G90
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C12 | trip | 1.14Å | 1.15Å | |
| C12 | C7 | sing | 1.43Å | 1.27Å | |
| C7 | C6 | sing | 1.40Å | 1.49Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O1 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | C1 | sing | 1.53Å | 1.53Å | |
| CA | C2 | sing | 1.53Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CG | CD2 | sing | 1.46Å | 1.48Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.39Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.47Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.40Å | Aromatic |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CH2 | CZ2 | doub | 1.38Å | 1.40Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.35Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C2 | H23C | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C12 | C7 | 177.3° | 180.0° |
| C12 | C7 | C6 | 120.7° | 120.2° |
| C12 | C7 | C8 | 119.5° | 120.2° |
| C6 | C7 | C8 | 119.7° | 119.6° |
| C7 | C6 | C11 | 118.3° | 119.7° |
| C7 | C6 | O2 | 121.4° | 120.1° |
| C7 | C8 | C9 | 119.6° | 119.9° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| C11 | C6 | O2 | 120.3° | 120.1° |
| C6 | C11 | C10 | 120.1° | 120.0° |
| C6 | C11 | H11 | 119.9° | 119.9° |
| C6 | O2 | C5 | 124.1° | 117.0° |
| C11 | C10 | C9 | 121.5° | 120.4° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C11 | C10 | H10 | 119.2° | 119.7° |
| C10 | C9 | C8 | 120.7° | 120.3° |
| C9 | C10 | H10 | 119.2° | 119.8° |
| C10 | C9 | H9 | 119.6° | 119.9° |
| C9 | C8 | H8 | 120.2° | 120.1° |
| C8 | C9 | H9 | 119.7° | 119.8° |
| O2 | C5 | C4 | 109.7° | 109.4° |
| O2 | C5 | H51C | 109.4° | 109.5° |
| O2 | C5 | H52C | 109.4° | 109.5° |
| C5 | C4 | O1 | 110.8° | 109.5° |
| C5 | C4 | C3 | 110.0° | 109.4° |
| C4 | C5 | H51C | 109.4° | 109.5° |
| C4 | C5 | H52C | 109.4° | 109.4° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| O1 | C4 | C3 | 109.7° | 109.5° |
| O1 | C4 | H4 | 109.6° | 109.5° |
| C4 | O1 | H1 | 109.5° | 114.1° |
| C4 | C3 | N | 110.6° | 109.5° |
| C3 | C4 | H4 | 108.4° | 109.4° |
| C4 | C3 | H31C | 109.2° | 109.4° |
| C4 | C3 | H32C | 109.2° | 109.5° |
| C3 | N | CA | 122.2° | 111.0° |
| N | C3 | H31C | 109.2° | 109.5° |
| N | C3 | H32C | 109.2° | 109.5° |
| C3 | N | H | 106.2° | 111.0° |
| N | CA | C1 | 109.0° | 109.5° |
| N | CA | C2 | 110.0° | 109.4° |
| N | CA | CB | 105.2° | 109.5° |
| CA | N | H | 106.2° | 111.0° |
| C1 | CA | C2 | 109.8° | 109.5° |
| C1 | CA | CB | 112.5° | 109.5° |
| CA | C1 | H11C | 109.5° | 109.5° |
| CA | C1 | H12C | 109.4° | 109.5° |
| CA | C1 | H13C | 109.5° | 109.5° |
| C2 | CA | CB | 110.1° | 109.5° |
| CA | C2 | H21C | 109.5° | 109.4° |
| CA | C2 | H22C | 109.4° | 109.4° |
| CA | C2 | H23C | 109.5° | 109.5° |
| CA | CB | CG | 114.4° | 109.5° |
| CA | CB | HB1C | 108.2° | 109.4° |
| CA | CB | HB2C | 108.3° | 109.5° |
| CB | CG | CD2 | 128.0° | 126.5° |
| CB | CG | CD1 | 127.0° | 126.5° |
| CG | CB | HB1C | 108.2° | 109.5° |
| CG | CB | HB2C | 108.2° | 109.5° |
| CD2 | CG | CD1 | 105.0° | 107.0° |
| CG | CD2 | CE3 | 133.0° | 134.1° |
| CG | CD2 | CE2 | 105.7° | 106.0° |
| CG | CD1 | NE1 | 111.1° | 110.0° |
| CG | CD1 | HD1 | 124.4° | 125.0° |
| CE3 | CD2 | CE2 | 121.4° | 119.9° |
| CD2 | CE3 | CZ3 | 117.8° | 119.8° |
| CD2 | CE3 | HE3 | 121.1° | 120.1° |
| CD2 | CE2 | CZ2 | 118.5° | 119.3° |
| CD2 | CE2 | NE1 | 106.9° | 107.1° |
| CE3 | CZ3 | CH2 | 121.5° | 120.5° |
| CZ3 | CE3 | HE3 | 121.1° | 120.1° |
| CE3 | CZ3 | HZ3 | 119.3° | 119.8° |
| CZ3 | CH2 | CZ2 | 121.7° | 120.7° |
| CH2 | CZ3 | HZ3 | 119.2° | 119.7° |
| CZ3 | CH2 | HH2 | 119.1° | 119.6° |
| CH2 | CZ2 | CE2 | 119.1° | 119.8° |
| CZ2 | CH2 | HH2 | 119.2° | 119.7° |
| CH2 | CZ2 | HZ2 | 120.4° | 120.1° |
| CZ2 | CE2 | NE1 | 134.6° | 133.5° |
| CE2 | CZ2 | HZ2 | 120.4° | 120.2° |
| CE2 | NE1 | CD1 | 111.3° | 109.9° |
| CE2 | NE1 | HE1 | 124.3° | 125.0° |
| NE1 | CD1 | HD1 | 124.4° | 125.0° |
| CD1 | NE1 | HE1 | 124.3° | 125.1° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.4° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H21C | C2 | H23C | 109.5° | 109.5° |
| H22C | C2 | H23C | 109.5° | 109.5° |
| HB1C | CB | HB2C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C12 | C7 | C6 | 120.1° | 32.1° |
| N1 | C12 | C7 | C8 | 59.6° | 148.2° |
| C12 | C7 | C6 | C8 | 179.7° | 179.7° |
| C12 | C7 | C6 | C11 | 179.2° | 180.0° |
| C12 | C7 | C6 | O2 | 1.0° | 0.1° |
| C12 | C7 | C8 | C9 | 179.4° | 179.8° |
| C12 | C7 | C8 | H8 | 0.5° | 0.0° |
| C7 | C6 | C11 | O2 | 178.2° | 179.9° |
| C7 | C6 | C11 | C10 | 0.7° | 0.1° |
| C6 | C7 | C8 | C9 | 0.3° | 0.5° |
| C7 | C6 | O2 | C5 | 90.4° | 180.0° |
| C6 | C7 | C8 | H8 | 179.8° | 179.7° |
| C7 | C6 | C11 | H11 | 179.3° | 180.0° |
| C8 | C7 | C6 | C11 | 0.6° | 0.3° |
| C8 | C7 | C6 | O2 | 178.7° | 179.8° |
| C7 | C8 | C9 | C10 | 0.1° | 0.5° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | H9 | 179.9° | 179.7° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.5° | 0.1° |
| C11 | C6 | O2 | C5 | 91.5° | 0.1° |
| C6 | C11 | C10 | H10 | 179.5° | 180.0° |
| O2 | C6 | C11 | C10 | 178.8° | 180.0° |
| C6 | O2 | C5 | C4 | 158.6° | 180.0° |
| O2 | C6 | C11 | H11 | 1.2° | 0.1° |
| C6 | O2 | C5 | H51C | 38.6° | 60.0° |
| C6 | O2 | C5 | H52C | 81.4° | 60.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.2° | 0.3° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.8° |
| C10 | C9 | C8 | H8 | 179.9° | 179.7° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C8 | C9 | C10 | H10 | 179.8° | 179.8° |
| O2 | C5 | C4 | H51C | 120.0° | 120.0° |
| O2 | C5 | C4 | H52C | 120.0° | 120.0° |
| O2 | C5 | C4 | O1 | 89.1° | 65.1° |
| O2 | C5 | C4 | C3 | 32.3° | 175.0° |
| O2 | C5 | H51C | H52C | 119.9° | 120.1° |
| O2 | C5 | C4 | H4 | 150.6° | 55.0° |
| C5 | C4 | O1 | C3 | 121.6° | 120.0° |
| C5 | C4 | O1 | H4 | 119.5° | 120.1° |
| C5 | C4 | C3 | H4 | 118.2° | 120.0° |
| C5 | C4 | C3 | N | 169.3° | 180.0° |
| C4 | C5 | H51C | H52C | 119.9° | 120.0° |
| C5 | C4 | O1 | H1 | 180.0° | 59.9° |
| C5 | C4 | C3 | H31C | 49.1° | 60.0° |
| C5 | C4 | C3 | H32C | 70.6° | 60.0° |
| O1 | C4 | C3 | H4 | 119.6° | 120.0° |
| O1 | C4 | C3 | N | 47.1° | 60.0° |
| O1 | C4 | C5 | H51C | 150.9° | 54.9° |
| O1 | C4 | C5 | H52C | 30.9° | 174.9° |
| O1 | C4 | C3 | H31C | 73.0° | 60.0° |
| O1 | C4 | C3 | H32C | 167.3° | 179.9° |
| C4 | C3 | N | H31C | 120.1° | 120.0° |
| C4 | C3 | N | H32C | 120.2° | 120.0° |
| C4 | C3 | N | CA | 171.3° | 180.0° |
| C3 | C4 | C5 | H51C | 87.7° | 65.0° |
| C3 | C4 | C5 | H52C | 152.4° | 55.0° |
| C3 | C4 | O1 | H1 | 58.3° | 60.0° |
| C4 | C3 | H31C | H32C | 119.5° | 120.0° |
| C4 | C3 | N | H | 49.5° | 56.1° |
| C3 | N | CA | H | 121.8° | 124.0° |
| C3 | N | CA | C1 | 54.2° | 60.0° |
| C3 | N | CA | C2 | 66.4° | 60.0° |
| C3 | N | CA | CB | 175.1° | 180.0° |
| N | C3 | C4 | H4 | 72.5° | 60.0° |
| N | C3 | H31C | H32C | 119.5° | 120.0° |
| N | CA | C1 | C2 | 120.6° | 119.9° |
| N | CA | C1 | CB | 116.4° | 120.0° |
| N | CA | C2 | CB | 115.5° | 120.0° |
| N | CA | CB | CG | 168.6° | 180.0° |
| CA | N | C3 | H31C | 68.5° | 60.0° |
| CA | N | C3 | H32C | 51.1° | 60.0° |
| N | CA | C1 | H11C | 180.0° | 59.9° |
| N | CA | C1 | H12C | 60.0° | 180.0° |
| N | CA | C1 | H13C | 60.0° | 60.1° |
| N | CA | C2 | H21C | 180.0° | 60.0° |
| N | CA | C2 | H22C | 60.0° | 180.0° |
| N | CA | C2 | H23C | 60.0° | 60.0° |
| N | CA | CB | HB1C | 47.9° | 60.0° |
| N | CA | CB | HB2C | 70.6° | 60.0° |
| C1 | CA | C2 | CB | 124.5° | 120.0° |
| C1 | CA | CB | CG | 50.0° | 60.0° |
| C1 | CA | N | H | 67.6° | 176.0° |
| CA | C1 | H11C | H12C | 120.0° | 120.0° |
| CA | C1 | H11C | H13C | 120.0° | 120.0° |
| CA | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | CA | C2 | H21C | 59.9° | 180.0° |
| C1 | CA | C2 | H22C | 180.0° | 60.0° |
| C1 | CA | C2 | H23C | 60.1° | 60.0° |
| C1 | CA | CB | HB1C | 70.7° | 180.0° |
| C1 | CA | CB | HB2C | 170.7° | 60.0° |
| C2 | CA | CB | CG | 72.9° | 60.0° |
| C2 | CA | N | H | 171.9° | 64.0° |
| C2 | CA | C1 | H11C | 59.4° | 60.0° |
| C2 | CA | C1 | H12C | 60.6° | 60.1° |
| C2 | CA | C1 | H13C | 179.4° | 180.0° |
| CA | C2 | H21C | H22C | 120.0° | 120.0° |
| CA | C2 | H21C | H23C | 120.0° | 120.0° |
| CA | C2 | H22C | H23C | 120.0° | 120.0° |
| C2 | CA | CB | HB1C | 166.4° | 60.0° |
| C2 | CA | CB | HB2C | 47.9° | 180.0° |
| CA | CB | CG | HB1C | 120.7° | 120.0° |
| CA | CB | CG | HB2C | 120.7° | 120.0° |
| CA | CB | CG | CD2 | 93.0° | 85.0° |
| CA | CB | CG | CD1 | 87.0° | 95.4° |
| CB | CA | N | H | 53.3° | 56.0° |
| CB | CA | C1 | H11C | 63.6° | 180.0° |
| CB | CA | C1 | H12C | 176.4° | 60.0° |
| CB | CA | C1 | H13C | 56.4° | 60.0° |
| CB | CA | C2 | H21C | 64.5° | 60.0° |
| CB | CA | C2 | H22C | 55.5° | 60.0° |
| CB | CA | C2 | H23C | 175.5° | 180.0° |
| CA | CB | HB1C | HB2C | 117.8° | 120.0° |
| CB | CG | CD2 | CD1 | 180.0° | 179.7° |
| CB | CG | CD2 | CE3 | 0.0° | 0.0° |
| CB | CG | CD2 | CE2 | 179.7° | 180.0° |
| CB | CG | CD1 | NE1 | 179.9° | 179.8° |
| CG | CB | HB1C | HB2C | 117.8° | 120.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.1° |
| CG | CD2 | CE3 | CE2 | 179.7° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 179.9° | 180.0° |
| CG | CD2 | CE2 | CZ2 | 179.9° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.3° | 0.0° |
| CD2 | CG | CD1 | NE1 | 0.2° | 0.5° |
| CD2 | CG | CB | HB1C | 27.7° | 34.9° |
| CD2 | CG | CB | HB2C | 146.2° | 155.0° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.8° |
| CG | CD2 | CE3 | HE3 | 0.1° | 0.1° |
| CD1 | CG | CD2 | CE3 | 180.0° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.3° |
| CG | CD1 | NE1 | CE2 | 0.0° | 0.5° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.8° |
| CD1 | CG | CB | HB1C | 152.2° | 144.7° |
| CD1 | CG | CB | HB2C | 33.7° | 24.6° |
| CG | CD1 | NE1 | HE1 | 180.0° | 179.8° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.0° | 0.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.4° | 0.0° |
| CE3 | CD2 | CE2 | NE1 | 179.9° | 180.0° |
| CD2 | CE3 | CZ3 | HZ3 | 180.0° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.2° | 0.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.3° | 0.1° |
| CD2 | CE2 | CZ2 | NE1 | 179.4° | 180.0° |
| CD2 | CE2 | NE1 | CD1 | 0.2° | 0.3° |
| CE2 | CD2 | CE3 | HE3 | 179.8° | 179.9° |
| CD2 | CE2 | CZ2 | HZ2 | 179.6° | 179.9° |
| CD2 | CE2 | NE1 | HE1 | 179.8° | 180.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.0° |
| CE3 | CZ3 | CH2 | HH2 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | CE2 | 0.2° | 0.1° |
| CH2 | CZ3 | CE3 | HE3 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.8° | 179.9° |
| CH2 | CZ2 | CE2 | HZ2 | 180.0° | 179.9° |
| CH2 | CZ2 | CE2 | NE1 | 179.7° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 180.0° | 180.0° |
| CZ2 | CE2 | NE1 | CD1 | 179.7° | 179.7° |
| CE2 | CZ2 | CH2 | HH2 | 179.8° | 179.9° |
| CZ2 | CE2 | NE1 | HE1 | 0.4° | 0.1° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 179.8° |
| CE2 | NE1 | CD1 | HD1 | 180.0° | 179.7° |
| NE1 | CE2 | CZ2 | HZ2 | 0.3° | 0.1° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| H11 | C11 | C10 | H10 | 0.5° | 0.1° |
| H10 | C10 | C9 | H9 | 0.2° | 0.1° |
| H51C | C5 | C4 | H4 | 30.6° | 175.0° |
| H52C | C5 | C4 | H4 | 89.3° | 65.0° |
| H4 | C4 | O1 | H1 | 60.5° | 180.0° |
| H4 | C4 | C3 | H31C | 167.3° | 180.0° |
| H4 | C4 | C3 | H32C | 47.7° | 60.0° |
| H31C | C3 | N | H | 169.7° | 176.0° |
| H32C | C3 | N | H | 70.6° | 64.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H21C | C2 | H22C | H23C | 120.0° | 120.1° |
| HD1 | CD1 | NE1 | HE1 | 0.0° | 0.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.0° | 0.1° |
| HZ3 | CZ3 | CH2 | HH2 | 0.0° | 0.1° |
| HH2 | CH2 | CZ2 | HZ2 | 0.2° | 0.1° |
