5 | 78.0° | 162.6° |
| OC | SI | C4 | C6 | 57.4° | 42.6° |
| SI | OC | CB | CG | 111.9° | 86.5° |
| SI | OC | CB | CA | 124.4° | 153.5° |
| SI | OC | CB | HB2 | 7.6° | 33.5° |
| OC | SI | C1 | H11 | 75.5° | 165.9° |
| OC | SI | C4 | H41 | 170.6° | 77.5° |
| OC | SI | C7 | H71 | 53.7° | 53.4° |
| C4 | SI | OC | CB | 67.8° | 51.6° |
| SI | C4 | C5 | C6 | 134.1° | 119.9° |
| SI | C4 | C5 | H41 | 109.5° | 120.0° |
| SI | C4 | C6 | H41 | 111.5° | 120.0° |
| C4 | SI | C1 | H11 | 167.5° | 74.0° |
| SI | C4 | C5 | H51 | 180.0° | 53.8° |
| SI | C4 | C5 | H52 | 60.0° | 173.8° |
| SI | C4 | C5 | H53 | 60.0° | 66.2° |
| SI | C4 | C6 | H61 | 180.0° | 52.8° |
| SI | C4 | C6 | H62 | 60.0° | 67.2° |
| SI | C4 | C6 | H63 | 60.0° | 172.8° |
| C4 | SI | C7 | H71 | 68.1° | 66.6° |
| OH | CZ | CE2 | CE1 | 179.5° | 179.8° |
| OH | CZ | CE2 | CD2 | 176.4° | 180.0° |
| OH | CZ | CE1 | CL | 5.4° | 0.1° |
| OH | CZ | CE1 | CD1 | 174.8° | 180.0° |
| OH | CZ | CE2 | HE2 | 3.6° | 0.2° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.8° |
| CE2 | CZ | CE1 | CL | 175.1° | 179.8° |
| CE2 | CZ | CE1 | CD1 | 4.7° | 0.2° |
| CZ | CE2 | CD2 | CG | 1.6° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 178.4° | 180.0° |
| CE2 | CZ | OH | HH | 180.0° | 89.9° |
| CD2 | CE2 | CZ | CE1 | 3.2° | 0.2° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CD1 | 4.9° | 0.3° |
| CE2 | CD2 | CG | CB | 170.9° | 180.0° |
| CZ | CE1 | CL | CD1 | 179.8° | 179.9° |
| CZ | CE1 | CD1 | CG | 1.3° | 0.1° |
| CZ | CE1 | CD1 | HD1 | 178.7° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 176.9° | 180.0° |
| CE1 | CZ | OH | HH | 0.5° | 90.2° |
| CL | CE1 | CD1 | CG | 178.4° | 180.0° |
| CL | CE1 | CD1 | HD1 | 1.6° | 0.0° |
| CE1 | CD1 | CG | CD2 | 3.5° | 0.3° |
| CE1 | CD1 | CG | HD1 | 180.0° | 180.0° |
| CE1 | CD1 | CG | CB | 172.3° | 180.0° |
| CD2 | CG | CB | OC | 41.3° | 44.8° |
| CD2 | CG | CD1 | CB | 175.8° | 179.7° |
| CD2 | CG | CB | CA | 80.9° | 75.1° |
| CD2 | CG | CB | HB2 | 161.7° | 164.8° |
| CD2 | CG | CD1 | HD1 | 176.5° | 179.7° |
| CG | CD2 | CE2 | HE2 | 178.4° | 179.8° |
| OC | CB | CG | CD1 | 142.8° | 135.4° |
| OC | CB | CG | CA | 122.2° | 120.0° |
| OC | CB | CG | HB2 | 120.4° | 120.0° |
| OC | CB | CA | HB2 | 118.1° | 120.0° |
| OC | CB | CA | N | 57.4° | 179.5° |
| OC | CB | CA | C | 173.0° | 60.6° |
| OC | CB | CA | HA | 58.4° | 59.5° |
| CD1 | CG | CB | CA | 95.0° | 104.6° |
| CD1 | CG | CB | HB2 | 22.4° | 15.4° |
| CD1 | CG | CD2 | HD2 | 175.1° | 179.7° |
| C5 | C4 | C6 | H41 | 116.5° | 120.0° |
| C4 | C5 | H51 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 120.0° |
| C5 | C4 | C6 | H61 | 48.0° | 67.2° |
| C5 | C4 | C6 | H62 | 168.0° | 172.8° |
| C5 | C4 | C6 | H63 | 72.0° | 52.9° |
| C6 | C4 | C5 | H51 | 45.9° | 66.1° |
| C6 | C4 | C5 | H52 | 74.1° | 53.8° |
| C6 | C4 | C5 | H53 | 165.9° | 173.8° |
| C4 | C6 | H61 | H62 | 120.0° | 120.0° |
| C4 | C6 | H61 | H63 | 120.0° | 120.0° |
| C4 | C6 | H62 | H63 | 120.0° | 120.0° |
| CG | CB | CA | HB2 | 117.6° | 120.0° |
| CG | CB | CA | N | 66.9° | 59.5° |
| CG | CB | CA | C | 62.6° | 179.4° |
| CG | CB | CA | HA | 177.3° | 60.5° |
| CB | CG | CD1 | HD1 | 7.7° | 0.0° |
| CB | CG | CD2 | HD2 | 9.1° | 0.0° |
| CB | CA | N | C | 127.9° | 119.9° |
| CB | CA | N | HA | 115.1° | 120.0° |
| CB | CA | C | HA | 114.4° | 120.1° |
| CB | CA | C | O | 58.6° | 99.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.1° |
| CB | CA | C | OXT | 118.6° | 81.1° |
| N | CA | C | HA | 117.5° | 120.0° |
| N | CA | C | O | 173.3° | 21.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 175.5° | 60.5° |
| N | CA | C | OXT | 9.5° | 159.0° |
| CA | C | O | OXT | 177.1° | 180.0° |
| C | CA | N | H | 52.1° | 56.1° |
| C | CA | N | H2 | 172.1° | 180.0° |
| C | CA | CB | HB2 | 55.0° | 59.4° |
| CA | C | OXT | HXT | 177.1° | 175.1° |
| O | C | CA | HA | 55.8° | 141.0° |
| O | C | OXT | HXT | 0.0° | 4.9° |
| H | N | CA | HA | 64.9° | 63.9° |
| H2 | N | CA | HA | 55.1° | 60.0° |
| HA | CA | CB | HB2 | 59.7° | 179.4° |
| HA | CA | C | OXT | 127.0° | 39.0° |
| HD2 | CD2 | CE2 | HE2 | 1.6° | 0.2° |
| H11 | C1 | C2 | H22 | 66.3° | 173.7° |
| H11 | C1 | C2 | H23 | 173.7° | 66.3° |
| H11 | C1 | C2 | H21 | 53.7° | 53.7° |
| H11 | C1 | C3 | H33 | 63.7° | 175.4° |
| H11 | C1 | C3 | H31 | 176.3° | 55.4° |
| H11 | C1 | C3 | H32 | 56.4° | 64.5° |
| H22 | C2 | H23 | H21 | 120.0° | 120.0° |
| H33 | C3 | H31 | H32 | 120.0° | 120.0° |
| H41 | C4 | C5 | H51 | 70.5° | 173.8° |
| H41 | C4 | C5 | H52 | 169.5° | 66.3° |
| H41 | C4 | C5 | H53 | 49.5° | 53.8° |
| H41 | C4 | C6 | H61 | 68.5° | 172.8° |
| H41 | C4 | C6 | H62 | 51.5° | 52.8° |
| H41 | C4 | C6 | H63 | 171.5° | 67.2° |
| H51 | C5 | H52 | H53 | 120.0° | 120.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | C8 | H82 | 67.8° | 167.6° |
| H71 | C7 | C8 | H83 | 52.2° | 47.6° |
| H71 | C7 | C8 | H81 | 172.2° | 72.5° |
| H71 | C7 | C9 | H93 | 67.6° | 52.9° |
| H71 | C7 | C9 | H91 | 172.4° | 67.1° |
| H71 | C7 | C9 | H92 | 52.4° | 172.8° |
| H82 | C8 | H83 | H81 | 120.0° | 120.0° |
| H93 | C9 | H91 | H92 | 120.0° | 120.0° |
