YT4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAP | doub | 1.38Å | 1.38Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CB | SG | sing | 1.81Å | 1.82Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CAP | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | CAI | sing | 1.35Å | 1.44Å | |
| CAB | OAA | sing | 1.45Å | 1.40Å | |
| OAA | C | sing | 1.34Å | 1.38Å | |
| C | O | doub | 1.21Å | 1.19Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| OAK | CAI | sing | 1.35Å | 1.39Å | |
| OAK | CAL | sing | 1.45Å | 1.40Å | |
| CAR | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.51Å | 1.52Å | |
| CAI | OAJ | doub | 1.21Å | 1.19Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| SG | H7 | sing | 1.34Å | 1.30Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.08Å | 1.08Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| CAR | H14 | sing | 1.08Å | 1.08Å | |
| CAQ | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAO | CAN | 119.8° | 120.1° |
| CAO | CAP | CAR | 120.3° | 120.0° |
| CAP | CAO | H12 | 120.1° | 120.0° |
| CAO | CAP | H13 | 119.9° | 120.0° |
| CAO | CAN | CAM | 119.9° | 120.0° |
| CAO | CAN | H11 | 120.1° | 120.0° |
| CAN | CAO | H12 | 120.1° | 120.0° |
| SG | CB | CA | 114.1° | 109.5° |
| SG | CB | H5 | 108.3° | 109.5° |
| SG | CB | H6 | 108.3° | 109.5° |
| CB | SG | H7 | 102.0° | 103.0° |
| CB | CA | N | 110.2° | 109.5° |
| CB | CA | C | 106.8° | 109.5° |
| CB | CA | H4 | 109.6° | 109.5° |
| CA | CB | H5 | 108.3° | 109.5° |
| CA | CB | H6 | 108.3° | 109.4° |
| CAP | CAR | CAQ | 119.9° | 120.0° |
| CAR | CAP | H13 | 119.9° | 120.0° |
| CAP | CAR | H14 | 120.0° | 120.0° |
| CAN | CAM | CAQ | 120.2° | 120.0° |
| CAN | CAM | CAL | 119.6° | 120.0° |
| CAM | CAN | H11 | 120.0° | 120.0° |
| CA | N | CAI | 119.4° | 120.0° |
| N | CA | C | 110.0° | 109.5° |
| N | CA | H4 | 110.7° | 109.5° |
| CA | N | H8 | 120.3° | 120.0° |
| N | CAI | OAK | 114.5° | 119.9° |
| N | CAI | OAJ | 121.8° | 120.0° |
| CAI | N | H8 | 120.3° | 120.1° |
| CAB | OAA | C | 115.7° | 117.0° |
| OAA | CAB | H1 | 109.5° | 109.5° |
| OAA | CAB | H2 | 109.5° | 109.5° |
| OAA | CAB | H3 | 109.5° | 109.4° |
| OAA | C | O | 121.8° | 120.0° |
| OAA | C | CA | 115.8° | 120.0° |
| O | C | CA | 122.3° | 120.0° |
| C | CA | H4 | 109.6° | 109.5° |
| CAI | OAK | CAL | 116.4° | 117.0° |
| OAK | CAI | OAJ | 123.7° | 120.0° |
| OAK | CAL | CAM | 104.6° | 109.5° |
| OAK | CAL | H9 | 110.7° | 109.4° |
| OAK | CAL | H10 | 110.7° | 109.5° |
| CAR | CAQ | CAM | 119.9° | 120.0° |
| CAQ | CAR | H14 | 120.1° | 120.0° |
| CAR | CAQ | H15 | 120.1° | 120.0° |
| CAQ | CAM | CAL | 120.2° | 120.1° |
| CAM | CAQ | H15 | 120.1° | 120.0° |
| CAM | CAL | H9 | 110.7° | 109.5° |
| CAM | CAL | H10 | 110.7° | 109.5° |
| H1 | CAB | H2 | 109.5° | 109.4° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.4° | 109.5° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H9 | CAL | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAO | CAN | H12 | 180.0° | 180.0° |
| CAO | CAP | CAR | H13 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAM | 0.1° | 0.0° |
| CAO | CAP | CAR | CAQ | 0.0° | 0.0° |
| CAP | CAO | CAN | H11 | 179.8° | 179.9° |
| CAO | CAP | CAR | H14 | 179.9° | 180.0° |
| CAN | CAO | CAP | CAR | 0.1° | 0.0° |
| CAO | CAN | CAM | H11 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAQ | 0.6° | 0.0° |
| CAO | CAN | CAM | CAL | 179.3° | 179.7° |
| CAN | CAO | CAP | H13 | 179.9° | 179.9° |
| SG | CB | CA | H5 | 120.7° | 120.0° |
| SG | CB | CA | H6 | 120.7° | 120.0° |
| SG | CB | CA | N | 64.9° | 60.0° |
| SG | CB | CA | C | 175.7° | 180.0° |
| SG | CB | CA | H4 | 57.1° | 60.0° |
| SG | CB | H5 | H6 | 117.9° | 120.0° |
| CB | CA | N | C | 117.4° | 120.0° |
| CB | CA | N | H4 | 121.3° | 120.0° |
| CB | CA | N | CAI | 127.0° | 85.0° |
| CB | CA | C | OAA | 130.2° | 60.0° |
| CB | CA | C | O | 48.7° | 120.0° |
| CB | CA | C | H4 | 118.6° | 120.0° |
| CA | CB | H5 | H6 | 117.9° | 119.9° |
| CA | CB | SG | H7 | 180.0° | 180.0° |
| CB | CA | N | H8 | 53.0° | 95.0° |
| CAP | CAR | CAQ | H14 | 180.0° | 180.0° |
| CAP | CAR | CAQ | CAM | 0.5° | 0.0° |
| CAR | CAP | CAO | H12 | 179.9° | 180.0° |
| CAP | CAR | CAQ | H15 | 179.5° | 179.7° |
| CAN | CAM | CAL | OAK | 56.7° | 89.8° |
| CAN | CAM | CAQ | CAR | 0.8° | 0.0° |
| CAN | CAM | CAQ | CAL | 178.7° | 179.7° |
| CAN | CAM | CAL | H9 | 176.0° | 150.3° |
| CAN | CAM | CAL | H10 | 62.5° | 30.3° |
| CAM | CAN | CAO | H12 | 179.9° | 180.0° |
| CAN | CAM | CAQ | H15 | 179.2° | 179.7° |
| CA | N | CAI | H8 | 180.0° | 180.0° |
| N | CA | C | OAA | 10.7° | 180.0° |
| N | CA | C | O | 168.3° | 0.0° |
| N | CA | C | H4 | 121.9° | 120.0° |
| CA | N | CAI | OAK | 171.2° | 180.0° |
| CA | N | CAI | OAJ | 9.2° | 0.0° |
| N | CA | CB | H5 | 174.4° | 60.0° |
| N | CA | CB | H6 | 55.8° | 180.0° |
| CAI | N | CA | C | 115.5° | 155.0° |
| N | CAI | OAK | OAJ | 179.6° | 180.0° |
| N | CAI | OAK | CAL | 170.6° | 180.0° |
| CAI | N | CA | H4 | 5.7° | 35.0° |
| CAB | OAA | C | O | 2.5° | 0.0° |
| CAB | OAA | C | CA | 178.5° | 180.0° |
| OAA | CAB | H1 | H2 | 120.0° | 120.0° |
| OAA | CAB | H1 | H3 | 120.0° | 120.0° |
| OAA | CAB | H2 | H3 | 120.0° | 120.0° |
| OAA | C | O | CA | 178.9° | 180.0° |
| C | OAA | CAB | H1 | 180.0° | 60.0° |
| C | OAA | CAB | H2 | 60.0° | 60.0° |
| C | OAA | CAB | H3 | 60.0° | 180.0° |
| OAA | C | CA | H4 | 111.2° | 60.0° |
| O | C | CA | H4 | 69.9° | 120.0° |
| C | CA | CB | H5 | 55.0° | 60.0° |
| C | CA | CB | H6 | 63.6° | 60.0° |
| C | CA | N | H8 | 64.5° | 25.0° |
| CAI | OAK | CAL | CAM | 140.9° | 180.0° |
| OAK | CAI | N | H8 | 8.8° | 0.0° |
| CAI | OAK | CAL | H9 | 21.7° | 60.0° |
| CAI | OAK | CAL | H10 | 99.9° | 59.9° |
| OAK | CAL | CAM | CAQ | 122.0° | 90.0° |
| OAK | CAL | CAM | H9 | 119.2° | 120.0° |
| OAK | CAL | CAM | H10 | 119.2° | 120.1° |
| CAL | OAK | CAI | OAJ | 9.8° | 0.0° |
| OAK | CAL | H9 | H10 | 122.3° | 120.0° |
| CAR | CAQ | CAM | H15 | 180.0° | 179.7° |
| CAR | CAQ | CAM | CAL | 179.5° | 179.7° |
| CAQ | CAR | CAP | H13 | 180.0° | 179.9° |
| CAQ | CAM | CAL | H9 | 2.8° | 30.0° |
| CAQ | CAM | CAL | H10 | 118.8° | 150.0° |
| CAQ | CAM | CAN | H11 | 179.4° | 180.0° |
| CAM | CAQ | CAR | H14 | 179.5° | 180.0° |
| CAM | CAL | H9 | H10 | 122.3° | 120.0° |
| CAL | CAM | CAN | H11 | 0.7° | 0.2° |
| CAL | CAM | CAQ | H15 | 0.5° | 0.0° |
| OAJ | CAI | N | H8 | 170.8° | 180.0° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H4 | CA | CB | H5 | 63.6° | 180.0° |
| H4 | CA | CB | H6 | 177.8° | 60.0° |
| H4 | CA | N | H8 | 174.3° | 145.0° |
| H5 | CB | SG | H7 | 59.3° | 60.0° |
| H6 | CB | SG | H7 | 59.3° | 60.0° |
| H11 | CAN | CAO | H12 | 0.2° | 0.1° |
| H12 | CAO | CAP | H13 | 0.1° | 0.1° |
| H13 | CAP | CAR | H14 | 0.1° | 0.1° |
| H14 | CAR | CAQ | H15 | 0.5° | 0.3° |
